# systems

unique_id: 9dfdfc2339b40cb77fe2462a2e94267a
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2-1_0_0_1--0.28_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/M.Cr2P2Se6-2-1_0_0_1--0.28_-0.33", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2-1_0_0_1--0.28_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 177.83580107672827, "binding_energy_gs": 20.10956416840285, "distance": 3.240197473841521}


unique_id: 24d1c87d049852bad07c10f48f00d277
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2--1_0_0_-1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/Cr2P2Se6-2--1_0_0_-1--0.67_-0.33", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2--1_0_0_-1--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 70, "layer_group": "p31m", "space_group_number": 157, "space_group": "P31m", "equivalent_atoms": "[ 0  0  2  3  4  4  4  7  7  7 10 10 12 13 14 14 14 17 17 17]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 174.3702620355024, "binding_energy_gs": 16.644077791778088, "distance": 3.6175000000000033}


unique_id: 20aab8bbdab62220cacce627d06d4d32
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2-1_0_0_1-0.61_-0.39", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/Cr2P2Se6-2-1_0_0_1-0.61_-0.39", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2-1_0_0_1-0.61_-0.39", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  0  2  3  4  5  5  7  8  8 10 10 12 13 14 15 15 17 18 18]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 174.3302867996645, "binding_energy_gs": 16.604164221865965, "distance": 3.597750000000003}


unique_id: b27fb5555b064a6da7a915049c2c166d
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2-1_0_0_1-0.39_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/M.Cr2P2Se6-2-1_0_0_1-0.39_0", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2-1_0_0_1-0.39_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  0  2  3  4  5  4  7  8  7 10 10 12 13 14 15 14 17 18 17]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 177.61165959923898, "binding_energy_gs": 19.885531147137076, "distance": 3.2500724738415183}


unique_id: 7ffa9f595e41b09a34fb311048a4152b
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2--1_0_0_-1-Iz-0.11_0.44", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/Cr2P2Se6-2--1_0_0_-1-Iz-0.11_0.44", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2--1_0_0_-1-Iz-0.11_0.44", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 0 2 3 4 5 5 7 8 8 0 0 2 3 4 5 5 7 8 8]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 177.5153680533883, "binding_energy_gs": 19.790124314083844, "distance": 3.37247524555117}


unique_id: 88d7a31daaa3aa0a5b6859a942b05175
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2-1_0_0_1-Iz-0.39_-0.22", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/Cr2P2Se6-2-1_0_0_1-Iz-0.39_-0.22", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2-1_0_0_1-Iz-0.39_-0.22", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 2 3 6 5 4 9 8 7]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 177.4515702655784, "binding_energy_gs": 19.725186528023126, "distance": 3.4119752455511705}


unique_id: 418a8a27a9b0b4084b51333c682e3f95
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/M.Cr2P2Se6-2--1_0_0_-1-0.79_0.58", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2--1_0_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 0 1 2 3 4 5 6 7 8 9]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 174.33805258765503, "binding_energy_gs": 16.6115428114136, "distance": 3.5265724738415187}


unique_id: e88bcc6d972e25ddd05b9c538c996392
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2--1_0_0_-1-0.11_0.44", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/M.Cr2P2Se6-2--1_0_0_-1-0.11_0.44", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2--1_0_0_-1-0.11_0.44", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 0 2 3 4 5 5 7 8 8 0 0 2 3 4 5 5 7 8 8]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 176.82446119711267, "binding_energy_gs": 19.098471729204093, "distance": 3.3191974738415198}


unique_id: ea5b9eb9ec905205a591612b604ac019
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2--1_0_0_-1-0.72_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/M.Cr2P2Se6-2--1_0_0_-1-0.72_0.67", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2--1_0_0_-1-0.72_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 0 2 3 4 5 4 7 8 7 0 0 2 3 4 5 4 7 8 7]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 177.04675683690482, "binding_energy_gs": 19.320304003709744, "distance": 3.3093224738415206}


unique_id: 65ec84ed2bff9dac7ee06701a8ee8a7c
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2-1_0_0_1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/Cr2P2Se6-2-1_0_0_1-Iz--0.33_-0.67", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2-1_0_0_1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 3 4 4 4 7 7 7 1 0 2 3 4 4 4 7 7 7]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 176.97699553925392, "binding_energy_gs": 19.25054552233559, "distance": 3.451475245551171}


unique_id: b84d41519398af63174c57a20f628a19
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2-1_-1_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/M.Cr2P2Se6-2-1_-1_0_-1-0.5_0", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2-1_-1_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 0 1 2 3 4 5 6 7 8 9]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 176.9109297533152, "binding_energy_gs": 19.184708846675743, "distance": 3.3093224738415206}


unique_id: d05341a7328afa1f4b01bf7d50a68d04
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2--1_0_0_-1--0.44_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/M.Cr2P2Se6-2--1_0_0_-1--0.44_-0.33", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2--1_0_0_-1--0.44_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 0 2 3 4 5 4 7 8 7 0 0 2 3 4 5 4 7 8 7]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 176.823307366282, "binding_energy_gs": 19.09717796343634, "distance": 3.3191974738415198}


unique_id: ee8fb3cb786232afeef9b0c13e09764d
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/Cr2P2Se6-2-1_0_0_1-0.5_0", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  0  2  3  4  5  4  7  8  7 10 10 12 13 14 15 14 17 18 17]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 176.34623383596318, "binding_energy_gs": 18.62103286423363, "distance": 3.4200000000000053}


unique_id: f6d8fe5bb04d666675e06e6eed0e7542
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2--1_0_0_-1-Iz-0.33_0.05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/Cr2P2Se6-2--1_0_0_-1-Iz-0.33_0.05", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2--1_0_0_-1-Iz-0.33_0.05", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 0 2 3 4 4 6 7 7 9 0 0 2 3 4 4 6 7 7 9]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 176.44765023599558, "binding_energy_gs": 18.720922648243956, "distance": 3.4909752455511693}


unique_id: 3876c36cf0612412ac163adea9221f0b
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/M.Cr2P2Se6-2-1_0_0_1-0.79_0.58", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 2 3 6 5 4 9 8 7]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 175.49017834019645, "binding_energy_gs": 17.76393220435461, "distance": 3.4179474738415205}


unique_id: 45333d5a9b6aa7b2dcd61f222cc542da
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2-1_-1_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/M.Cr2P2Se6-2-1_-1_0_-1-0.79_0.58", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2-1_-1_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 0 1 2 3 4 5 6 7 8 9]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 175.22440434184094, "binding_energy_gs": 17.498146566604415, "distance": 3.44757247384152}


unique_id: 9f0e1349ac54372033400e67136e228e
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2-1_0_0_1-Iz-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/Cr2P2Se6-2-1_0_0_1-Iz-0_0", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2-1_0_0_1-Iz-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 79, "layer_group": "p-62m", "space_group_number": 189, "space_group": "P-62m", "equivalent_atoms": "[0 0 2 3 4 4 4 7 7 7 0 0 2 3 4 4 4 7 7 7]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 175.16633673280572, "binding_energy_gs": 17.440030126007287, "distance": 3.569975245551168}


unique_id: 9a6e0f68a0a050d276495fb95b71270b
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2--1_1_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/M.Cr2P2Se6-2--1_1_0_1-0.79_0.58", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2--1_1_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 2 3 6 5 4 9 8 7]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 174.65566583824966, "binding_energy_gs": 16.929415684958943, "distance": 3.4969474738415176}


unique_id: 30084b18e869e96668c3a423e78e9cb7
username: jensj
key_value_pairs:
  {"uid": "Cr2P2Se6-2897f2d181b7-2--1_1_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrPSe3/Cr2P2Se6-2897f2d181b7/M.Cr2P2Se6-2--1_1_0_1-0.5_0", "stoichiometry": "ABC3", "monolayer_uid": "Cr2P2Se6-2897f2d181b7", "bilayer_uid": "Cr2P2Se6-2897f2d181b7-2--1_1_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 0 2 3 4 5 4 7 8 7 0 0 2 3 4 5 4 7 8 7]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626521, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 173.7874898365625, "binding_energy_gs": 16.060965086773383, "distance": 3.585822473841521}


unique_id: ff3838fe286dfc264826e9b103b5244e
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cr2Si2Te6-64781dd6f055", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrSiTe3/Cr2Si2Te6-64781dd6f055", "stoichiometry": "ABC3", "monolayer_uid": "Cr2Si2Te6-64781dd6f055", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 1 0 3 1 3 1 1 1 1]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626810, "ehull": 0.002117705406396886, "dynamically_stable": "Yes", "gap_pbe": 0.201, "gap_pbe_dir": 0.458, "gap_pbe_nosoc": 0.465, "gap_pbe_dir_nosoc": 0.771, "dipz": -0.0}


unique_id: cd2f13473f99843d1e2afd6a58ea9a71
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cr2Si2Te6-64781dd6f055-2-1_0_0_1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrSiTe3/Cr2Si2Te6-64781dd6f055/Cr2Si2Te6-2-1_0_0_1--0.33_-0.67", "stoichiometry": "ABC3", "monolayer_uid": "Cr2Si2Te6-64781dd6f055", "bilayer_uid": "Cr2Si2Te6-64781dd6f055-2-1_0_0_1--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 3 4 5 1 1 4 4 2 4 0 5 1 3 4 4 1 1]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626810, "gap_pbe": 0.269, "gap_pbe_dir": 0.469, "gap_pbe_nosoc": 0.532, "gap_pbe_dir_nosoc": 0.779, "dipz": 0.0, "interlayer_magnetic_exchange": 0.019348977348400354, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 145.71676713664374, "binding_energy_gs": 20.979464128300712, "distance": 3.439750000000007}


unique_id: d35932aa7a333a9f366e17beb6c9d1d1
username: jensj
key_value_pairs:
  {"uid": "Cr2Si2Te6-64781dd6f055-2--1_0_0_-1--0.3_-0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrSiTe3/Cr2Si2Te6-64781dd6f055/Cr2Si2Te6-2--1_0_0_-1--0.3_-0.68", "stoichiometry": "ABC3", "monolayer_uid": "Cr2Si2Te6-64781dd6f055", "bilayer_uid": "Cr2Si2Te6-64781dd6f055-2--1_0_0_-1--0.3_-0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626810, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 145.06055855431188, "binding_energy_gs": 20.32305176649191, "distance": 3.518750000000008}


unique_id: c0f99d941e900b8e8a558a62699b3989
username: jensj
key_value_pairs:
  {"uid": "Cr2Si2Te6-64781dd6f055-2-1_0_0_1--0.3_0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrSiTe3/Cr2Si2Te6-64781dd6f055/Cr2Si2Te6-2-1_0_0_1--0.3_0.03", "stoichiometry": "ABC3", "monolayer_uid": "Cr2Si2Te6-64781dd6f055", "bilayer_uid": "Cr2Si2Te6-64781dd6f055-2-1_0_0_1--0.3_0.03", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 4 0 5 1 3 9 8 7 6]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626810, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 144.85001072317343, "binding_energy_gs": 20.112516508107653, "distance": 3.5582500000000046}


unique_id: 65af4b4260a8e186a6fdde91d0b8c2ce
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cr2Si2Te6-64781dd6f055-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrSiTe3/Cr2Si2Te6-64781dd6f055/Cr2Si2Te6-2-1_0_0_1-0_0", "stoichiometry": "ABC3", "monolayer_uid": "Cr2Si2Te6-64781dd6f055", "bilayer_uid": "Cr2Si2Te6-64781dd6f055-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 1 0 3 4 5 1 1 4 4 0 4 0 5 1 3 4 4 1 1]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626810, "gap_pbe": 0.249, "gap_pbe_dir": 0.451, "gap_pbe_nosoc": 0.513, "gap_pbe_dir_nosoc": 0.762, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0192625606758412, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 144.2232431604645, "binding_energy_gs": 19.48576523136299, "distance": 3.5385000000000026}


unique_id: a44fc602b1e73e76120aaeb6d656650a
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cr2Si2Te6-64781dd6f055-2--1_0_0_-1--0.33_-0.71", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrSiTe3/Cr2Si2Te6-64781dd6f055/Cr2Si2Te6-2--1_0_0_-1--0.33_-0.71", "stoichiometry": "ABC3", "monolayer_uid": "Cr2Si2Te6-64781dd6f055", "bilayer_uid": "Cr2Si2Te6-64781dd6f055-2--1_0_0_-1--0.33_-0.71", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  0  3  4  5  1  7  8  4 10 11 10 13 14 15 11 17 18 14]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626810, "gap_pbe": 0.219, "gap_pbe_dir": 0.427, "gap_pbe_nosoc": 0.505, "gap_pbe_dir_nosoc": 0.736, "dipz": 0.001, "interlayer_magnetic_exchange": 0.017453029994669578, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 144.15583268652466, "binding_energy_gs": 20.4384388677551, "distance": 3.5162812500000094}


unique_id: 5e83520032d38fc4073796fc30bdfe04
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cr2Si2Te6-64781dd6f055-2-1_0_0_1-Iz-0.33_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrSiTe3/Cr2Si2Te6-64781dd6f055/Cr2Si2Te6-2-1_0_0_1-Iz-0.33_0", "stoichiometry": "ABC3", "monolayer_uid": "Cr2Si2Te6-64781dd6f055", "bilayer_uid": "Cr2Si2Te6-64781dd6f055-2-1_0_0_1-Iz-0.33_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  0  3  4  5  1  7  8  4 10 11 10 13 14 15 11 17 18 14]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626810, "gap_pbe": 0.219, "gap_pbe_dir": 0.427, "gap_pbe_nosoc": 0.505, "gap_pbe_dir_nosoc": 0.736, "dipz": -0.0, "interlayer_magnetic_exchange": 0.017311072096433122, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 144.1557686583115, "binding_energy_gs": 20.438382042754437, "distance": 3.5162813185513926}


unique_id: bfb7f1439a9ca8cf97e614ed47b2b5eb
username: jensj
key_value_pairs:
  {"uid": "Cr2Si2Te6-64781dd6f055-2--1_0_0_-1--0.34_-0.72", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrSiTe3/Cr2Si2Te6-64781dd6f055/Cr2Si2Te6-2--1_0_0_-1--0.34_-0.72", "stoichiometry": "ABC3", "monolayer_uid": "Cr2Si2Te6-64781dd6f055", "bilayer_uid": "Cr2Si2Te6-64781dd6f055-2--1_0_0_-1--0.34_-0.72", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626810, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 144.14611460252956, "binding_energy_gs": 20.428706220058544, "distance": 3.5138125000000073}


unique_id: f4e844843c31f8b2467cc2bda48488a4
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cr2Si2Te6-64781dd6f055-2-1_0_0_1--0.33_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrSiTe3/Cr2Si2Te6-64781dd6f055/Cr2Si2Te6-2-1_0_0_1--0.33_0", "stoichiometry": "ABC3", "monolayer_uid": "Cr2Si2Te6-64781dd6f055", "bilayer_uid": "Cr2Si2Te6-64781dd6f055-2-1_0_0_1--0.33_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 0 3 4 5 1 7 8 4 0 4 0 5 1 3 4 8 7 1]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626810, "gap_pbe": 0.228, "gap_pbe_dir": 0.434, "gap_pbe_nosoc": 0.486, "gap_pbe_dir_nosoc": 0.735, "dipz": 0.0, "interlayer_magnetic_exchange": 0.019791126375949375, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 143.9575219248811, "binding_energy_gs": 20.240101310862844, "distance": 3.5582500000000046}


unique_id: 1f6aec84d6526998a24e0540a004f3ac
username: jensj
key_value_pairs:
  {"uid": "Cr2Si2Te6-64781dd6f055-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrSiTe3/Cr2Si2Te6-64781dd6f055/Cr2Si2Te6-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "ABC3", "monolayer_uid": "Cr2Si2Te6-64781dd6f055", "bilayer_uid": "Cr2Si2Te6-64781dd6f055-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 36, "layer_group": "cm2e", "space_group_number": 39, "space_group": "Aem2", "equivalent_atoms": "[0 1 0 3 4 5 1 7 8 4 0 1 0 3 4 5 1 7 8 4]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626810, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 143.80882444517556, "binding_energy_gs": 19.071291109517922, "distance": 3.6076250685513926}


unique_id: 2a69dffe2629d883a4558906f12c445e
username: jensj
key_value_pairs:
  {"uid": "Cr2Si2Te6-64781dd6f055-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrSiTe3/Cr2Si2Te6-64781dd6f055/Cr2Si2Te6-2-1_0_0_1-0.79_0.58", "stoichiometry": "ABC3", "monolayer_uid": "Cr2Si2Te6-64781dd6f055", "bilayer_uid": "Cr2Si2Te6-64781dd6f055-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 4 0 5 1 3 9 8 7 6]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626810, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 142.05814386063844, "binding_energy_gs": 17.320557196083648, "distance": 3.745875000000005}


unique_id: 9fd16681a1e5c2a15a8025d3ef46aa89
username: jensj
key_value_pairs:
  {"uid": "Cr2Si2Te6-64781dd6f055-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrSiTe3/Cr2Si2Te6-64781dd6f055/Cr2Si2Te6-2-1_0_0_1-0.5_0", "stoichiometry": "ABC3", "monolayer_uid": "Cr2Si2Te6-64781dd6f055", "bilayer_uid": "Cr2Si2Te6-64781dd6f055-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 0 3 4 5 1 7 8 4 0 4 0 5 1 3 4 8 7 1]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626810, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 141.30084381455555, "binding_energy_gs": 16.56275617508429, "distance": 3.8347500000000068}


unique_id: d0ea3b877f878bb911e7f7d5ab5792a3
username: jensj
key_value_pairs:
  {"uid": "Cr2Si2Te6-64781dd6f055-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrSiTe3/Cr2Si2Te6-64781dd6f055/Cr2Si2Te6-2--1_0_0_-1-0.5_0", "stoichiometry": "ABC3", "monolayer_uid": "Cr2Si2Te6-64781dd6f055", "bilayer_uid": "Cr2Si2Te6-64781dd6f055-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626810, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 141.11461951907188, "binding_energy_gs": 16.377138814764702, "distance": 3.8446250000000006}


unique_id: 77632dbf7541cafee869f5c7c61695fc
username: jensj
key_value_pairs:
  {"uid": "Cr2Si2Te6-64781dd6f055-2--1_0_0_-1--0.33_-0.38", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrSiTe3/Cr2Si2Te6-64781dd6f055/Cr2Si2Te6-2--1_0_0_-1--0.33_-0.38", "stoichiometry": "ABC3", "monolayer_uid": "Cr2Si2Te6-64781dd6f055", "bilayer_uid": "Cr2Si2Te6-64781dd6f055-2--1_0_0_-1--0.33_-0.38", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 3 4 5 1 1 4 4 0 4 2 5 1 3 4 4 1 1]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626810, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 139.36361396892636, "binding_energy_gs": 14.626095008972499, "distance": 4.071750000000005}


unique_id: ff35136b95005d5824e9dcb8f9e97c81
username: jensj
key_value_pairs:
  {"uid": "Cr2Si2Te6-64781dd6f055-2-1_0_0_1--0.03_0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrSiTe3/Cr2Si2Te6-64781dd6f055/Cr2Si2Te6-2-1_0_0_1--0.03_0.3", "stoichiometry": "ABC3", "monolayer_uid": "Cr2Si2Te6-64781dd6f055", "bilayer_uid": "Cr2Si2Te6-64781dd6f055-2-1_0_0_1--0.03_0.3", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 4 0 5 1 3 9 8 7 6]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626810, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 139.25727384051126, "binding_energy_gs": 14.519729052947108, "distance": 4.071750000000005}


unique_id: 4cc93ba72f663f1ff0cd8a90ea29965c
username: jensj
key_value_pairs:
  {"uid": "Cr2Si2Te6-64781dd6f055-2--1_0_0_-1-0_0.29", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/CrSiTe3/Cr2Si2Te6-64781dd6f055/Cr2Si2Te6-2--1_0_0_-1-0_0.29", "stoichiometry": "ABC3", "monolayer_uid": "Cr2Si2Te6-64781dd6f055", "bilayer_uid": "Cr2Si2Te6-64781dd6f055-2--1_0_0_-1-0_0.29", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 79, "layer_group": "p-62m", "space_group_number": 189, "space_group": "P-62m", "equivalent_atoms": "[0 1 0 3 4 5 1 1 4 4 0 4 0 5 1 3 4 4 1 1]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626810, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 138.69952566145236, "binding_energy_gs": 13.961801621943271, "distance": 4.131000000000004}


unique_id: 15dc825c95c6f45dbe19bc03988a8547
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 15, "layer_group": "p2_1/m11", "space_group_number": 11, "space_group": "P2_1/m", "equivalent_atoms": "[0 0 2 2 4 4 6 6 8 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "ehull": 0.02352102578728482, "dynamically_stable": "Yes", "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0}


unique_id: 43bdc5a2cba0c58a311f4b35efe1103e
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_-0.25", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0_-0.25", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_-0.25", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 15, "layer_group": "p2_1/m11", "space_group_number": 11, "space_group": "P2_1/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 25.70619047335232, "binding_energy_gs": 25.819170638456967, "distance": 2.4522499999999887}


unique_id: 609fa1e88b27c037ff609d4046be76bc
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0_0", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 15, "layer_group": "p2_1/m11", "space_group_number": 11, "space_group": "P2_1/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 25.467595546618234, "binding_energy_gs": 25.61320124109948, "distance": 2.412749999999992}


unique_id: c90716cee03be107740470526d8c6bc3
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0.5_0.14", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0.5_0.14", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0.5_0.14", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 14, "layer_group": "p2/m11", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 24.737462320260754, "binding_energy_gs": 24.818661160409665, "distance": 2.6102499999999864}


unique_id: 15324110662f7b1370b83e094ce701a6
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1--0.5_0.06", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1--0.5_0.06", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1--0.5_0.06", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 14, "layer_group": "p2/m11", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 24.60954395277681, "binding_energy_gs": 24.738117459290777, "distance": 2.6102499999999864}


unique_id: fdf9e73434d92113ea2871c0f81dc5f2
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_-0.28", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0_-0.28", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_-0.28", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 15, "layer_group": "p2_1/m11", "space_group_number": 11, "space_group": "P2_1/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.001, "interlayer_magnetic_exchange": 0.00231565401658429, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 24.49923973915077, "binding_energy_gs": 26.14656177392255, "distance": 2.4238593749999957}


unique_id: 72e87c4e06ee1fe7225ef2cb5e8b4e23
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0_0.02", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_0.02", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 15, "layer_group": "p2_1/m11", "space_group_number": 11, "space_group": "P2_1/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 24.21736513942922, "binding_energy_gs": 25.926701418751254, "distance": 2.4176874999999924}


unique_id: cbcd4d7e02d8f32fe10af1ecc607ae45
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1-0_0.29", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2--1_0_0_-1-0_0.29", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1-0_0.29", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 11, "layer_group": "pm11", "space_group_number": 6, "space_group": "Pm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 2002027, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 24.065079401398354, "binding_energy_gs": 24.240363125963775, "distance": 2.613953124999991}


unique_id: e3dcdca2bc6c191734c9fed3584228e3
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1--0.5_-0.9", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1--0.5_-0.9", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1--0.5_-0.9", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 14, "layer_group": "p2/m11", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.001, "interlayer_magnetic_exchange": -0.002764494939427209, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 23.70882705884443, "binding_energy_gs": 25.364885583210093, "distance": 2.57568749999999}


unique_id: c91768e09df51cbc2109d66b5d738c62
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1--0.5_0.09", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1--0.5_0.09", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1--0.5_0.09", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 14, "layer_group": "p2/m11", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.001, "interlayer_magnetic_exchange": -0.0027428660082051692, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 23.705835506662268, "binding_energy_gs": 25.353460264793462, "distance": 2.57568749999999}


unique_id: e40dd2cd4519995f697da8136895b7c3
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1-0_0.56", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2--1_0_0_-1-0_0.56", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1-0_0.56", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 11, "layer_group": "pm11", "space_group_number": 6, "space_group": "Pm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 2002027, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 23.565643301743627, "binding_energy_gs": 23.686905095453344, "distance": 2.6694999999999887}


unique_id: b55ba763fd9fe314d0eac4b35c211cc4
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1--0.5_-0.79", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1--0.5_-0.79", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1--0.5_-0.79", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 14, "layer_group": "p2/m11", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 23.457415831862782, "binding_energy_gs": 23.49788317168635, "distance": 2.689249999999987}


unique_id: 7b597c1dd10af85bf0c27b1f586434a8
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1--1.0_-0.37", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2--1_0_0_-1--1.0_-0.37", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1--1.0_-0.37", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 11, "layer_group": "pm11", "space_group_number": 6, "space_group": "Pm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 23.057038774960876, "binding_energy_gs": 23.140987501513553, "distance": 2.6694999999999887}


unique_id: dc544f1559e6abe6e30d354a711b7f14
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0.5_0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0.5_0.32", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0.5_0.32", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 14, "layer_group": "p2/m11", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 22.7949185697753, "binding_energy_gs": 22.861558561353995, "distance": 2.699124999999988}


unique_id: 169ec9847d36203a0dbfbc1c7e9af8ee
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1-0_0.27", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2--1_0_0_-1-0_0.27", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1-0_0.27", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 32, "layer_group": "pm2_1n", "space_group_number": 31, "space_group": "Pmn2_1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 2002027, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.001, "interlayer_magnetic_exchange": -0.004578847157304722, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 22.767214481730935, "binding_energy_gs": 24.473178140473628, "distance": 2.585562499999991}


unique_id: e982839e48d0adcc8d78d1de85f4b81c
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_-0.65", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0_-0.65", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_-0.65", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 15, "layer_group": "p2_1/m11", "space_group_number": 11, "space_group": "P2_1/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.444262012742577, "binding_energy_gs": 22.587487733238746, "distance": 2.7484999999999893}


unique_id: bce321b2b893ad35e0fbec73f21ecb3a
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0.5_0.28", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0.5_0.28", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0.5_0.28", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 14, "layer_group": "p2/m11", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "interlayer_magnetic_exchange": -0.0006677666977878971, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 22.06639153530289, "binding_energy_gs": 23.617640188940985, "distance": 2.637406249999991}


unique_id: 8da80558d7c3346beb610932a916c1a5
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0.51_0.29", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0.51_0.29", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0.51_0.29", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 14, "layer_group": "p2/m11", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 21.987033720681715, "binding_energy_gs": 23.546032757106303, "distance": 2.639874999999993}


unique_id: dc1f572d4547a35f5d524951792f45ae
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1--0.5_0.23", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2--1_0_0_-1--0.5_0.23", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1--0.5_0.23", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 11, "layer_group": "pm11", "space_group_number": 6, "space_group": "Pm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.91430838352211, "binding_energy_gs": 22.020589518364687, "distance": 2.787999999999986}


unique_id: e5e6d39a7c175516905ea5f70b711a8d
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_0.85", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0_0.85", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_0.85", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 15, "layer_group": "p2_1/m11", "space_group_number": 11, "space_group": "P2_1/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.465139679004857, "binding_energy_gs": 21.523447305042257, "distance": 2.7484999999999893}


unique_id: 3898feb855603a3eeed032fdd68e472c
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1--0.5_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2--1_0_0_-1--0.5_0.58", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1--0.5_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 11, "layer_group": "pm11", "space_group_number": 6, "space_group": "Pm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 20.736926297876234, "binding_energy_gs": 20.83013400566346, "distance": 2.837374999999991}


unique_id: 93133714d221949e4f8b15a323f65924
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1--0.5_0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2--1_0_0_-1--0.5_0.02", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1--0.5_0.02", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 11, "layer_group": "pm11", "space_group_number": 6, "space_group": "Pm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 20.699905296554427, "binding_energy_gs": 20.744184452994322, "distance": 2.886749999999992}


unique_id: 3b493a6a77bc05d4ef55702f27d0857f
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1-0_0.16", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2--1_0_0_-1-0_0.16", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1-0_0.16", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 11, "layer_group": "pm11", "space_group_number": 6, "space_group": "Pm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 20.431753424870678, "binding_energy_gs": 20.566804079162907, "distance": 2.9163749999999915}


unique_id: 2a03eafbc6f5fd6ea9b217ee9a8a4d55
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0.5_0", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 14, "layer_group": "p2/m11", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 20.421792612573274, "binding_energy_gs": 20.50660825258473, "distance": 2.906499999999987}


unique_id: 87afca006b4bad9cf1f4c134d96f4f83
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1-0_0.09", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2--1_0_0_-1-0_0.09", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1-0_0.09", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 11, "layer_group": "pm11", "space_group_number": 6, "space_group": "Pm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.83466219417102, "binding_energy_gs": 19.942560463661824, "distance": 2.985499999999991}


unique_id: 68974fd02104dc9911fbd97d8db22b0b
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_0.25", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0_0.25", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_0.25", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 15, "layer_group": "p2_1/m11", "space_group_number": 11, "space_group": "P2_1/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.748063078806968, "binding_energy_gs": 19.858977964584337, "distance": 3.0052499999999895}


unique_id: 723c7e22a9a4d49158ea85c1a38c1d26
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1-0.5_0.42", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2--1_0_0_-1-0.5_0.42", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1-0.5_0.42", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 11, "layer_group": "pm11", "space_group_number": 6, "space_group": "Pm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.19992141635424, "binding_energy_gs": 19.256249202942964, "distance": 3.04474999999999}


unique_id: a55aec756686b89803f0953e9c5b00fd
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_-0.81", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0_-0.81", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_-0.81", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 15, "layer_group": "p2_1/m11", "space_group_number": 11, "space_group": "P2_1/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.02327470226373, "binding_energy_gs": 19.13307012917449, "distance": 3.04474999999999}


unique_id: 76d9db674d2d81230c56f98b21a984db
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_0.45", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0_0.45", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_0.45", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 15, "layer_group": "p2_1/m11", "space_group_number": 11, "space_group": "P2_1/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.01845325134483, "binding_energy_gs": 19.132796711457015, "distance": 3.0249999999999844}


unique_id: b6816421bd4c3595fe62b5dc6d50b4f6
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1-0_-0.29", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2--1_0_0_-1-0_-0.29", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1-0_-0.29", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 11, "layer_group": "pm11", "space_group_number": 6, "space_group": "Pm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.938713621840346, "binding_energy_gs": 19.01656780390941, "distance": 2.9558749999999883}


unique_id: 3b3a49f6371fc0d9f1a8c009540905c9
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_-0.4", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0_-0.4", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0_-0.4", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 15, "layer_group": "p2_1/m11", "space_group_number": 11, "space_group": "P2_1/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.926862745847643, "binding_energy_gs": 19.010357435801705, "distance": 2.9657499999999857}


unique_id: 5eb10fa46860be905bb1ed8d4daff972
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1-Iz-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2--1_0_0_-1-Iz-0_0.5", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2--1_0_0_-1-Iz-0_0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 14, "layer_group": "p2/m11", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 0 1 2 3 4 5 6 7 8 9]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.860882381061856, "binding_energy_gs": 18.95896946850735, "distance": 2.95587485930335}


unique_id: 7df82bfebe9a0c284281d05d90650cd8
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0.5_0.39", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0.5_0.39", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0.5_0.39", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 14, "layer_group": "p2/m11", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.691970813142, "binding_energy_gs": 17.815357672276125, "distance": 3.113874999999986}


unique_id: 1bfe36ea84f31f6cedcbe72e57bc2671
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0.5_0.79", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0.5_0.79", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0.5_0.79", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 14, "layer_group": "p2/m11", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.6100099910908, "binding_energy_gs": 17.66994283505231, "distance": 3.15337499999999}


unique_id: ebd37273b40830040ccc54c9dcf196e1
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 31, "layer_group": "pm2a", "space_group_number": 28, "space_group": "Pma2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 0 1 2 3 4 5 6 7 8 9]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.55945806690828, "binding_energy_gs": 17.646271568731567, "distance": 3.0842498593033447}


unique_id: 161e777bcade4b0678242c218dacc978
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0.5_-0.06", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0.5_-0.06", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0.5_-0.06", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 14, "layer_group": "p2/m11", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.979666099927073, "binding_energy_gs": 17.030088022818493, "distance": 3.222499999999986}


unique_id: f20f2346156ea8b3058bb02fc384657d
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0.5_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1-0.5_-0.33", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1-0.5_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 14, "layer_group": "p2/m11", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.542833422581452, "binding_energy_gs": 16.656305388496794, "distance": 3.19287499999999}


unique_id: 8184759e0f5da9af634dae891664f724
username: jensj
key_value_pairs:
  {"uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1--0.5_-0.14", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/FeTaTe3/Fe2Ta2Te6-9c5e30777872/Fe2Ta2Te6-2-1_0_0_1--0.5_-0.14", "stoichiometry": "ABC3", "monolayer_uid": "Fe2Ta2Te6-9c5e30777872", "bilayer_uid": "Fe2Ta2Te6-9c5e30777872-2-1_0_0_1--0.5_-0.14", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 14, "layer_group": "p2/m11", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 2002027, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.188702768168756, "binding_energy_gs": 16.233628118252767, "distance": 3.3113749999999875}


unique_id: 53a624b0add439930ef20f04b4c988d7
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 1 0 3 1 1 1 3 1 1]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 61391, "ehull": 0.03572948286489591, "dynamically_stable": "Yes", "gap_pbe": 1.257, "gap_pbe_dir": 1.257, "gap_pbe_nosoc": 1.257, "gap_pbe_dir_nosoc": 1.257, "dipz": -0.0}


unique_id: c907ec587dab09c8498460eaa1660bf0
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2-1_0_0_1-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2-1_0_0_1-0.33_-0.33", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2-1_0_0_1-0.33_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 3 1 1 6 7 6 6 2 6 0 7 6 6 1 3 1 1]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 61391, "gap_pbe": 1.262, "gap_pbe_dir": 1.262, "gap_pbe_nosoc": 1.262, "gap_pbe_dir_nosoc": 1.262, "dipz": 0.0, "interlayer_magnetic_exchange": 0.001639849603861876, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 67.25339784066256, "binding_energy_gs": 16.686428250105294, "distance": 3.2323750000000047}


unique_id: b0129426eae429d83e3d6dd432371eae
username: jensj
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2-1_0_0_1-0.34_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2-1_0_0_1-0.34_-0.67", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2-1_0_0_1-0.34_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 0 3 4 4 6 7 8 6 0 8 0 7 6 6 4 3 1 4]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 61391, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 67.07051425715456, "binding_energy_gs": 16.503182980747553, "distance": 3.281750000000006}


unique_id: aa4388abb687a2db0f7dda0a076cef90
username: jensj
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-0_-0.98", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2--1_0_0_-1-0_-0.98", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-0_-0.98", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  0  3  1  5  6  7  6  9 10 11 10 13 11 15 16 17 16 19]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 61391, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 67.05104475191155, "binding_energy_gs": 16.484184574332975, "distance": 3.2620000000000005}


unique_id: 1e1aa28c7f21587ce48a6965512e093c
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2-1_0_0_1-0_0", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 1 0 3 1 1 6 7 6 6 0 6 0 7 6 6 1 3 1 1]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 61391, "gap_pbe": 1.249, "gap_pbe_dir": 1.249, "gap_pbe_nosoc": 1.249, "gap_pbe_dir_nosoc": 1.249, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0019609986748179153, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 66.4641815855585, "binding_energy_gs": 15.896653647745302, "distance": 3.2916250000000034}


unique_id: 4bb127599ae79d46ce553f60e68d302a
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2-1_0_0_1-0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2-1_0_0_1-0.33_-0.67", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2-1_0_0_1-0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 0 3 4 4 6 7 8 6 0 8 0 7 6 6 4 3 1 4]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 61391, "gap_pbe": 1.261, "gap_pbe_dir": 1.261, "gap_pbe_nosoc": 1.261, "gap_pbe_dir_nosoc": 1.261, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0022847326410300184, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 66.35903270444871, "binding_energy_gs": 16.512258497306746, "distance": 3.2718750000000014}


unique_id: 13c67c6f676808bb7d33b555d4377815
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-Iz-0.33_0.69", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2--1_0_0_-1-Iz-0.33_0.69", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-Iz-0.33_0.69", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 0 3 4 4 6 7 8 6 0 1 0 3 4 4 6 7 8 6]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 61391, "gap_pbe": 1.261, "gap_pbe_dir": 1.261, "gap_pbe_nosoc": 1.261, "gap_pbe_dir_nosoc": 1.261, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0022923797346550145, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 66.35886515795995, "binding_energy_gs": 16.51211267318644, "distance": 3.271874977696303}


unique_id: c7f970ff242e251369ba8c915a727e0c
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2-1_0_0_1-0.67_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2-1_0_0_1-0.67_0", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2-1_0_0_1-0.67_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 0 3 4 1 6 7 8 8 0 8 0 7 6 8 4 3 1 1]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 61391, "gap_pbe": 1.26, "gap_pbe_dir": 1.26, "gap_pbe_nosoc": 1.26, "gap_pbe_dir_nosoc": 1.26, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0022388342523953497, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 66.35690673959246, "binding_energy_gs": 16.51095046051756, "distance": 3.2780468750000047}


unique_id: 2e94e134b96c97e3a46ffd5a421aebea
username: jensj
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-Iz-0.68_0.36", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2--1_0_0_-1-Iz-0.68_0.36", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-Iz-0.68_0.36", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 0 3 4 1 6 7 8 8 0 1 0 3 4 1 6 7 8 8]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 61391, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 66.35559484832584, "binding_energy_gs": 16.511153028173347, "distance": 3.2768124776963035}


unique_id: 42989cea9933a9a1594abd7b8a60587d
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-0_-0.97", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2--1_0_0_-1-0_-0.97", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-0_-0.97", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  0  3  1  5  6  7  6  9 10 11 10 13 11 15 16 17 16 19]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 61391, "gap_pbe": 1.239, "gap_pbe_dir": 1.239, "gap_pbe_nosoc": 1.239, "gap_pbe_dir_nosoc": 1.239, "dipz": -0.004, "interlayer_magnetic_exchange": 0.001901275631823296, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 66.33909261858662, "binding_energy_gs": 16.492967351653295, "distance": 3.2644687500000025}


unique_id: 286d77473283262fbffa63fe6af66b34
username: jensj
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-0.33_0.69", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2--1_0_0_-1-0.33_0.69", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-0.33_0.69", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  0  3  4  4  6  7  8  6 10 11 10 13 14 14 16 17 18 16]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 61391, "gap_pbe": 1.21, "gap_pbe_dir": 1.21, "gap_pbe_nosoc": 1.21, "gap_pbe_dir_nosoc": 1.21, "dipz": -0.004, "interlayer_magnetic_exchange": 0.0018884780978538629, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 66.33778751428208, "binding_energy_gs": 16.491454728884037, "distance": 3.2620000000000005}


unique_id: f551557397719394b00218dd1d1e710e
username: jensj
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2--1_0_0_-1-0.29_0.58", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-0.29_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 61391, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 66.22510954991363, "binding_energy_gs": 15.658070536971977, "distance": 3.341000000000001}


unique_id: e7f6b195f40ffe6be616d8f5d3b78fdf
username: jensj
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2--1_0_0_-1-Iz-0.29_0.58", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-Iz-0.29_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 0 1 2 3 4 5 6 7 8 9]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 61391, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 66.09812509621932, "binding_energy_gs": 15.530961546136263, "distance": 3.3607499776963046}


unique_id: a25861cb59deda8bb5e565f2693cc1cb
username: jensj
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-0.82_0.51", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2--1_0_0_-1-0.82_0.51", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-0.82_0.51", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17 18 19]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 61391, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 65.57567900798504, "binding_energy_gs": 15.729315535566315, "distance": 3.3484062500000036}


unique_id: 3708663237fc8cb9a3e30ed69630c700
username: jensj
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2--1_0_0_-1-0.79_0.58", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 0 8 2 7 9 6 5 3 1 4]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 61391, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 65.24450975726644, "binding_energy_gs": 14.67770063229986, "distance": 3.459500000000002}


unique_id: 35ceb1bd52f3993566c2f37eb96cb8c8
username: jensj
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2--1_0_0_-1-Iz-0.79_0.58", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 0 1 2 3 4 5 6 7 8 9]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 61391, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 64.92148127467081, "binding_energy_gs": 14.354807005649725, "distance": 3.4989999776963003}


unique_id: 7415f6822ec0da04105175691ac9e278
username: jensj
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2-1_0_0_1-0.5_0", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 0 3 4 1 6 7 8 8 0 8 0 7 6 8 4 3 1 1]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 61391, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 64.41141388829422, "binding_energy_gs": 13.844483218121354, "distance": 3.558250000000001}


unique_id: 83f277a404a74a8291069482984a1809
username: jensj
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-0.34_-0.98", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2--1_0_0_-1-0.34_-0.98", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-0.34_-0.98", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 3 1 1 6 7 6 6 0 6 2 7 6 6 1 3 1 1]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 61391, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 63.09936442387929, "binding_energy_gs": 12.53236363438482, "distance": 3.7261249999999997}


unique_id: 593dad14b538fe53ed78a39a677caacd
username: jensj
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2-1_0_0_1-0.34_0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2-1_0_0_1-0.34_0.01", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2-1_0_0_1-0.34_0.01", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 0 3 4 1 6 7 8 8 0 8 0 7 6 8 4 3 1 1]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 61391, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 63.00357427948243, "binding_energy_gs": 12.43703520897857, "distance": 3.736000000000004}


unique_id: e82001f1a740e3200247172a4a19c03c
username: jensj
key_value_pairs:
  {"uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-0_-0.64", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPS3/Mn2P2S6-bc27e2e68843/Mn2P2S6-2--1_0_0_-1-0_-0.64", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2S6-bc27e2e68843", "bilayer_uid": "Mn2P2S6-bc27e2e68843-2--1_0_0_-1-0_-0.64", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 79, "layer_group": "p-62m", "space_group_number": 189, "space_group": "P-62m", "equivalent_atoms": "[0 1 0 3 1 1 6 7 6 6 0 6 0 7 6 6 1 3 1 1]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 61391, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 62.74112806724968, "binding_energy_gs": 12.174614922658023, "distance": 3.755749999999999}


unique_id: f535bb42c35d014332ef5af8b1c1f230
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Mn2P2Se6-a725559745a9", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPSe3/Mn2P2Se6-a725559745a9", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2Se6-a725559745a9", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 0 2 2 4 4 4 4 4 4]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 643239, "ehull": 0.07389804481262593, "dynamically_stable": "Yes", "gap_pbe": 0.735, "gap_pbe_dir": 0.735, "gap_pbe_nosoc": 0.731, "gap_pbe_dir_nosoc": 0.731, "dipz": 0.0}


unique_id: 2a3e3634a5c9d913ef219fb68719e7ca
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Mn2P2Se6-a725559745a9-2-1_0_0_1-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPSe3/Mn2P2Se6-a725559745a9/Mn2P2Se6-2-1_0_0_1-0.33_-0.33", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2Se6-a725559745a9", "bilayer_uid": "Mn2P2Se6-a725559745a9-2-1_0_0_1-0.33_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 3 4 4 4 7 7 7 1 0 3 2 7 7 7 4 4 4]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 643239, "gap_pbe": 0.743, "gap_pbe_dir": 0.743, "gap_pbe_nosoc": 0.739, "gap_pbe_dir_nosoc": 0.739, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0032433552052282266, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 70.12447291707811, "binding_energy_gs": 18.480292506990274, "distance": 3.301499999999997}


unique_id: 556dbcd62adbd6895710515b187e5693
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Mn2P2Se6-a725559745a9-2-1_-1_1_0-1.0_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPSe3/Mn2P2Se6-a725559745a9/Mn2P2Se6-2-1_-1_1_0-1.0_-0.67", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2Se6-a725559745a9", "bilayer_uid": "Mn2P2Se6-a725559745a9-2-1_-1_1_0-1.0_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  0  2  3  4  5  5  7  8  8 10 10 12 13 14 14 16 17 17 19]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 643239, "gap_pbe": 0.73, "gap_pbe_dir": 0.732, "gap_pbe_nosoc": 0.727, "gap_pbe_dir_nosoc": 0.727, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0029762047863499674, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 69.73663207249606, "binding_energy_gs": 18.09798771116463, "distance": 3.3409999999999975}


unique_id: 188286f2118b80e724fe32dd2462fb24
username: jensj
key_value_pairs:
  {"uid": "Mn2P2Se6-a725559745a9-2-1_0_0_1-0_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPSe3/Mn2P2Se6-a725559745a9/Mn2P2Se6-2-1_0_0_1-0_-0.67", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2Se6-a725559745a9", "bilayer_uid": "Mn2P2Se6-a725559745a9-2-1_0_0_1-0_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 0 2 3 4 4 6 7 7 9 0 0 3 2 7 7 9 4 4 6]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 643239, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 69.54845121898202, "binding_energy_gs": 17.90927132320866, "distance": 3.3706250000000004}


unique_id: 9b3fd698070468bf8c5c4e8692fe30a3
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Mn2P2Se6-a725559745a9-2-1_0_0_1-1.0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPSe3/Mn2P2Se6-a725559745a9/Mn2P2Se6-2-1_0_0_1-1.0_0", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2Se6-a725559745a9", "bilayer_uid": "Mn2P2Se6-a725559745a9-2-1_0_0_1-1.0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 0 2 3 4 4 4 7 7 7 0 0 3 2 7 7 7 4 4 4]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 643239, "gap_pbe": 0.726, "gap_pbe_dir": 0.726, "gap_pbe_nosoc": 0.722, "gap_pbe_dir_nosoc": 0.722, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0025881018771514164, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 69.54435604682007, "binding_energy_gs": 17.910127065739204, "distance": 3.3409999999999975}


unique_id: 49a26ce9bed50de6e11f678d349975d0
username: jensj
key_value_pairs:
  {"uid": "Mn2P2Se6-a725559745a9-2-1_-1_1_0-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPSe3/Mn2P2Se6-a725559745a9/Mn2P2Se6-2-1_-1_1_0-0.5_0", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2Se6-a725559745a9", "bilayer_uid": "Mn2P2Se6-a725559745a9-2-1_-1_1_0-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 0 1 3 2 9 8 7 6 5 4]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 643239, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 68.72870239308159, "binding_energy_gs": 17.084850137041137, "distance": 3.429874999999999}


unique_id: 8aea3769caa98b8cd51c5d96130134d9
username: jensj
key_value_pairs:
  {"uid": "Mn2P2Se6-a725559745a9-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPSe3/Mn2P2Se6-a725559745a9/Mn2P2Se6-2-1_0_0_1-0.5_0", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2Se6-a725559745a9", "bilayer_uid": "Mn2P2Se6-a725559745a9-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 0 2 3 4 5 5 7 8 8 0 0 3 2 7 8 8 4 5 5]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 643239, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 66.26768417709776, "binding_energy_gs": 14.624247076372425, "distance": 3.666875000000001}


unique_id: 9388b0e63e4ddc4f9a4eb59936ca2b8d
username: jensj
key_value_pairs:
  {"uid": "Mn2P2Se6-a725559745a9-2-1_-1_1_0-1.0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPSe3/Mn2P2Se6-a725559745a9/Mn2P2Se6-2-1_-1_1_0-1.0_0", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2Se6-a725559745a9", "bilayer_uid": "Mn2P2Se6-a725559745a9-2-1_-1_1_0-1.0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 3 4 4 4 7 7 7 0 1 3 2 7 7 7 4 4 4]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 643239, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 64.71681934306754, "binding_energy_gs": 13.072613405863908, "distance": 3.8742499999999964}


unique_id: 4ba3271fd22f01338c695f7afd7bd26f
username: jensj
key_value_pairs:
  {"uid": "Mn2P2Se6-a725559745a9-2-1_0_0_1-0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPSe3/Mn2P2Se6-a725559745a9/Mn2P2Se6-2-1_0_0_1-0.33_-0.67", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2Se6-a725559745a9", "bilayer_uid": "Mn2P2Se6-a725559745a9-2-1_0_0_1-0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 0 2 3 4 5 4 7 8 7 0 0 3 2 7 8 7 4 5 4]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 643239, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 64.64772116271409, "binding_energy_gs": 13.008127824048433, "distance": 3.8742499999999964}


unique_id: b6e95d75879010d9d12e4d0772d5512f
username: jensj
key_value_pairs:
  {"uid": "Mn2P2Se6-a725559745a9-2-1_-1_1_0-0.67_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/MnPSe3/Mn2P2Se6-a725559745a9/Mn2P2Se6-2-1_-1_1_0-0.67_-0.67", "stoichiometry": "ABC3", "monolayer_uid": "Mn2P2Se6-a725559745a9", "bilayer_uid": "Mn2P2Se6-a725559745a9-2-1_-1_1_0-0.67_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 79, "layer_group": "p-62m", "space_group_number": 189, "space_group": "P-62m", "equivalent_atoms": "[0 0 2 3 4 4 4 7 7 7 0 0 3 2 7 7 7 4 4 4]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 643239, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 64.48205298174958, "binding_energy_gs": 12.839821763786743, "distance": 3.8939999999999984}


unique_id: b99293347806523da8201917e4f52f3b
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2S6-de2432ed42aa", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPS3/Ni2P2S6-de2432ed42aa", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2S6-de2432ed42aa", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 0 2 2 4 4 4 4 4 4]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 657314, "ehull": 0.04538257986209138, "dynamically_stable": "Yes", "gap_pbe": 1.207, "gap_pbe_dir": 1.259, "gap_pbe_nosoc": 1.206, "gap_pbe_dir_nosoc": 1.257, "dipz": -0.0}


unique_id: 909212dcbb069da85eb63c34d8c81615
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2S6-de2432ed42aa-2-1_0_0_1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPS3/Ni2P2S6-de2432ed42aa/Ni2P2S6-2-1_0_0_1--0.33_-0.67", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2S6-de2432ed42aa", "bilayer_uid": "Ni2P2S6-de2432ed42aa-2-1_0_0_1--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 3 4 4 4 7 7 7 1 0 3 2 7 7 7 4 4 4]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 657314, "gap_pbe": 1.221, "gap_pbe_dir": 1.276, "gap_pbe_nosoc": 1.22, "gap_pbe_dir_nosoc": 1.275, "dipz": 0.0, "interlayer_magnetic_exchange": 0.006665920419976601, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 177.86735473876925, "binding_energy_gs": 18.57950251615373, "distance": 3.252125000000005}


unique_id: 1d78cf9993055cadba97430a15773826
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2S6-de2432ed42aa-2-1_0_0_1-0.66_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPS3/Ni2P2S6-de2432ed42aa/Ni2P2S6-2-1_0_0_1-0.66_0", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2S6-de2432ed42aa", "bilayer_uid": "Ni2P2S6-de2432ed42aa-2-1_0_0_1-0.66_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 0 2 3 4 5 4 7 8 7 0 0 3 2 7 8 7 4 5 4]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 657314, "gap_pbe": 1.221, "gap_pbe_dir": 1.284, "gap_pbe_nosoc": 1.22, "gap_pbe_dir_nosoc": 1.283, "dipz": 0.0, "interlayer_magnetic_exchange": 0.008331286421849882, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 177.16110375322515, "binding_energy_gs": 18.654469379307407, "distance": 3.2792812500000075}


unique_id: 8dee5efdf7f0bd3e9754a6ef03035a50
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2S6-de2432ed42aa-2-1_0_0_1-1.0_0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPS3/Ni2P2S6-de2432ed42aa/Ni2P2S6-2-1_0_0_1-1.0_0.66", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2S6-de2432ed42aa", "bilayer_uid": "Ni2P2S6-de2432ed42aa-2-1_0_0_1-1.0_0.66", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 0 2 3 4 4 6 7 7 9 0 0 3 2 7 7 9 4 4 6]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 657314, "gap_pbe": 1.221, "gap_pbe_dir": 1.284, "gap_pbe_nosoc": 1.22, "gap_pbe_dir_nosoc": 1.283, "dipz": 0.0, "interlayer_magnetic_exchange": 0.008359155572478016, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 177.15591680771644, "binding_energy_gs": 18.65050396234428, "distance": 3.2805156250000085}


unique_id: ed1c46f2bd7e0578e8b9966aae07c5ed
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2S6-de2432ed42aa-2--1_0_0_-1-0.67_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPS3/Ni2P2S6-de2432ed42aa/Ni2P2S6-2--1_0_0_-1-0.67_0.67", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2S6-de2432ed42aa", "bilayer_uid": "Ni2P2S6-de2432ed42aa-2--1_0_0_-1-0.67_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  0  2  3  4  5  4  7  8  7 10 10 12 13 14 15 14 17 18 17]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 657314, "gap_pbe": 1.189, "gap_pbe_dir": 1.243, "gap_pbe_nosoc": 1.188, "gap_pbe_dir_nosoc": 1.242, "dipz": 0.005, "interlayer_magnetic_exchange": 0.007002140063960383, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 177.0141511695647, "binding_energy_gs": 18.509810561488415, "distance": 3.2768125000000072}


unique_id: 176cf48c02193cfa8ee1707b0353e6bc
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2S6-de2432ed42aa-2--1_0_0_-1-0.33_0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPS3/Ni2P2S6-de2432ed42aa/Ni2P2S6-2--1_0_0_-1-0.33_0.01", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2S6-de2432ed42aa", "bilayer_uid": "Ni2P2S6-de2432ed42aa-2--1_0_0_-1-0.33_0.01", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  0  2  3  4  4  6  7  7  9 10 10 12 13 14 14 16 17 17 19]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 657314, "gap_pbe": 1.192, "gap_pbe_dir": 1.243, "gap_pbe_nosoc": 1.191, "gap_pbe_dir_nosoc": 1.242, "dipz": 0.005, "interlayer_magnetic_exchange": 0.006881409526940274, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 177.01404926891362, "binding_energy_gs": 18.50950554136684, "distance": 3.2694062500000083}


unique_id: 8fdccb89cd2215c08ce0b9fc3c668a80
username: jensj
key_value_pairs:
  {"uid": "Ni2P2S6-de2432ed42aa-2--1_0_0_-1-0.68_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPS3/Ni2P2S6-de2432ed42aa/Ni2P2S6-2--1_0_0_-1-0.68_0.67", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2S6-de2432ed42aa", "bilayer_uid": "Ni2P2S6-de2432ed42aa-2--1_0_0_-1-0.68_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  0  2  3  4  5  4  7  8  7 10 10 12 13 14 15 14 17 18 17]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 657314, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 177.01362466882793, "binding_energy_gs": 18.50131132760174, "distance": 3.2768125000000072}


unique_id: 71a8e8af8c06e066d3b85051210fe8d9
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2S6-de2432ed42aa-2-1_0_0_1--1.0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPS3/Ni2P2S6-de2432ed42aa/Ni2P2S6-2-1_0_0_1--1.0_-1.0", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2S6-de2432ed42aa", "bilayer_uid": "Ni2P2S6-de2432ed42aa-2-1_0_0_1--1.0_-1.0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 0 2 3 4 4 4 7 7 7 0 0 3 2 7 7 7 4 4 4]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 657314, "gap_pbe": 1.206, "gap_pbe_dir": 1.253, "gap_pbe_nosoc": 1.205, "gap_pbe_dir_nosoc": 1.252, "dipz": 0.0, "interlayer_magnetic_exchange": 0.008416935156233762, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 176.82383414688692, "binding_energy_gs": 17.54012738132866, "distance": 3.3015000000000043}


unique_id: 327eb0d84c642520af7fa8929df1489e
username: jensj
key_value_pairs:
  {"uid": "Ni2P2S6-de2432ed42aa-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPS3/Ni2P2S6-de2432ed42aa/Ni2P2S6-2--1_0_0_-1-0.5_0", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2S6-de2432ed42aa", "bilayer_uid": "Ni2P2S6-de2432ed42aa-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 0 1 3 2 9 8 7 6 5 4]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 657314, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 176.7552623815653, "binding_energy_gs": 17.468513613944218, "distance": 3.3607500000000066}


unique_id: ab69dfdf3b7f4d199243294dba9ef30c
username: jensj
key_value_pairs:
  {"uid": "Ni2P2S6-de2432ed42aa-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPS3/Ni2P2S6-de2432ed42aa/Ni2P2S6-2--1_0_0_-1-0.79_0.58", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2S6-de2432ed42aa", "bilayer_uid": "Ni2P2S6-de2432ed42aa-2--1_0_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 0 1 3 2 9 8 7 6 5 4]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 657314, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 175.92316163978546, "binding_energy_gs": 16.63412723194189, "distance": 3.4496250000000046}


unique_id: dc709f4a894398bc3a52cd0cd5df2836
username: jensj
key_value_pairs:
  {"uid": "Ni2P2S6-de2432ed42aa-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPS3/Ni2P2S6-de2432ed42aa/Ni2P2S6-2-1_0_0_1-0.79_0.58", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2S6-de2432ed42aa", "bilayer_uid": "Ni2P2S6-de2432ed42aa-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 657314, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 175.30683457904578, "binding_energy_gs": 16.017258681295107, "distance": 3.508875000000007}


unique_id: 4c4afc3e717dee9b3b170d282a1783bd
username: jensj
key_value_pairs:
  {"uid": "Ni2P2S6-de2432ed42aa-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPS3/Ni2P2S6-de2432ed42aa/Ni2P2S6-2-1_0_0_1-0.5_0", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2S6-de2432ed42aa", "bilayer_uid": "Ni2P2S6-de2432ed42aa-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 0 2 3 4 5 4 7 8 7 0 0 3 2 7 8 7 4 5 4]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 657314, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 174.99213615208816, "binding_energy_gs": 15.700752245019764, "distance": 3.538500000000006}


unique_id: 580fd3960bedf363d64d3e5959b92e06
username: jensj
key_value_pairs:
  {"uid": "Ni2P2S6-de2432ed42aa-2--1_0_0_-1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPS3/Ni2P2S6-de2432ed42aa/Ni2P2S6-2--1_0_0_-1-0_0", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2S6-de2432ed42aa", "bilayer_uid": "Ni2P2S6-de2432ed42aa-2--1_0_0_-1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 3 4 4 4 7 7 7 0 1 3 2 7 7 7 4 4 4]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 657314, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 173.30583353346782, "binding_energy_gs": 14.017432039952718, "distance": 3.726125000000005}


unique_id: b3c043e0044af686ef6085f3e1dc4798
username: jensj
key_value_pairs:
  {"uid": "Ni2P2S6-de2432ed42aa-2--1_0_0_-1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPS3/Ni2P2S6-de2432ed42aa/Ni2P2S6-2--1_0_0_-1--0.67_-0.33", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2S6-de2432ed42aa", "bilayer_uid": "Ni2P2S6-de2432ed42aa-2--1_0_0_-1--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 79, "layer_group": "p-62m", "space_group_number": 189, "space_group": "P-62m", "equivalent_atoms": "[0 0 2 3 4 4 4 7 7 7 0 0 3 2 7 7 7 4 4 4]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 657314, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 172.7534616979005, "binding_energy_gs": 13.467118929342437, "distance": 3.7656250000000053}


unique_id: 4ae944457ea9aa31e5191126a41bb9ee
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2Se6-9cdd5e072a05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPSe3/Ni2P2Se6-9cdd5e072a05", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2Se6-9cdd5e072a05", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 0 2 2 4 4 4 4 4 4]", "has_inversion_symmetry": true, "magnetic": true, "ehull": 0.06504707253057324, "dynamically_stable": "Yes", "gap_pbe": 0.76, "gap_pbe_dir": 0.776, "gap_pbe_nosoc": 0.756, "gap_pbe_dir_nosoc": 0.77, "dipz": 0.0}


unique_id: 43308ecd59d3520a045c42353c6d83fa
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2Se6-9cdd5e072a05-2-1_0_0_1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPSe3/Ni2P2Se6-9cdd5e072a05/Ni2P2Se6-2-1_0_0_1--0.33_-0.67", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2Se6-9cdd5e072a05", "bilayer_uid": "Ni2P2Se6-9cdd5e072a05-2-1_0_0_1--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 3 4 4 4 7 7 7 1 0 3 2 7 7 7 4 4 4]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.783, "gap_pbe_dir": 0.795, "gap_pbe_nosoc": 0.78, "gap_pbe_dir_nosoc": 0.789, "dipz": 0.0, "interlayer_magnetic_exchange": 0.02081736096876341, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 182.26679214848022, "binding_energy_gs": 20.80760942921799, "distance": 3.291625000000007}


unique_id: c3a16b2d6d24ce6e20b1a2c4fc866d9d
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2Se6-9cdd5e072a05-2-1_0_0_1--1.0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPSe3/Ni2P2Se6-9cdd5e072a05/Ni2P2Se6-2-1_0_0_1--1.0_0", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2Se6-9cdd5e072a05", "bilayer_uid": "Ni2P2Se6-9cdd5e072a05-2-1_0_0_1--1.0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 0 2 3 4 4 4 7 7 7 0 0 3 2 7 7 7 4 4 4]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.748, "gap_pbe_dir": 0.748, "gap_pbe_nosoc": 0.741, "gap_pbe_dir_nosoc": 0.741, "dipz": 0.0, "interlayer_magnetic_exchange": 0.021105905577627482, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 181.7764775100972, "binding_energy_gs": 20.323106504335072, "distance": 3.3113750000000035}


unique_id: 67f6bc67e183b80f8e1a2d2f352feaaa
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2Se6-9cdd5e072a05-2--1_0_0_-1--0.34_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPSe3/Ni2P2Se6-9cdd5e072a05/Ni2P2Se6-2--1_0_0_-1--0.34_0", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2Se6-9cdd5e072a05", "bilayer_uid": "Ni2P2Se6-9cdd5e072a05-2--1_0_0_-1--0.34_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  0  2  3  4  5  5  7  8  8 10 10 12 13 14 15 15 17 18 18]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.765, "gap_pbe_dir": 0.765, "gap_pbe_nosoc": 0.763, "gap_pbe_dir_nosoc": 0.763, "dipz": 0.0, "interlayer_magnetic_exchange": 0.017894576663692874, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 181.68795563648374, "binding_energy_gs": 20.40430662581086, "distance": 3.345937500000007}


unique_id: 3d923d32d37fdce5be483998fa19174c
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se6-9cdd5e072a05-2--1_0_0_-1--0.38_-0.04", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPSe3/Ni2P2Se6-9cdd5e072a05/Ni2P2Se6-2--1_0_0_-1--0.38_-0.04", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2Se6-9cdd5e072a05", "bilayer_uid": "Ni2P2Se6-9cdd5e072a05-2--1_0_0_-1--0.38_-0.04", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  0  2  3  4  5  5  7  8  8 10 10 12 13 14 15 15 17 18 18]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 181.5741885714895, "binding_energy_gs": 20.117634426359604, "distance": 3.3607500000000066}


unique_id: 9cfe2a5d238b2915c695f1c2c0bb4109
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se6-9cdd5e072a05-2-1_0_0_1-0.34_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPSe3/Ni2P2Se6-9cdd5e072a05/Ni2P2Se6-2-1_0_0_1-0.34_-0.67", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2Se6-9cdd5e072a05", "bilayer_uid": "Ni2P2Se6-9cdd5e072a05-2-1_0_0_1-0.34_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 0 2 3 4 5 5 7 8 8 0 0 3 2 7 8 8 4 5 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "-", "binding_energy_zscan": 181.4908537216598, "binding_energy_gs": 20.209086729768696, "distance": 3.3730937500000078}


unique_id: 3aa66714ff7644f3666f3f919c4547c9
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se6-9cdd5e072a05-2-1_0_0_1-0.29_-0.71", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPSe3/Ni2P2Se6-9cdd5e072a05/Ni2P2Se6-2-1_0_0_1-0.29_-0.71", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2Se6-9cdd5e072a05", "bilayer_uid": "Ni2P2Se6-9cdd5e072a05-2-1_0_0_1-0.29_-0.71", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 0 2 3 4 5 5 7 8 8 0 0 3 2 7 8 8 4 5 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 181.4553174677013, "binding_energy_gs": 19.997433392264224, "distance": 3.390375000000006}


unique_id: d18a018ec7c82cd6e146ee10a402d268
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se6-9cdd5e072a05-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPSe3/Ni2P2Se6-9cdd5e072a05/Ni2P2Se6-2--1_0_0_-1-0.5_0", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2Se6-9cdd5e072a05", "bilayer_uid": "Ni2P2Se6-9cdd5e072a05-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 0 1 3 2 9 8 7 6 5 4]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 180.74032591848035, "binding_energy_gs": 19.2809957733732, "distance": 3.4101250000000043}


unique_id: e2fec2c4b392ae0d69087bd673a4fdb8
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se6-9cdd5e072a05-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPSe3/Ni2P2Se6-9cdd5e072a05/Ni2P2Se6-2--1_0_0_-1-0.79_0.58", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2Se6-9cdd5e072a05", "bilayer_uid": "Ni2P2Se6-9cdd5e072a05-2--1_0_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 0 1 3 2 9 8 7 6 5 4]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 179.27010295630947, "binding_energy_gs": 17.816849843275065, "distance": 3.518750000000006}


unique_id: b773cec80359b1f9614a4449ee806b97
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se6-9cdd5e072a05-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPSe3/Ni2P2Se6-9cdd5e072a05/Ni2P2Se6-2-1_0_0_1-0.79_0.58", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2Se6-9cdd5e072a05", "bilayer_uid": "Ni2P2Se6-9cdd5e072a05-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 178.69174719990653, "distance": 3.587875000000004}


unique_id: af92c362a1103a0a6e7190a230e6c7db
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se6-9cdd5e072a05-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPSe3/Ni2P2Se6-9cdd5e072a05/Ni2P2Se6-2-1_0_0_1-0.5_0", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2Se6-9cdd5e072a05", "bilayer_uid": "Ni2P2Se6-9cdd5e072a05-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 0 2 3 4 5 4 7 8 7 0 0 3 2 7 8 7 4 5 4]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 178.1636592235896, "binding_energy_gs": 16.701517648114876, "distance": 3.6273750000000025}


unique_id: f0cb948aab73baff1a6d0598dd811419
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se6-9cdd5e072a05-2--1_0_0_-1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPSe3/Ni2P2Se6-9cdd5e072a05/Ni2P2Se6-2--1_0_0_-1--0.67_-0.33", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2Se6-9cdd5e072a05", "bilayer_uid": "Ni2P2Se6-9cdd5e072a05-2--1_0_0_-1--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 79, "layer_group": "p-62m", "space_group_number": 189, "space_group": "P-62m", "equivalent_atoms": "[0 0 2 3 4 4 4 7 7 7 0 0 3 2 7 7 7 4 4 4]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 176.193955486927, "binding_energy_gs": 14.73664178732914, "distance": 3.834750000000005}


unique_id: bb4733cc9b437078f094f284bf9a43bf
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se6-9cdd5e072a05-2-1_0_0_1-0.71_-0.29", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPSe3/Ni2P2Se6-9cdd5e072a05/Ni2P2Se6-2-1_0_0_1-0.71_-0.29", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2Se6-9cdd5e072a05", "bilayer_uid": "Ni2P2Se6-9cdd5e072a05-2-1_0_0_1-0.71_-0.29", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 0 2 3 4 5 5 7 8 8 0 0 3 2 7 8 8 4 5 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 176.1877223165545, "binding_energy_gs": 14.729037344251, "distance": 3.834750000000005}


unique_id: 5d08e2d8c244a8112a99a30c4529baa5
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se6-9cdd5e072a05-2--1_0_0_-1-0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/NiPSe3/Ni2P2Se6-9cdd5e072a05/Ni2P2Se6-2--1_0_0_-1-0_-1.0", "stoichiometry": "ABC3", "monolayer_uid": "Ni2P2Se6-9cdd5e072a05", "bilayer_uid": "Ni2P2Se6-9cdd5e072a05-2--1_0_0_-1-0_-1.0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 3 4 4 4 7 7 7 0 1 3 2 7 7 7 4 4 4]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 176.0296130893462, "binding_energy_gs": 14.571232782587348, "distance": 3.8643750000000026}


unique_id: 148ff15ba8ea379edba739e1404f5b1a
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "P2Ti2S6-1b2e64d113e5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/PTiS3/P2Ti2S6-1b2e64d113e5", "stoichiometry": "ABC3", "monolayer_uid": "P2Ti2S6-1b2e64d113e5", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 0 2 2 4 4 4 4 4 4]", "has_inversion_symmetry": true, "magnetic": true, "ehull": 0.15464798456664963, "dynamically_stable": "Yes", "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0}


unique_id: a295a3effe41facc9675164d78b540b4
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "P2Ti2S6-1b2e64d113e5-2-1_0_0_1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/PTiS3/P2Ti2S6-1b2e64d113e5/P2S6Ti2-2-1_0_0_1--0.33_-0.67", "stoichiometry": "ABC3", "monolayer_uid": "P2Ti2S6-1b2e64d113e5", "bilayer_uid": "P2Ti2S6-1b2e64d113e5-2-1_0_0_1--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 3 4 4 4 7 7 7 1 0 3 2 7 7 7 4 4 4]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "interlayer_magnetic_exchange": -0.006595012389837507, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 23.853312715709773, "binding_energy_gs": 20.583340618137886, "distance": 3.1533750000000023}


unique_id: 2309e69c898d649ab2dd5951d465d1ba
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "P2Ti2S6-1b2e64d113e5-2-1_0_0_1--1.0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/PTiS3/P2Ti2S6-1b2e64d113e5/P2S6Ti2-2-1_0_0_1--1.0_-1.0", "stoichiometry": "ABC3", "monolayer_uid": "P2Ti2S6-1b2e64d113e5", "bilayer_uid": "P2Ti2S6-1b2e64d113e5-2-1_0_0_1--1.0_-1.0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 0 2 3 4 4 4 7 7 7 0 0 3 2 7 7 7 4 4 4]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "interlayer_magnetic_exchange": -0.00743156255516908, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 23.359319034459215, "binding_energy_gs": 20.102107348764683, "distance": 3.1533750000000023}


unique_id: 95365fb5d14a807e8b7866a8919e17bf
username: jensj
key_value_pairs:
  {"uid": "P2Ti2S6-1b2e64d113e5-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/PTiS3/P2Ti2S6-1b2e64d113e5/P2S6Ti2-2--1_0_0_-1-0.5_0", "stoichiometry": "ABC3", "monolayer_uid": "P2Ti2S6-1b2e64d113e5", "bilayer_uid": "P2Ti2S6-1b2e64d113e5-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 0 1 3 2 9 8 7 6 5 4]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 22.59206457913057, "binding_energy_gs": 19.32965354949662, "distance": 3.2718750000000014}


unique_id: 416547ebce632ba4dbbdc243072101b2
username: jensj
key_value_pairs:
  {"uid": "P2Ti2S6-1b2e64d113e5-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/PTiS3/P2Ti2S6-1b2e64d113e5/P2S6Ti2-2--1_0_0_-1-0.79_0.58", "stoichiometry": "ABC3", "monolayer_uid": "P2Ti2S6-1b2e64d113e5", "bilayer_uid": "P2Ti2S6-1b2e64d113e5-2--1_0_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 0 1 3 2 9 8 7 6 5 4]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 21.47445333440196, "binding_energy_gs": 18.20890515213666, "distance": 3.370625000000002}


unique_id: 19c00b9186502c06d14ed8ee7826ddf4
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "P2Ti2S6-1b2e64d113e5-2--1_0_0_-1-0.67_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/PTiS3/P2Ti2S6-1b2e64d113e5/P2S6Ti2-2--1_0_0_-1-0.67_0", "stoichiometry": "ABC3", "monolayer_uid": "P2Ti2S6-1b2e64d113e5", "bilayer_uid": "P2Ti2S6-1b2e64d113e5-2--1_0_0_-1-0.67_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  0  2  3  4  5  5  7  8  8 10 10 12 13 14 15 15 17 18 18]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0, "interlayer_magnetic_exchange": -0.004187113918689533, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 21.360974798288492, "binding_energy_gs": 20.497943532535803, "distance": 3.194109375000007}


unique_id: f6fcee6f95835afa3f6234f0facf89c3
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "P2Ti2S6-1b2e64d113e5-2--1_0_0_-1-0.67_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/PTiS3/P2Ti2S6-1b2e64d113e5/P2S6Ti2-2--1_0_0_-1-0.67_0.67", "stoichiometry": "ABC3", "monolayer_uid": "P2Ti2S6-1b2e64d113e5", "bilayer_uid": "P2Ti2S6-1b2e64d113e5-2--1_0_0_-1-0.67_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  0  2  3  4  5  4  7  8  7 10 10 12 13 14 15 14 17 18 17]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "interlayer_magnetic_exchange": -0.004184817884237191, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 21.356062915285424, "binding_energy_gs": 20.496810061621385, "distance": 3.194109375000007}


unique_id: c47a7d5536dbee6a3d9c2406aed8ec09
username: jensj
key_value_pairs:
  {"uid": "P2Ti2S6-1b2e64d113e5-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/PTiS3/P2Ti2S6-1b2e64d113e5/P2S6Ti2-2-1_0_0_1-0.79_0.58", "stoichiometry": "ABC3", "monolayer_uid": "P2Ti2S6-1b2e64d113e5", "bilayer_uid": "P2Ti2S6-1b2e64d113e5-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 1 0 3 2 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 20.81328679258527, "binding_energy_gs": 17.548159939364094, "distance": 3.4298750000000027}


unique_id: 28c5d7b49b6497f266aee3c0a4d81570
username: jensj
key_value_pairs:
  {"uid": "P2Ti2S6-1b2e64d113e5-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/PTiS3/P2Ti2S6-1b2e64d113e5/P2S6Ti2-2-1_0_0_1-0.5_0", "stoichiometry": "ABC3", "monolayer_uid": "P2Ti2S6-1b2e64d113e5", "bilayer_uid": "P2Ti2S6-1b2e64d113e5-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 0 2 3 4 5 4 7 8 7 0 0 3 2 7 8 7 4 5 4]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 20.396965815374518, "binding_energy_gs": 17.13166984126641, "distance": 3.479250000000004}


unique_id: e109ca5320ff4ad4796c14053159fa79
username: jensj
key_value_pairs:
  {"uid": "P2Ti2S6-1b2e64d113e5-2--1_0_0_-1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/PTiS3/P2Ti2S6-1b2e64d113e5/P2S6Ti2-2--1_0_0_-1-0_0", "stoichiometry": "ABC3", "monolayer_uid": "P2Ti2S6-1b2e64d113e5", "bilayer_uid": "P2Ti2S6-1b2e64d113e5-2--1_0_0_-1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 3 4 4 4 7 7 7 0 1 3 2 7 7 7 4 4 4]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.553087442381454, "binding_energy_gs": 15.283201950257537, "distance": 3.6668750000000028}


unique_id: bb660beb50171a893b7ad804800898aa
username: jensj
key_value_pairs:
  {"uid": "P2Ti2S6-1b2e64d113e5-2--1_0_0_-1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC3/PTiS3/P2Ti2S6-1b2e64d113e5/P2S6Ti2-2--1_0_0_-1--0.67_-0.33", "stoichiometry": "ABC3", "monolayer_uid": "P2Ti2S6-1b2e64d113e5", "bilayer_uid": "P2Ti2S6-1b2e64d113e5-2--1_0_0_-1--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 79, "layer_group": "p-62m", "space_group_number": 189, "space_group": "P-62m", "equivalent_atoms": "[0 0 2 3 4 4 4 7 7 7 0 0 3 2 7 7 7 4 4 4]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.26758336738646, "binding_energy_gs": 15.002532026478525, "distance": 3.686625000000001}


unique_id: 582b7e30d2320904954f4f02dc8b9a27
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 2.031, "gap_pbe_dir": 2.093, "gap_pbe_nosoc": 2.062, "gap_pbe_dir_nosoc": 2.132, "dipz": 0.001}


unique_id: 3ea166c6f912c31bac48167f8ce3424f
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.45_0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz-0.45_0.32", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.45_0.32", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 50.56582957929125, "binding_energy_gs": 11.95388645165597, "distance": 2.935041209521531}


unique_id: 230e427a368ed44658ae0f52b94e9e46
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.55_0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz--0.55_0.32", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.55_0.32", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 2.028, "gap_pbe_dir": 2.067, "gap_pbe_nosoc": 2.064, "gap_pbe_dir_nosoc": 2.101, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0003505174445876946, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 50.56581264008845, "binding_energy_gs": 11.955095387415401, "distance": 2.9338068345215316}


unique_id: a86bb6ac566240b48ca30a0be5c660a3
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.56_0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz--0.56_0.32", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.56_0.32", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 2.029, "gap_pbe_dir": 2.068, "gap_pbe_nosoc": 2.065, "gap_pbe_dir_nosoc": 2.102, "dipz": 0.0, "interlayer_magnetic_exchange": 0.00037254324182356413, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 50.56311097797996, "binding_energy_gs": 11.95236338308188, "distance": 2.9338068345215316}


unique_id: 5d88977c79e376fc8fce6c4464071b2d
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.59_0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz--0.59_0.02", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.59_0.02", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 50.53171573116535, "binding_energy_gs": 11.680173783224568, "distance": 2.972072459521529}


unique_id: a13c20082aac6a6551b7f629ca00ed3c
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.38_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz--0.38_0", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.38_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 50.35707940520314, "binding_energy_gs": 11.74737453079829, "distance": 2.963431834521531}


unique_id: 24a341f4b100f70b9738afce32046b2f
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.91_0.91", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz--0.91_0.91", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.91_0.91", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 50.35696537439959, "binding_energy_gs": 11.500058878362447, "distance": 3.0016974595215284}


unique_id: b79925dbb1e1a12f5f793d8abecfb528
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.37_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz--0.37_-0.01", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.37_-0.01", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 50.356744805283846, "binding_energy_gs": 11.746513444776093, "distance": 2.9609630845215325}


unique_id: baccd9a42efe44cb90f7ee66b8c7c2bc
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.38_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz--0.38_-0.01", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.38_-0.01", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 50.356094879882676, "binding_energy_gs": 11.744994943457238, "distance": 2.963431834521531}


unique_id: f5dd686602eb73acbe3f4669fde044fa
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.62_0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz--0.62_0.01", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.62_0.01", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 50.35392317359592, "binding_energy_gs": 11.742950517884072, "distance": 2.965900584521531}


unique_id: d9358142e82118c41129d373e1733389
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0.62_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz-0.62_-0.01", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0.62_-0.01", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 50.35346531836627, "binding_energy_gs": 11.741796027995244, "distance": 2.965900584521531}


unique_id: 67ec42e64ef8fc403da38cbbe151a441
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.11_-0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz-0.11_-0.03", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.11_-0.03", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 50.33968457199397, "binding_energy_gs": 11.731405590378985, "distance": 2.965900584521531}


unique_id: 717c8a403c6bfb0f07cb1e391d7ad6a4
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.11_-0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz-0.11_-0.02", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.11_-0.02", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 50.33852467066025, "binding_energy_gs": 11.727612035315994, "distance": 2.965900584521531}


unique_id: 1c3c7d2316098b7a2dc5312c178c85c6
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 5, "layer_group": "p11a", "space_group_number": 7, "space_group": "Pc", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 50.32478956972289, "binding_energy_gs": 11.473844528607724, "distance": 3.0115724595215294}


unique_id: 8153302d70ea1d53df655eb102eae93d
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1--0.57_0.25", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1--0.57_0.25", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1--0.57_0.25", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 50.32356297034129, "binding_energy_gs": 11.470687846827667, "distance": 3.005250000000002}


unique_id: dac630172f4a5256699b94323468444a
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.57_0.25", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz--0.57_0.25", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.57_0.25", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 50.31537983488684, "binding_energy_gs": 11.462152160269099, "distance": 3.0016974595215284}


unique_id: a12021b9dbe66a88bc5eb2e02e822dc7
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.94_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1--0.94_0.68", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.94_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 50.28537329414943, "binding_energy_gs": 11.434404313782123, "distance": 3.005250000000002}


unique_id: e0973130e0d02b9cefdefe807da67a27
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1--0.6_0.27", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1--0.6_0.27", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1--0.6_0.27", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 50.28054284006389, "binding_energy_gs": 11.669433360302493, "distance": 2.9694531250000047}


unique_id: 730e4513ea972c5622db6b410d0b03db
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.68_0.94", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz--0.68_0.94", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.68_0.94", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 50.21378368782509, "binding_energy_gs": 11.361437687024306, "distance": 3.0115724595215294}


unique_id: 65e3ae74090cac3a9b4eeb22ff6615a1
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.7_0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-0.7_0.32", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.7_0.32", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 50.19482815348425, "binding_energy_gs": 11.585120529375482, "distance": 2.9842656250000044}


unique_id: df856aa1735547c15d4febd5466e6df4
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.4_-0.4", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz-0.4_-0.4", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.4_-0.4", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 50.19422523008558, "binding_energy_gs": 11.341650360359324, "distance": 3.0115724595215294}


unique_id: 48ab717d456e29bd686baae3640616ef
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1--0.25_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1--0.25_-0.33", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1--0.25_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 50.15695249641459, "binding_energy_gs": 11.30499192331446, "distance": 3.005250000000002}


unique_id: 181f1ea8d61549cde92cbbbe23b6de96
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.93_0.71", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1--0.93_0.71", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.93_0.71", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 50.13829569368274, "binding_energy_gs": 11.52933259598422, "distance": 2.987968750000004}


unique_id: 95db68fe77f470b302840e3b599b965b
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.72_0.06", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-0.72_0.06", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.72_0.06", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 50.13644373352474, "binding_energy_gs": 11.525554532279033, "distance": 2.9916718750000033}


unique_id: 59dcd7bec79e642cf6c6fd9b48254896
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.93_0.72", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1--0.93_0.72", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.93_0.72", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 50.13489203553744, "binding_energy_gs": 11.524023523481587, "distance": 2.987968750000004}


unique_id: d7b52b067cb8ac1229494969282f8e03
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.29_0.06", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1--0.29_0.06", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.29_0.06", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 50.13288647207248, "binding_energy_gs": 11.522159478287945, "distance": 2.990437500000004}


unique_id: 40ad1f82e928f311eadde1acad52c64c
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.65_0.65", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1--0.65_0.65", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.65_0.65", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 50.10628841697314, "binding_energy_gs": 11.252537844177796, "distance": 3.005250000000002}


unique_id: e1a9afaeedd285c02d6e2fc1b08a3e13
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0.52_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz-0.52_0", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0.52_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 50.09103343564752, "binding_energy_gs": 11.479389375771888, "distance": 3.0152755845215307}


unique_id: 174d6d84218483bb16f8b0429ada680c
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.33_0.25", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz-0.33_0.25", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.33_0.25", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 50.07117841186322, "binding_energy_gs": 11.213884489076706, "distance": 3.0411974595215288}


unique_id: b53f719027f62b9a49108650985b6926
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1--1.01_0.6", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1--1.01_0.6", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1--1.01_0.6", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 50.04605804404023, "binding_energy_gs": 11.434858987389267, "distance": 3.0077187500000058}


unique_id: 7cae01f34dcde9d9cd3c5d08e47cd8c4
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-0.4_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-0.4_-1.0", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-0.4_-1.0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 50.03922839963374, "binding_energy_gs": 11.42842890060795, "distance": 3.0114218750000052}


unique_id: cdc7850b0a6d07cec384614907cc258f
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.31_-0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz--0.31_-0.02", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.31_-0.02", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 50.03593317244185, "binding_energy_gs": 11.183241721321547, "distance": 3.0115724595215294}


unique_id: 9d8ec01e502ac607630e6523188c2198
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.4_-0.38", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz-0.4_-0.38", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.4_-0.38", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 49.96575605251763, "binding_energy_gs": 11.355954931622685, "distance": 3.0140412095215314}


unique_id: 3ba685a9ac889f217ed1d72a94a25910
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-0.46_-0.96", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-0.46_-0.96", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-0.46_-0.96", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 49.965378646974, "binding_energy_gs": 11.109808705745511, "distance": 3.0546250000000033}


unique_id: 7bf07a59ff8acd632d846926b6a9b363
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.41_-0.39", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz-0.41_-0.39", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.41_-0.39", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 49.96478077320868, "binding_energy_gs": 11.35368739508097, "distance": 3.0140412095215314}


unique_id: e3cba5f5387a816aec4959f3b8441a2e
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.4_0.61", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz-0.4_0.61", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.4_0.61", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 49.96320125678515, "binding_energy_gs": 11.351942465898116, "distance": 3.0140412095215314}


unique_id: eb4669de49e45debd2c4609993ae40c8
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.34_0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz--0.34_0.66", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.34_0.66", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 49.95668497323052, "binding_energy_gs": 11.10269146535595, "distance": 3.0510724595215297}


unique_id: a13ddc54729cd34db7d67178de8fc08a
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-0_0", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 49.9025815001838, "binding_energy_gs": 11.05022648258403, "distance": 3.0546249999999997}


unique_id: 2b189f14f4f17ef5ab39f5aa64568c48
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.4_0.65", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz-0.4_0.65", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.4_0.65", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 49.8922160419368, "binding_energy_gs": 11.280505551150714, "distance": 3.0251505845215316}


unique_id: 94a1b964dd489b4a1677c9ff5a0b0d6a
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.94_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz--0.94_0.68", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.94_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 49.87399336970645, "binding_energy_gs": 11.021060410783015, "distance": 3.0609474595215307}


unique_id: b6dd6f9e87a32ea3e4922b50564ea43e
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-1.09_-0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz-1.09_-0.32", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-1.09_-0.32", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 49.87106139020023, "binding_energy_gs": 11.260336831073039, "distance": 3.030088084521532}


unique_id: ac36e416a2277836fa06cf1215b8980b
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0.02_-0.59", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz-0.02_-0.59", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0.02_-0.59", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 49.861781120041805, "binding_energy_gs": 11.004457251698991, "distance": 3.0609474595215307}


unique_id: b00c80e124e945736a456f54cca510c2
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.31_-0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1--0.31_-0.02", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.31_-0.02", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 49.84540369428243, "binding_energy_gs": 10.992430713555578, "distance": 3.0546250000000033}


unique_id: bede8895ea5980adfca0096f921e2d57
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1--0.93_0.6", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1--0.93_0.6", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1--0.93_0.6", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 49.83517744564798, "binding_energy_gs": 10.982080969313309, "distance": 3.0447500000000023}


unique_id: 8871cb95a40b871d2e843a22f978850c
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--1.0_0.65", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz--1.0_0.65", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--1.0_0.65", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 49.81744728653295, "binding_energy_gs": 11.205311693649271, "distance": 3.035025584521531}


unique_id: c1929dbc31f47bc59c2d42c3918eaebc
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.99_0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz--0.99_0.66", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.99_0.66", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 49.81540446657802, "binding_energy_gs": 11.20449632060391, "distance": 3.035025584521531}


unique_id: 9058e57559b8e3b1aa8b87383bdc3fcd
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0_0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz-0_0.35", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0_0.35", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 49.81334391424431, "binding_energy_gs": 11.203148336954483, "distance": 3.037494334521531}


unique_id: b42fb330c89a315a0ad4964d17f9b33b
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.66_0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1--0.66_0.34", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.66_0.34", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 49.78597625600569, "binding_energy_gs": 10.930673643618437, "distance": 3.0743750000000016}


unique_id: a841e49350cc28fc07744c4a9bdc27d0
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0_-0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz-0_-0.08", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0_-0.08", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 49.78534094230906, "binding_energy_gs": 10.932181453612596, "distance": 3.080697459521529}


unique_id: 6ab0e8da1c7a2e6b2c631e994eb388e8
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0.02_0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz-0.02_0.31", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0.02_0.31", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 49.78051135868693, "binding_energy_gs": 10.930767365563236, "distance": 3.0609474595215307}


unique_id: cd48adf653234bf96e2be278ab04698e
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0.67_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz-0.67_0.68", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0.67_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 49.75574046477385, "binding_energy_gs": 11.145949819602857, "distance": 3.044900584521532}


unique_id: 6e9ee231c18dc429db8b6f0c36e0fa84
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.33_-0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz--0.33_-0.32", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.33_-0.32", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 49.75525091407249, "binding_energy_gs": 11.143482971263296, "distance": 3.044900584521532}


unique_id: a8561ea2465f7ba5dc5fbab3eb874446
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0.66_0.69", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz-0.66_0.69", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0.66_0.69", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 49.75427745162428, "binding_energy_gs": 11.143634790087608, "distance": 3.046134959521531}


unique_id: ae9a25d0705c973778cfdd1fbddc3ef9
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1--0.29_-0.05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1--0.29_-0.05", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1--0.29_-0.05", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 2.026, "gap_pbe_dir": 2.073, "gap_pbe_nosoc": 2.062, "gap_pbe_dir_nosoc": 2.122, "dipz": 0.001, "interlayer_magnetic_exchange": 0.0005155049849037141, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 49.742260065497454, "binding_energy_gs": 11.131571709999639, "distance": 3.0484531250000035}


unique_id: 6ec88223fef304a8b088f1e68f4f54ed
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-0.05_-0.72", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-0.05_-0.72", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-0.05_-0.72", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 49.73578228370777, "binding_energy_gs": 11.125389130312014, "distance": 3.049687500000001}


unique_id: 72cf60f7152c57369b3b0968a73ab9ee
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1--0.22_-0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1--0.22_-0.03", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1--0.22_-0.03", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 49.725163463203124, "binding_energy_gs": 10.873757688818845, "distance": 3.0842500000000026}


unique_id: 799fa69ccb4d02860aa59900830673ef
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.93_0.6", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz--0.93_0.6", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.93_0.6", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 49.713771964816814, "binding_energy_gs": 10.86186849285513, "distance": 3.070822459521528}


unique_id: bcfa0ab6745bb3a0935e6af4349837c8
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-0.12_-0.69", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-0.12_-0.69", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-0.12_-0.69", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 49.706284155108825, "binding_energy_gs": 10.855349770308429, "distance": 3.0743750000000016}


unique_id: 5e572d905e2ddf44e1a73296edefd7b5
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.59_-0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-0.59_-0.02", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.59_-0.02", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 49.67481511730687, "binding_energy_gs": 10.821727992059374, "distance": 3.0941250000000036}


unique_id: 379658d5b0bfda5e164d93e84b0ba9c6
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.01_0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-0.01_0.01", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.01_0.01", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 49.67319789579418, "binding_energy_gs": 11.061651043894777, "distance": 3.0632656250000068}


unique_id: 1cce94583cb73b7db16a87906ee44adf
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.22_-0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz--0.22_-0.03", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.22_-0.03", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 49.59145095753999, "binding_energy_gs": 10.736958773191674, "distance": 3.09057245952153}


unique_id: 207cc969629cc04a07739dcf8fb1e8cd
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.35_0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-0.35_0.35", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.35_0.35", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 49.549212472241344, "binding_energy_gs": 10.938192649736742, "distance": 3.073140625000004}


unique_id: abd13057901b6d84ac2b69b087423080
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.65_0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1--0.65_0.35", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.65_0.35", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 2.026, "gap_pbe_dir": 2.088, "gap_pbe_nosoc": 2.059, "gap_pbe_dir_nosoc": 2.126, "dipz": 0.001, "interlayer_magnetic_exchange": 0.00044916502018566007, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 49.54777623204184, "binding_energy_gs": 10.937889598736124, "distance": 3.0743750000000016}


unique_id: 52cd23e16269f773ea2ec8541b8057f6
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.34_0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-0.34_0.35", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.34_0.35", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 49.54376774602284, "binding_energy_gs": 10.932201489131405, "distance": 3.078078125000003}


unique_id: 8281295068a323a1b5da418964cc6fa7
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.25_0.26", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz--0.25_0.26", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.25_0.26", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 49.54257182122227, "binding_energy_gs": 10.689739538331551, "distance": 3.09057245952153}


unique_id: 6b40aa53104679ad298d30162e61ee62
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.27_-0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz--0.27_-0.02", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.27_-0.02", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 49.52658968319216, "binding_energy_gs": 10.914999226073485, "distance": 3.0844005845215285}


unique_id: 59577edd666da19df81c74579b8005e6
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.72_-0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz-0.72_-0.02", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.72_-0.02", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 49.525532532328796, "binding_energy_gs": 10.91658875121437, "distance": 3.0844005845215285}


unique_id: 46029000b89376c6014f06ef2ce06ab2
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.28_-0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz--0.28_-0.02", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.28_-0.02", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 49.525202989028024, "binding_energy_gs": 10.914063077236255, "distance": 3.0844005845215285}


unique_id: 624d8a419d33ea55a8dafba04882f3d0
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.25_-0.25", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz--0.25_-0.25", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.25_-0.25", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 49.3807827997448, "binding_energy_gs": 10.5255267421412, "distance": 3.1201974595215276}


unique_id: f2059aa40f40539edd3fe089279f84b8
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.25_0.25", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-0.25_0.25", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.25_0.25", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 49.378798079324355, "binding_energy_gs": 10.52731649014897, "distance": 3.1435000000000013}


unique_id: b13a7f62887c3470e73e7bdae44b900e
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.69_-0.12", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz-0.69_-0.12", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.69_-0.12", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 49.32904777491343, "binding_energy_gs": 10.476235813692753, "distance": 3.139947459521526}


unique_id: 63cf2dc5db1eed798e229399463ba5bb
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.77_0.65", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz--0.77_0.65", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.77_0.65", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 49.31585836627215, "binding_energy_gs": 10.70412196783919, "distance": 3.11896308452153}


unique_id: 5b6e28d9c0c715a1f350b19159250638
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.96_-0.46", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz-0.96_-0.46", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.96_-0.46", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 49.29317080949408, "binding_energy_gs": 10.441562710862572, "distance": 3.149822459521527}


unique_id: 7a6ef01a6c6b735fcf6db70a73497158
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.26_0.56", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz-0.26_0.56", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.26_0.56", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 49.17706095709499, "binding_energy_gs": 10.324668837179058, "distance": 3.169572459521529}


unique_id: 980a90dfefeb55e382d5dfec844916c7
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0.76_0.56", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz-0.76_0.56", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0.76_0.56", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 48.83801061454326, "binding_energy_gs": 9.984434205740921, "distance": 3.2386974595215285}


unique_id: 781691cb5040161d8a750bcd81b5591b
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 48.51017199219976, "binding_energy_gs": 9.65717389492088, "distance": 3.3015000000000008}


unique_id: 9c825c5d0267478e1f4d9a3b043e4cc8
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.68_0.94", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1--0.68_0.94", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.68_0.94", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 48.03469028375844, "binding_energy_gs": 9.180926701620331, "distance": 3.4002500000000015}


unique_id: 3a79da4412752778c1eac71a557e6f84
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.25_0.57", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz--0.25_0.57", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.25_0.57", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 47.995043889737715, "binding_energy_gs": 9.142180316783628, "distance": 3.406572459521529}


unique_id: c36f59e4025c3fd5f62cca8ff88667c6
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.76_0.56", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-0.76_0.56", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.76_0.56", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 47.99050380130696, "binding_energy_gs": 9.139075671237958, "distance": 3.3607500000000012}


unique_id: 8697c8644f8c451d71814d2ac2f44bc1
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1--0.91_0.91", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1--0.91_0.91", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1--0.91_0.91", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 47.93681980253901, "binding_energy_gs": 9.082850701164611, "distance": 3.4002500000000015}


unique_id: a22253173a88c77e2161cbfc5953447b
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.46_-0.96", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz-0.46_-0.96", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.46_-0.96", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 47.89718020600637, "binding_energy_gs": 9.043566585367554, "distance": 3.416447459521528}


unique_id: 2f3ab4a803961aa738923cc2333eab7b
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.59_0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1--0.59_0.02", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.59_0.02", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "Unstable-Max", "binding_energy_zscan": 47.788084445788186, "binding_energy_gs": 8.935882087920906, "distance": 3.439750000000002}


unique_id: 2e2817cbf68b1a107d5268dcb43b1370
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.02_0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-0.02_0.31", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-0.02_0.31", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "Unstable-Max", "binding_energy_zscan": 47.7685954163728, "binding_energy_gs": 8.915970333187351, "distance": 3.439750000000002}


unique_id: e8d7f5d858958157fe1784ac2ba04001
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-0_-0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-0_-0.08", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-0_-0.08", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "Unstable-Max", "binding_energy_zscan": 47.73772294358794, "binding_energy_gs": 8.885808473278226, "distance": 3.439750000000002}


unique_id: 162094cb91876cbbb14478ae67aab47b
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.6_0.93", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz--0.6_0.93", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.6_0.93", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 47.72935187817611, "binding_energy_gs": 8.876477083998148, "distance": 3.4460724595215275}


unique_id: a8c472f1928fa04d46575ab4ba25c68b
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.65_0.65", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz--0.65_0.65", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz--0.65_0.65", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "Unstable-Max", "binding_energy_zscan": 47.71557007018885, "binding_energy_gs": 8.859382365753232, "distance": 3.4460724595215275}


unique_id: fe595663a563da203100c5def71d8c8d
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1--0.25_0.26", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1--0.25_0.26", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1--0.25_0.26", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "Unstable-Max", "binding_energy_zscan": 47.68754367825463, "binding_energy_gs": 8.830564148788651, "distance": 3.4595000000000002}


unique_id: 61b3bd60f5c6bee2063435b191d477d1
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.25_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz--0.25_-0.33", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz--0.25_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "None", "binding_energy_zscan": 47.58473856623374, "binding_energy_gs": 8.731867132269825, "distance": 3.4756974595215304}


unique_id: 4044fd2fcd6b9d7976269ff89dabb461
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-0.26_0.56", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-0.26_0.56", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-0.26_0.56", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 47.290749643380686, "binding_energy_gs": 8.436908547158945, "distance": 3.5088749999999997}


unique_id: ca8fbb7f17a28f66d97c7e6e01593408
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.25_-0.25", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1--0.25_-0.25", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.25_-0.25", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 47.15709609329106, "binding_energy_gs": 8.30359704770959, "distance": 3.528624999999998}


unique_id: 9e84f0badb181ec1c2d39ab3c953bc1c
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.03_0.22", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz-0.03_0.22", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.03_0.22", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 47.13864487669992, "binding_energy_gs": 8.286131267393108, "distance": 3.525072459521528}


unique_id: e5020dd08558806b3a198a93995e9247
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.12_-0.69", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-Iz-0.12_-0.69", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-Iz-0.12_-0.69", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 47.09788580651301, "binding_energy_gs": 8.24440136635892, "distance": 3.534947459521529}


unique_id: c0591e100ba4a3dc8fc421f67756e4b1
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-0.4_-0.4", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2--1_0_0_-1-0.4_-0.4", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2--1_0_0_-1-0.4_-0.4", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 46.986684776727614, "binding_energy_gs": 8.134493158617241, "distance": 3.5582499999999975}


unique_id: f7a1665074de5df4ae910d273396a6c1
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.34_0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1--0.34_0.66", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1--0.34_0.66", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 46.937765378711156, "binding_energy_gs": 8.085282485580606, "distance": 3.5582499999999975}


unique_id: 92d39ddbcb6525e81bff135354c8f5e8
username: jensj
key_value_pairs:
  {"uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/CoZrBr6/CoZrBr6-47a72745bf3d/Br6CoZr-2-1_0_0_1-Iz-0_0", "stoichiometry": "ABC6", "monolayer_uid": "CoZrBr6-47a72745bf3d", "bilayer_uid": "CoZrBr6-47a72745bf3d-2-1_0_0_1-Iz-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 4, "layer_group": "p11m", "space_group_number": 6, "space_group": "Pm", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 46.88430926356366, "binding_energy_gs": 8.031133681644494, "distance": 3.594197459521526}


unique_id: fd36232742fc01788a5ca3ebef128d35
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 2 2 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 2.286, "gap_pbe_dir": 2.29, "gap_pbe_nosoc": 2.374, "gap_pbe_dir_nosoc": 2.384, "dipz": -0.0}


unique_id: b9c89359a89ca2c47c2f8bde0ea1bde5
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1-Iz--0.93_0.93", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2--1_0_0_-1-Iz--0.93_0.93", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1-Iz--0.93_0.93", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": true, "interlayer_magnetic_exchange": 0.0007933593696094476, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 26.84829120327258, "binding_energy_gs": -11.33178862595506, "distance": 3.301087302966465}


unique_id: 9c32e83949af0227a91ae08b7778f9b5
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1--0.67_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2-1_0_0_1--0.67_0.67", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1--0.67_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  2  2  5  5  5  8  9 10 10 10 13 13 13]", "has_inversion_symmetry": false, "magnetic": true, "interlayer_magnetic_exchange": 0.015534650493336244, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 26.643986249296926, "binding_energy_gs": -11.536108630435455, "distance": 3.326205306307708}


unique_id: 611441934a18d2eecf348c2c578de65a
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1-Iz--0.58_0.25", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2--1_0_0_-1-Iz--0.58_0.25", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1-Iz--0.58_0.25", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 26.405203430788816, "binding_energy_gs": -11.774926072123586, "distance": 3.357087868926433}


unique_id: b3c36a6f2316bce0ff3da98cf5cf4451
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1--0.58_0.25", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2--1_0_0_-1--0.58_0.25", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1--0.58_0.25", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 26.39321525324445, "binding_energy_gs": -11.78688921526368, "distance": 3.3573167318410206}


unique_id: 710b39ec727a062b22d2a68bd91dfba4
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-0.03_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2-1_0_0_1-0.03_0.68", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-0.03_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 26.392943991061582, "binding_energy_gs": -11.787185091139206, "distance": 3.3573167318410206}


unique_id: d42b78ef5f6c95046989638cb7d3923a
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-Iz--0.35_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2-1_0_0_1-Iz--0.35_0.68", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-Iz--0.35_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 26.364661615224687, "binding_energy_gs": -11.815491096812517, "distance": 3.3605211370854153}


unique_id: 1b61e1f9ac5b84a3c601cf36de6b3883
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1-Iz-0.4_-0.4", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2--1_0_0_-1-Iz-0.4_-0.4", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1-Iz-0.4_-0.4", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 2.276, "gap_pbe_dir": 2.281, "gap_pbe_nosoc": 2.362, "gap_pbe_dir_nosoc": 2.373, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0008092127814194328, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 26.22959815392492, "binding_energy_gs": -11.950503689658566, "distance": 3.37575472424642}


unique_id: 2625978bc9b2e4720008fcbdb181ae48
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1-Iz--0.27_0.27", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2--1_0_0_-1-Iz--0.27_0.27", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1-Iz--0.27_0.27", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 2.274, "gap_pbe_dir": 2.279, "gap_pbe_nosoc": 2.362, "gap_pbe_dir_nosoc": 2.372, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0007016193518865066, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 26.17138642948799, "binding_energy_gs": -12.008719474789126, "distance": 3.3819770093530845}


unique_id: 181fe01f530d7d33b76f1238849e1329
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2-1_0_0_1-0_0", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.98111290548789, "binding_energy_gs": -12.19908176633313, "distance": 3.407095012694324}


unique_id: a38d0998594237548967be6a603151c6
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2--1_0_0_-1-Iz-0.29_0.58", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1-Iz-0.29_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 25.848426320380003, "binding_energy_gs": -12.331669274836752, "distance": 3.439521137085414}


unique_id: 80ace377f273d3a84dcf5b4f259b2200
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 5, "layer_group": "p11a", "space_group_number": 7, "space_group": "Pc", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 25.66025049480984, "binding_energy_gs": -12.519910687216948, "distance": 3.4592711370854126}


unique_id: d7df497c4c3f1ab8ca69fd41813a728f
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1-Iz--0.59_0.27", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2--1_0_0_-1-Iz--0.59_0.27", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1-Iz--0.59_0.27", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.629067102612634, "binding_energy_gs": -11.717692405548709, "distance": 3.3457086370854174}


unique_id: dbf77b1cc20172dfc0fcfb45ace81d77
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-0_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2-1_0_0_1-0_0.68", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-0_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 6 5 7 3 2 4]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.62124514724943, "binding_energy_gs": -11.725603998443649, "distance": 3.345937500000005}


unique_id: 5cb6cc9c1f2ddb58dbd0910e33d80d7e
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-0.68_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2-1_0_0_1-0.68_0", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-0.68_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 5 7 6 2 4 3]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 25.61906920546673, "binding_energy_gs": -11.727816157937923, "distance": 3.3496406250000064}


unique_id: 439548cf306e682d3a187f6e5a159f13
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1--0.58_0.28", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2--1_0_0_-1--0.58_0.28", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1--0.58_0.28", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.613975154283295, "binding_energy_gs": -11.732791934397847, "distance": 3.350875000000004}


unique_id: ff3c5eeb1505c7541d079783a936090b
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1--0.58_0.29", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2--1_0_0_-1--0.58_0.29", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1--0.58_0.29", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 25.61043971106003, "binding_energy_gs": -11.736361891228142, "distance": 3.350875000000004}


unique_id: 29dad36be302c4a967504935d48cd206
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-Iz-0.68_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2-1_0_0_1-Iz-0.68_0.68", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-Iz-0.68_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.603035769511273, "binding_energy_gs": -11.743555588871523, "distance": 3.350646137085416}


unique_id: 98f9ae0e233dc6ff99811a120bc58ccb
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-Iz--0.32_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2-1_0_0_1-Iz--0.32_0.68", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-Iz--0.32_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.602608787822845, "binding_energy_gs": -11.744002620530177, "distance": 3.3494117620854187}


unique_id: 3ec3d39e3a79280d12b182a2de628bbd
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2-1_0_0_1-Iz-0.79_0.58", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 25.301891702803353, "binding_energy_gs": -12.878205886323512, "distance": 3.5283961370854158}


unique_id: 819eec3905d0d75ccb177674f43b4e90
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-0.84_0.52", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2-1_0_0_1-0.84_0.52", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-0.84_0.52", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 25.076366540329712, "binding_energy_gs": -12.270940809236519, "distance": 3.4348125000000067}


unique_id: eda8b5b93b0a170aef872414abb4443f
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2-1_0_0_1-0.79_0.58", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 24.97810646334461, "binding_energy_gs": -13.20200809923084, "distance": 3.578000000000003}


unique_id: 561866960fc19254e7df3013d9da6d82
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-Iz-0.52_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2-1_0_0_1-Iz-0.52_0", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-Iz-0.52_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 24.837386340064665, "binding_energy_gs": -12.509729891913606, "distance": 3.464208637085415}


unique_id: 3964f59bc24c6c41ebdece44537b47be
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2-1_0_0_1-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 5 7 6 2 4 3]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 24.51335275897846, "binding_energy_gs": -13.66672838398438, "distance": 3.6471250000000044}


unique_id: ef8ae7b8601b1c2fac6061f8c483bbb3
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2--1_0_0_-1-0.29_0.58", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1-0.29_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 23.959507850812955, "binding_energy_gs": -14.220640481741299, "distance": 3.7458750000000016}


unique_id: 900a6a21975701d6843b496b9b9abf18
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1--0.93_0.93", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2--1_0_0_-1--0.93_0.93", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1--0.93_0.93", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 23.84996715125027, "binding_energy_gs": -14.330141926258483, "distance": 3.780432119094092}


unique_id: d6b88d8b0355defe063e68522fe20888
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-Iz--0.67_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2-1_0_0_1-Iz--0.67_0.67", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-Iz--0.67_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  2  2  5  5  5  8  9 10 10 10 13 13 13]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "Unstable-Max", "binding_energy_zscan": 23.776089732069714, "binding_energy_gs": -14.40401069977043, "distance": 3.7864255412861656}


unique_id: b7d6e6dea39f2f48b4b2e1aee7f4ce17
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1-Iz--0.96_0.25", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2--1_0_0_-1-Iz--0.96_0.25", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1-Iz--0.96_0.25", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "None", "binding_energy_zscan": 23.717106858458457, "binding_energy_gs": -14.462965636674834, "distance": 3.7988701114994914}


unique_id: 45319c445bc4305570d41490366bed13
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1--0.35_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2-1_0_0_1--0.35_0.68", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1--0.35_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "Unstable-Max", "binding_energy_zscan": 23.710919027396674, "binding_energy_gs": -14.469171373156522, "distance": 3.799098974414079}


unique_id: db11fc8550cc95badf0672724733f8a4
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1--0.27_0.27", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2--1_0_0_-1--0.27_0.27", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1--0.27_0.27", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "None", "binding_energy_zscan": 23.651525185787598, "binding_energy_gs": -14.528560432310819, "distance": 3.811543544627405}


unique_id: c53891d32c51851f9b6469bf6ab92bb3
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1-0.4_-0.4", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2--1_0_0_-1-0.4_-0.4", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2--1_0_0_-1-0.4_-0.4", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "None", "binding_energy_zscan": 23.564052237651225, "binding_energy_gs": -14.616078534885693, "distance": 3.817765829734066}


unique_id: cf4eb3b69f873fc2910f9a1c892f4bee
username: jensj
key_value_pairs:
  {"uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-Iz-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfBr6/FeHfBr6-181fcd1ccbdd/Br6FeHf-2-1_0_0_1-Iz-0_0", "stoichiometry": "ABC6", "monolayer_uid": "FeHfBr6-181fcd1ccbdd", "bilayer_uid": "FeHfBr6-181fcd1ccbdd-2-1_0_0_1-Iz-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 74, "layer_group": "p-6", "space_group_number": 174, "space_group": "P-6", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "None", "binding_energy_zscan": 23.506981512870105, "binding_energy_gs": -14.673118711749655, "distance": 3.8237592519261394}


unique_id: cf8e408632b05b752e4c4934ebe51ffd
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 2 2 2 2 2]", "has_inversion_symmetry": false, "magnetic": false, "ehull": 0.10123723997268463, "dynamically_stable": "Yes"}


unique_id: 31b675016b1bb94e15a32b656d101db7
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2--1_0_0_-1-Iz--0.88_0.88", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2--1_0_0_-1-Iz--0.88_0.88", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2--1_0_0_-1-Iz--0.88_0.88", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.732522302851798, "distance": 3.53700166313004}


unique_id: 6830dfa7d2abe355f360f3ee0cc126da
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2-1_0_0_1--0.67_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2-1_0_0_1--0.67_0.67", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2-1_0_0_1--0.67_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  2  2  5  5  5  8  9 10 10 10 13 13 13]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.410468969232149, "distance": 3.5754465160692366}


unique_id: 195a88700ef1d216d00707010c2dd82f
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2--1_0_0_-1-Iz--0.53_0.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2--1_0_0_-1-Iz--0.53_0.2", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2--1_0_0_-1-Iz--0.53_0.2", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.083440569370628, "distance": 3.613659249709274}


unique_id: 98e7aa7f879a4583829a44d1bee183b8
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2-1_0_0_1-0.03_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2-1_0_0_1-0.03_0.68", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2-1_0_0_1-0.03_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.077059269607703, "distance": 3.613775309358852}


unique_id: 696ebdb51af4347f04156773d01a4381
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2--1_0_0_-1--0.53_0.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2--1_0_0_-1--0.53_0.2", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2--1_0_0_-1--0.53_0.2", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.037878035043583, "distance": 3.6201634415737907}


unique_id: 11759a4ab50c9b413551eafdbd75a193
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2-1_0_0_1-Iz--0.35_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2-1_0_0_1-Iz--0.35_0.68", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2-1_0_0_1-Iz--0.35_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.00533639291832, "distance": 3.6200473819242127}


unique_id: 9675be9c6bb5ebf8e549e82966365236
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2--1_0_0_-1-Iz-0.45_-0.45", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2--1_0_0_-1-Iz-0.45_-0.45", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2--1_0_0_-1-Iz-0.45_-0.45", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.829842316992915, "distance": 3.6392117785690203}


unique_id: 8b7822cc9b5ebaa442dfea24c6f4e21a
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2--1_0_0_-1-Iz--0.21_0.21", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2--1_0_0_-1-Iz--0.21_0.21", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2--1_0_0_-1-Iz--0.21_0.21", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.659901110899188, "distance": 3.6583761752138297}


unique_id: 57e0026f448b3de42a82ae467995d3b4
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2-1_0_0_1-0_0", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.432322750883035, "distance": 3.690432895938086}


unique_id: 2a98bbba6b88100b45323f37130903be
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2--1_0_0_-1-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2--1_0_0_-1-Iz-0.29_0.58", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2--1_0_0_-1-Iz-0.29_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.125849566283623, "distance": 3.741421894007999}


unique_id: cb0a6e6494d3544b9cd6dd74c38276d2
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 5, "layer_group": "p11a", "space_group_number": 7, "space_group": "Pc", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.077840603318323, "distance": 3.7478100262229344}


unique_id: c3f92511c03d80601c753ccfac58a344
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2-1_0_0_1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2-1_0_0_1-Iz-0.79_0.58", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2-1_0_0_1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.706319840259427, "distance": 3.8053032161573643}


unique_id: 6f00d8d9eb6c5452a8f05f1b40763371
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2-1_0_0_1-0.79_0.58", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.3216641548118, "distance": 3.8756887301712375}


unique_id: dd2d9cfec7f884e2047003911b7434fe
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2--1_0_0_-1-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2--1_0_0_-1-0.29_0.58", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2--1_0_0_-1-0.29_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.085247535900628, "distance": 3.9012412590309804}


unique_id: 830d7a6c5b86bb6f17aa1cc98516d82a
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2-1_0_0_1-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 5 7 6 2 4 3]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 10.729379854776491, "distance": 3.965122581180342}


unique_id: a3f551e3f6fdb78b358d5ca0fe4f2236
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2--1_0_0_-1--0.88_0.88", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2--1_0_0_-1--0.88_0.88", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2--1_0_0_-1--0.88_0.88", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 10.046371204111738, "distance": 4.10566148990894}


unique_id: aa799d2d1d79cca031f8a097bc0fe8f4
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2-1_0_0_1-Iz--0.67_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2-1_0_0_1-Iz--0.67_0.67", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2-1_0_0_1-Iz--0.67_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  2  2  5  5  5  8  9 10 10 10 13 13 13]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.948623370459792, "distance": 4.124709826904169}


unique_id: 30932397d4e6716234929c4c1ea4c649
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2--1_0_0_-1-Iz--0.91_0.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2--1_0_0_-1-Iz--0.91_0.2", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2--1_0_0_-1-Iz--0.91_0.2", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.877199092052617, "distance": 4.131097959119105}


unique_id: 3980d41007fbe8b079bcd3a62e3d1927
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2-1_0_0_1--0.35_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2-1_0_0_1--0.35_0.68", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2-1_0_0_1--0.35_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.873329065274408, "distance": 4.1312140187686825}


unique_id: e53e62573541dbb8c96ed4de68e86354
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2--1_0_0_-1--0.21_0.21", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2--1_0_0_-1--0.21_0.21", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2--1_0_0_-1--0.21_0.21", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.775157630663374, "distance": 4.15037841541349}


unique_id: 9dae58e1068fd3181cce6ec62b494b5f
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2--1_0_0_-1-0.45_-0.45", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2--1_0_0_-1-0.45_-0.45", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2--1_0_0_-1-0.45_-0.45", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.700298972481233, "distance": 4.163154679843366}


unique_id: 19bbc169f2aa1ebece9a290e54f426fe
username: jensj
key_value_pairs:
  {"uid": "FeHfI6-7894abe85502-2-1_0_0_1-Iz-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeHfI6/FeHfI6-7894abe85502/FeHfI6-2-1_0_0_1-Iz-0_0", "stoichiometry": "ABC6", "monolayer_uid": "FeHfI6-7894abe85502", "bilayer_uid": "FeHfI6-7894abe85502-2-1_0_0_1-Iz-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 74, "layer_group": "p-6", "space_group_number": 174, "space_group": "P-6", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.615067144008673, "distance": 4.175814884623659}


unique_id: 53ea79b122f39e8ba7d741edf9e6da50
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 2 2 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 1.92, "gap_pbe_dir": 1.975, "gap_pbe_nosoc": 1.935, "gap_pbe_dir_nosoc": 2.004, "dipz": -0.0}


unique_id: 330f736cc4d21fdafd9099f7009136b8
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-Iz-0.93_0.86", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2--1_0_0_-1-Iz-0.93_0.86", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-Iz-0.93_0.86", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 1.903, "gap_pbe_dir": 1.952, "gap_pbe_nosoc": 1.919, "gap_pbe_dir_nosoc": 1.978, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0008018385340733403, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 29.357784790253607, "binding_energy_gs": -10.556998143374217, "distance": 3.291438476977527}


unique_id: 82c0674c76b50ff495dda514fa2ceb71
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-0.67_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2-1_0_0_1-0.67_0.33", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-0.67_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  2  2  5  5  5  8  9 10 10 10 13 13 13]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 29.144909537351104, "binding_energy_gs": -10.770013614419188, "distance": 3.321250000000008}


unique_id: e4e977c71e9ba3938abe4224c65f47f6
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-Iz-0.26_0.84", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2--1_0_0_-1-Iz-0.26_0.84", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-Iz-0.26_0.84", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 28.88418000840583, "binding_energy_gs": -11.030560554856136, "distance": 3.340813476977525}


unique_id: bf7a5d9d1e686413109803f650f32a4a
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-0.26_0.84", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2--1_0_0_-1-0.26_0.84", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-0.26_0.84", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 28.875318168320472, "binding_energy_gs": -11.039457494701015, "distance": 3.3410000000000064}


unique_id: 2b93fefb11f0e6c7c27cd462173afc0a
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-0.68_0.65", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2-1_0_0_1-0.68_0.65", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-0.68_0.65", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 28.865129669034427, "binding_energy_gs": -11.049683027571843, "distance": 3.3410000000000064}


unique_id: 1a8c0883756ae23091bbf161fb0bc4d0
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-Iz-0.68_0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2-1_0_0_1-Iz-0.68_0.03", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-Iz-0.68_0.03", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 28.855529192095126, "binding_energy_gs": -11.059234841189589, "distance": 3.350688476977526}


unique_id: ab88c44643c74e3bdc8dc87fbff41e31
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-Iz-0.27_0.53", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2--1_0_0_-1-Iz-0.27_0.53", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-Iz-0.27_0.53", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 1.913, "gap_pbe_dir": 1.962, "gap_pbe_nosoc": 1.927, "gap_pbe_dir_nosoc": 1.988, "dipz": 0.0, "interlayer_magnetic_exchange": 0.000701177667181696, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 28.739674272135513, "binding_energy_gs": -11.175043708591149, "distance": 3.360563476977525}


unique_id: cb3159053c63800e0cbb1ff1b0404166
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-Iz--0.4_0.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2--1_0_0_-1-Iz--0.4_0.2", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-Iz--0.4_0.2", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 1.908, "gap_pbe_dir": 1.964, "gap_pbe_nosoc": 1.922, "gap_pbe_dir_nosoc": 1.991, "dipz": 0.0, "interlayer_magnetic_exchange": 0.000829091538903981, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 28.655375153153308, "binding_energy_gs": -11.25937926529322, "distance": 3.370438476977524}


unique_id: 78154de01e76642836e6f38b6d721246
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2-1_0_0_1-0_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 1.897, "gap_pbe_dir": 1.956, "gap_pbe_nosoc": 1.917, "gap_pbe_dir_nosoc": 1.992, "dipz": -0.0, "interlayer_magnetic_exchange": 0.0008155607074940008, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 28.486734652072453, "binding_energy_gs": -11.428242942285284, "distance": 3.4002500000000087}


unique_id: 42434a2c149468d4629916ddc5e8a25f
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-0.6_1.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2-1_0_0_1-0.6_1.2", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-0.6_1.2", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 28.167117560141513, "binding_energy_gs": -11.747610236828205, "distance": 3.4595000000000056}


unique_id: 28808c7625141d019caff1d6216e18a5
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 5, "layer_group": "p11a", "space_group_number": 7, "space_group": "Pc", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 28.15521118883102, "binding_energy_gs": -11.759514717214936, "distance": 3.459141575083285}


unique_id: 71c3a0282c65a1a797139ce7f9968838
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-Iz-0.27_0.86", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2--1_0_0_-1-Iz-0.27_0.86", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-Iz-0.27_0.86", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 28.105623762365017, "binding_energy_gs": -10.9678879536082, "distance": 3.340813476977525}


unique_id: b4b395b9789e768812df3bdce0a59471
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-Iz-0.27_0.87", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2--1_0_0_-1-Iz-0.27_0.87", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-Iz-0.27_0.87", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 28.105231935915466, "binding_energy_gs": -10.968320154190316, "distance": 3.340813476977525}


unique_id: ee1c6469e1350352f58b21a0f6b8a0f2
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-0.28_0.86", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2--1_0_0_-1-0.28_0.86", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-0.28_0.86", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 1.903, "gap_pbe_dir": 1.94, "gap_pbe_nosoc": 1.92, "gap_pbe_dir_nosoc": 1.976, "dipz": 0.001, "interlayer_magnetic_exchange": 0.000736768802156007, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 28.098103496731078, "binding_energy_gs": -10.975403426526471, "distance": 3.3410000000000064}


unique_id: 4f8b177d09a64f9e0d9459fb1af2911d
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-0.28_-0.14", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2--1_0_0_-1-0.28_-0.14", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-0.28_-0.14", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 28.094830528228815, "binding_energy_gs": -10.97877055407386, "distance": 3.3410000000000064}


unique_id: 91c7cd6ce966b1fcfee004e095b866b4
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-0.29_0.87", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2--1_0_0_-1-0.29_0.87", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-0.29_0.87", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 28.094140547593415, "binding_energy_gs": -10.979385743692685, "distance": 3.3410000000000064}


unique_id: 1d4b3b7bbdb091df3665a27dc5831269
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-0.68_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2-1_0_0_1-0.68_0.68", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-0.68_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 6 5 7 3 2 4]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 1.903, "gap_pbe_dir": 1.94, "gap_pbe_nosoc": 1.924, "gap_pbe_dir_nosoc": 1.98, "dipz": -0.0, "interlayer_magnetic_exchange": 0.0006164996263890998, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 28.093703584438718, "binding_energy_gs": -10.979844175228159, "distance": 3.342234375000009}


unique_id: ee064d23b5e2afbed0d6851f4fbeac93
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-Iz-0.32_0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2-1_0_0_1-Iz-0.32_0.01", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-Iz-0.32_0.01", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 1.9, "gap_pbe_dir": 1.949, "gap_pbe_nosoc": 1.923, "gap_pbe_dir_nosoc": 1.986, "dipz": 0.001, "interlayer_magnetic_exchange": 0.0006369248060593691, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 28.087045498494923, "binding_energy_gs": -10.98638191932732, "distance": 3.3432822269775286}


unique_id: 60f048fa25cc65abc2608dcc7c2e6102
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-Iz-0.68_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2-1_0_0_1-Iz-0.68_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-Iz-0.68_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 1.9, "gap_pbe_dir": 1.949, "gap_pbe_nosoc": 1.923, "gap_pbe_dir_nosoc": 1.986, "dipz": -0.001, "interlayer_magnetic_exchange": 0.012523236453247932, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 28.086463752277407, "binding_energy_gs": -10.986915278829736, "distance": 3.345750976977527}


unique_id: 76440934dc8331e48a7272fad6940e58
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-0.68_0.69", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2-1_0_0_1-0.68_0.69", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-0.68_0.69", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 28.082435797238986, "binding_energy_gs": -10.991200315698642, "distance": 3.3410000000000064}


unique_id: bc7af25e763a5536e5d9d004a4a127a8
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-0.32_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2-1_0_0_1-0.32_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-0.32_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 28.080551067067354, "binding_energy_gs": -10.992988535555815, "distance": 3.345937500000007}


unique_id: 929c4bd06f6b3e14cd4ed99a2c4c1f4d
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-0.41_-0.13", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2--1_0_0_-1-0.41_-0.13", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-0.41_-0.13", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 27.74013697980075, "binding_energy_gs": -11.333928033401342, "distance": 3.4076562500000094}


unique_id: eb79c18b27bce7a01ce53cccfde2e806
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 27.632146218120486, "binding_energy_gs": -12.282578670030498, "distance": 3.5464671079841725}


unique_id: 992579b3ffe3084fef2c45c72b6cfde7
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-Iz-0.46_0.05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2--1_0_0_-1-Iz-0.46_0.05", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-Iz-0.46_0.05", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 27.424229902916178, "binding_energy_gs": -11.649674466879198, "distance": 3.443266601977525}


unique_id: 27fd340380252ad6402e2096f3d399cc
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-Iz-0.48_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2-1_0_0_1-Iz-0.48_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-Iz-0.48_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 27.32413839433785, "binding_energy_gs": -11.749838333704696, "distance": 3.454375976977527}


unique_id: 39b6f35ca8ce57824bafdcad6ea12e71
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2--1_0_0_-1-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 27.221967145917123, "binding_energy_gs": -12.692753800476043, "distance": 3.609029011650147}


unique_id: d2e819c466117944daa7eab76acf2905
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2-1_0_0_1-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 26.999076916159062, "binding_energy_gs": -12.915643066331558, "distance": 3.64645424003624}


unique_id: 29d80d679ea0be21cc0305c25ad3fdc8
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-Iz-0.6_1.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2-1_0_0_1-Iz-0.6_1.2", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-Iz-0.6_1.2", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 26.701186981874212, "binding_energy_gs": -13.213531800630058, "distance": 3.6963134769775223}


unique_id: 11c5eb1b22f8ff93d3ffb5eaafdb68a6
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-0.93_0.86", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2--1_0_0_-1-0.93_0.86", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-0.93_0.86", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 26.366267609257964, "binding_energy_gs": -13.54848654575306, "distance": 3.7656250000000053}


unique_id: 8b0528797a3d6bafd0724dfde011e2ff
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-Iz-0.67_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2-1_0_0_1-Iz-0.67_0.33", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-Iz-0.67_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  2  2  5  5  5  8  9 10 10 10 13 13 13]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 26.29139051373962, "binding_energy_gs": -13.623405846817654, "distance": 3.7753134769775247}


unique_id: 55b5d33c31b349be5cac9207422ae825
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-Iz-0.26_0.22", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2--1_0_0_-1-Iz-0.26_0.22", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-Iz-0.26_0.22", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 26.228509096324714, "binding_energy_gs": -13.68731252947134, "distance": 3.7851884769775257}


unique_id: a0d128aabc6882965613edd5bdf4795c
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-0.68_0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2-1_0_0_1-0.68_0.03", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-0.68_0.03", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 26.219974247199207, "binding_energy_gs": -13.694748462195625, "distance": 3.7853750000000037}


unique_id: 1ebe119af4e0ac0f184edc9b2cbff088
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-0.27_0.53", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2--1_0_0_-1-0.27_0.53", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1-0.27_0.53", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 26.18785852878437, "binding_energy_gs": -13.726872561828698, "distance": 3.795250000000003}


unique_id: 36a51d15c12450a13131c1096be3a9b7
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1--0.4_0.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2--1_0_0_-1--0.4_0.2", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2--1_0_0_-1--0.4_0.2", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 26.04618987246896, "binding_energy_gs": -13.868534299651756, "distance": 3.8051250000000056}


unique_id: e591dff9fda52e4122fa4f1443e2d4a5
username: jensj
key_value_pairs:
  {"uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-Iz-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrBr6/FeZrBr6-248e1ae388d3/Br6FeZr-2-1_0_0_1-Iz-0_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrBr6-248e1ae388d3", "bilayer_uid": "FeZrBr6-248e1ae388d3-2-1_0_0_1-Iz-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 74, "layer_group": "p-6", "space_group_number": 174, "space_group": "P-6", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 26.00827384571722, "binding_energy_gs": -13.906437184501632, "distance": 3.8148134769775233}


unique_id: 2e8c4fca9b17764e979e5ef78ac269c1
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 2 2 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "ehull": 0.0935190368086023, "dynamically_stable": "Yes", "gap_pbe": 1.953, "gap_pbe_dir": 1.97, "gap_pbe_nosoc": 1.971, "gap_pbe_dir_nosoc": 1.989, "dipz": -0.0}


unique_id: f7e8bca8afb4b86ae72b2fe514250084
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-Iz--1.0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1-Iz--1.0_-1.0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-Iz--1.0_-1.0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 35.693179973817124, "binding_energy_gs": -6.862319951411557, "distance": 3.1830541204612643}


unique_id: 4189b22d3236a7f684b8b2dbe7accc47
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2-1_0_0_1--0.33_-0.67", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  2  2  5  5  5  8  9 10 10 10 13 13 13]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 35.60558105772386, "binding_energy_gs": -6.94999632087842, "distance": 3.202750000000009}


unique_id: 2872fc3f6c16ac43745576037e13f12d
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-Iz--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 35.36752356380271, "binding_energy_gs": -7.188016745157901, "distance": 3.2423041204612684}


unique_id: 1333ce850180c3f3936dad823e5d9778
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1--0.35_0.94", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1--0.35_0.94", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1--0.35_0.94", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 35.333695345277604, "binding_energy_gs": -7.221893415383712, "distance": 3.242250000000011}


unique_id: c6331b565ec4c65c49615b9c39b61efd
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-Iz--0.35_-0.29", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1-Iz--0.35_-0.29", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-Iz--0.35_-0.29", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 35.29949629961812, "binding_energy_gs": -7.256028947376192, "distance": 3.252179120461266}


unique_id: 747376872f1a8738c316652e5a40137b
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-Iz-0_0.62", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2-1_0_0_1-Iz-0_0.62", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-Iz-0_0.62", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 35.29836012990216, "binding_energy_gs": -7.25722612804016, "distance": 3.2423041204612684}


unique_id: 13cf0d47846f990c065fd6ad0d7aa0b8
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-0_-0.62", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2-1_0_0_1-0_-0.62", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-0_-0.62", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 5 7 6 2 4 3]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 35.25378547519666, "binding_energy_gs": -7.302577633706304, "distance": 3.2620000000000093}


unique_id: 6f43b5e8e033c84666ebfe094ad43eca
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-Iz--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1-Iz--0.33_0.33", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-Iz--0.33_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 35.24788523543411, "binding_energy_gs": -7.307680297613257, "distance": 3.252179120461266}


unique_id: 7a1e37cff744e8b9a0e5699f056bc630
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 35.23054889206245, "binding_energy_gs": -7.3250291698049255, "distance": 3.276652782790146}


unique_id: c9a1be541acc48dbcc30daae0f0e7732
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2-1_0_0_1-0_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 35.115924883224174, "binding_energy_gs": -7.439648662972883, "distance": 3.2718750000000103}


unique_id: 982a764491ea761d7683bf89e26f42b3
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 5, "layer_group": "p11a", "space_group_number": 7, "space_group": "Pc", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 34.95949554138657, "binding_energy_gs": -7.5961957331282575, "distance": 3.313244300082708}


unique_id: 7f5b590fd745f73d31c83af5bf8b61e8
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2-1_0_0_1-Iz-0.79_0.58", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 34.670370537641894, "binding_energy_gs": -7.885256437946032, "distance": 3.3741399614682166}


unique_id: 647e372800ccd3d2c36e38fd63233458
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1-0.79_0.58", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 34.533874884514574, "binding_energy_gs": -8.022035480780497, "distance": 3.38626497328406}


unique_id: b9925b169e8ec6126458b7e8f3bc78f0
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2-1_0_0_1-0.79_0.58", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 34.432414326842306, "binding_energy_gs": -8.123261580424751, "distance": 3.4167128039768144}


unique_id: a67735b46b44d53a6e024b574d97a437
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 34.30456292312197, "binding_energy_gs": -8.248805845028812, "distance": 3.441125188992274}


unique_id: cea44d7210be4f8c3d45d4292b279193
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1-Iz-0.79_0.58", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 34.26117475388026, "binding_energy_gs": -8.294520959967423, "distance": 3.441125188992274}


unique_id: 55c162a33a51aedfc4713b2d2d897d75
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2-1_0_0_1-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 34.08106804032606, "binding_energy_gs": -8.474491894097536, "distance": 3.4693750000000065}


unique_id: 1cb48713b84740349ea6c48afaf4da46
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-Iz--0.35_-0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1-Iz--0.35_-0.34", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-Iz--0.35_-0.34", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 34.06425951407944, "binding_energy_gs": -7.052774772801171, "distance": 3.2176166204612677}


unique_id: d8ae2040d87448a254482e4fed180383
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-0.33_0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2-1_0_0_1-0.33_0.01", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-0.33_0.01", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 34.06217111724373, "binding_energy_gs": -7.054073953767388, "distance": 3.217562500000012}


unique_id: f58ffe379eca2cd9cfb732918e6a5f91
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-0_-0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2-1_0_0_1-0_-0.68", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-0_-0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 5 7 6 2 4 3]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 34.053736483270484, "binding_energy_gs": -7.063565331433115, "distance": 3.220031250000014}


unique_id: c04fb61ff0b61a48adff9d7b99e4b10f
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-1.0_0.65", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1-1.0_0.65", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-1.0_0.65", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 34.04042908889576, "distance": 3.222500000000011}


unique_id: f7c04de497ed60cd41bffdce1068f3e6
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-Iz-0.68_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2-1_0_0_1-Iz-0.68_0.67", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-Iz-0.68_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 34.0355518120531, "distance": 3.2225541204612664}


unique_id: 8eb96c5d7ddadc52913a668aeaace1d6
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-0.65_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1-0.65_-0.01", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-0.65_-0.01", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 34.03466909148115, "distance": 3.222500000000009}


unique_id: 92617c5ff99b629e9a8d1d88fad5b32e
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-0.53_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1-0.53_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-0.53_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 33.81214958279549, "binding_energy_gs": -7.30410420747736, "distance": 3.2718750000000103}


unique_id: a90b557eb735d70906e9f0c46b478922
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-0.52_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1-0.52_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-0.52_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 33.796603728994995, "binding_energy_gs": -7.320732757489656, "distance": 3.276812500000009}


unique_id: 5f0e94a40ed247cc0c0f85d880a9174a
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-Iz-0.81_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2-1_0_0_1-Iz-0.81_0.67", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-Iz-0.81_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 33.73115623802864, "binding_energy_gs": -7.385788541334608, "distance": 3.2842728704612707}


unique_id: b469ea3c4af71bd9576df0f9a23776c5
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-0.68_0.52", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2-1_0_0_1-0.68_0.52", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-0.68_0.52", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 33.69360835981365, "binding_energy_gs": -7.424238058766887, "distance": 3.2916250000000087}


unique_id: 5a7e5224b5dd28c67fc9af80b816c41f
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-0.86_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1-0.86_0.67", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-0.86_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 33.57631014484207, "binding_energy_gs": -7.540772622721338, "distance": 3.301500000000008}


unique_id: d7cc5e1ff0139892b4bfad9a5eb56f0e
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-Iz-0.48_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2-1_0_0_1-Iz-0.48_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-Iz-0.48_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 33.53023713969523, "binding_energy_gs": -7.588012875660172, "distance": 3.3114291204612663}


unique_id: aa9d3990fc24a9f114522d66f1bb8806
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1--1.0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1--1.0_-1.0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1--1.0_-1.0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 33.4478146666546, "binding_energy_gs": -9.107812110992619, "distance": 3.5780000000000083}


unique_id: cc3223de241f98898af8a6ff2b167a84
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2-1_0_0_1-Iz--0.33_-0.67", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  2  2  5  5  5  8  9 10 10 10 13 13 13]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 33.4270151451574, "binding_energy_gs": -9.12854260207018, "distance": 3.5978041204612676}


unique_id: dbc5874339103f3cbb5a273ead0ee682
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-Iz--0.35_0.94", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1-Iz--0.35_0.94", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1-Iz--0.35_0.94", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 33.42694806668256, "binding_energy_gs": -9.128589726225192, "distance": 3.5879291204612667}


unique_id: 18a920c1aeabe22e85e66cd1b8a6ddb6
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-0_0.62", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2-1_0_0_1-0_0.62", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-0_0.62", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 5 7 6 2 4 3]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 33.39665062005862, "binding_energy_gs": -9.158962432706996, "distance": 3.59775000000001}


unique_id: 4cd22f31fcbacfb2e2b945c384e4f8ca
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1--0.67_-0.33", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 33.36970423801852, "binding_energy_gs": -9.18584798924025, "distance": 3.59775000000001}


unique_id: e12090d766ee54927699f33ea2488417
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2--1_0_0_-1--0.33_0.33", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2--1_0_0_-1--0.33_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 33.225571506810745, "binding_energy_gs": -9.330198136049832, "distance": 3.617500000000007}


unique_id: 837867578d8615edf40ef9c04a0dfd0c
username: jensj
key_value_pairs:
  {"uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-Iz-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrCl6/FeZrCl6-7a4195b3cc8f/Cl6FeZr-2-1_0_0_1-Iz-0_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrCl6-7a4195b3cc8f", "bilayer_uid": "FeZrCl6-7a4195b3cc8f-2-1_0_0_1-Iz-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 74, "layer_group": "p-6", "space_group_number": 174, "space_group": "P-6", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1535673, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 33.186459507688795, "binding_energy_gs": -9.369052769049187, "distance": 3.627429120461265}


unique_id: ee86382e468df334ccb910be34e1a4fa
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 2 2 2 2 2]", "has_inversion_symmetry": false, "magnetic": false, "ehull": 0.08823763187333888, "dynamically_stable": "Yes"}


unique_id: c6d2815e6f943f2765b23fee7d468f9f
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2--1_0_0_-1-Iz--0.88_0.88", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2--1_0_0_-1-Iz--0.88_0.88", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2--1_0_0_-1-Iz--0.88_0.88", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.679289190483031, "distance": 3.5153572585011066}


unique_id: a10519b21cb49c9314cc8bc07bfa9431
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2-1_0_0_1--0.67_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2-1_0_0_1--0.67_0.67", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2-1_0_0_1--0.67_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  2  2  5  5  5  8  9 10 10 10 13 13 13]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.324954187774678, "distance": 3.553895467485141}


unique_id: 63c563f50ce4b4a3fbe706cc719c0057
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2--1_0_0_-1-Iz--0.52_0.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2--1_0_0_-1-Iz--0.52_0.2", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2--1_0_0_-1-Iz--0.52_0.2", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.940886981605708, "distance": 3.5985402625838177}


unique_id: 7d098cc0ee031b8a56d8b4d8deca36c5
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2-1_0_0_1-0.04_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2-1_0_0_1-0.04_0.68", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2-1_0_0_1-0.04_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.933308334511011, "distance": 3.6050850084591204}


unique_id: aeb302431df6e627aedfdfb6e8b4bc04
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2--1_0_0_-1--0.52_0.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2--1_0_0_-1--0.52_0.2", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2--1_0_0_-1--0.52_0.2", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.902363699158885, "distance": 3.6050850084591204}


unique_id: c634f3c773195335b16e376ae29780ea
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2-1_0_0_1-Iz--0.35_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2-1_0_0_1-Iz--0.35_0.68", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2-1_0_0_1-Iz--0.35_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.885603283094675, "distance": 3.604938955205565}


unique_id: 5e8277e0c4cac8301d50b20db980159c
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2--1_0_0_-1-Iz-0.45_-0.45", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2--1_0_0_-1-Iz-0.45_-0.45", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2--1_0_0_-1-Iz-0.45_-0.45", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.6407432391176, "distance": 3.636932418314302}


unique_id: 4fa60ce8bb7bea8919374c9d9fa6a033
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2--1_0_0_-1-Iz--0.21_0.21", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2--1_0_0_-1-Iz--0.21_0.21", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2--1_0_0_-1-Iz--0.21_0.21", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.617115788838184, "distance": 3.6433311109360496}


unique_id: 74bd9941b1bd4a815d8e19d39eb2a4ba
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2-1_0_0_1-0_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.326994372560982, "distance": 3.67547062729834}


unique_id: 82c1d8512c31fc2811eb697923aee44a
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2--1_0_0_-1-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2--1_0_0_-1-Iz-0.29_0.58", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2--1_0_0_-1-Iz-0.29_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.987255880909675, "distance": 3.732912807640508}


unique_id: afe6dccad20de5c854b7ee80a659ece7
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 5, "layer_group": "p11a", "space_group_number": 7, "space_group": "Pc", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.972432891647316, "distance": 3.732912807640508}


unique_id: e9cc46f9e84f16cb95347ed36f447aa9
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2-1_0_0_1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2-1_0_0_1-Iz-0.79_0.58", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2-1_0_0_1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.60002246252887, "distance": 3.790501041236233}


unique_id: 543707fec5a618823e213aafa263acfb
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2-1_0_0_1-0.79_0.58", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.235056303422217, "distance": 3.854634020707259}


unique_id: 490589ea2e3447dc9fd05a38df0cd88c
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2--1_0_0_-1-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2--1_0_0_-1-0.29_0.58", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2--1_0_0_-1-0.29_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 10.979412847859427, "distance": 3.886627483815994}


unique_id: 9695c80c0676f3fe7530a6e3947657a4
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2-1_0_0_1-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 5 7 6 2 4 3]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 10.632036513711503, "distance": 3.944215717411721}


unique_id: 4be11d81bfe051e35a2612a6a1163811
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2--1_0_0_-1--0.88_0.88", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2--1_0_0_-1--0.88_0.88", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2--1_0_0_-1--0.88_0.88", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.963843553419483, "distance": 4.091385647711904}


unique_id: 775ed9e7d82804939b72023764ff7f1f
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2-1_0_0_1-Iz--0.67_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2-1_0_0_1-Iz--0.67_0.67", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2-1_0_0_1-Iz--0.67_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  2  2  5  5  5  8  9 10 10 10 13 13 13]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.860525801887306, "distance": 4.104036979701846}


unique_id: db3512f2edb34b4d228e65f6f038751d
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2--1_0_0_-1-Iz--0.91_0.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2--1_0_0_-1-Iz--0.91_0.2", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2--1_0_0_-1-Iz--0.91_0.2", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.787793867091148, "distance": 4.116834364945339}


unique_id: 9e5b5f61d91afede79cc6567b5901b88
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2-1_0_0_1--0.35_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2-1_0_0_1--0.35_0.68", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2-1_0_0_1--0.35_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.783514055165266, "distance": 4.116980418198894}


unique_id: 6fa07ccf2077758e2d3e45dccf903390
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2--1_0_0_-1--0.21_0.21", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2--1_0_0_-1--0.21_0.21", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2--1_0_0_-1--0.21_0.21", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.712938630911202, "distance": 4.136176496064133}


unique_id: ef169e5472c079f6e63f4939b6716d53
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2--1_0_0_-1-0.45_-0.45", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2--1_0_0_-1-0.45_-0.45", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2--1_0_0_-1-0.45_-0.45", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.575476289991316, "distance": 4.148973881307628}


unique_id: cb3658441dbc3cb09e961c89b1c98f93
username: jensj
key_value_pairs:
  {"uid": "FeZrI6-8357694f8740-2-1_0_0_1-Iz-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/FeZrI6/FeZrI6-8357694f8740/FeI6Zr-2-1_0_0_1-Iz-0_0", "stoichiometry": "ABC6", "monolayer_uid": "FeZrI6-8357694f8740", "bilayer_uid": "FeZrI6-8357694f8740-2-1_0_0_1-Iz-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 74, "layer_group": "p-6", "space_group_number": 174, "space_group": "P-6", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.515306661707577, "distance": 4.161625213297567}


unique_id: 136a5abf93320b99b71b67ad36ff5bcc
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 2 2 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 1.609, "gap_pbe_dir": 1.609, "gap_pbe_nosoc": 1.969, "gap_pbe_dir_nosoc": 1.983, "dipz": -0.0}


unique_id: a9929613858d1f63769a556de9e8d2d1
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2--1_0_0_-1-Iz--0.46_0.09", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2--1_0_0_-1-Iz--0.46_0.09", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2--1_0_0_-1-Iz--0.46_0.09", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 1.615, "gap_pbe_dir": 1.615, "gap_pbe_nosoc": 1.975, "gap_pbe_dir_nosoc": 1.99, "dipz": -0.0, "interlayer_magnetic_exchange": 0.0003375527215183638, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 26.598933155231908, "binding_energy_gs": 11.878488576005845, "distance": 3.498755210137631}


unique_id: e94761a69b0bc37bd32ec0016e119c96
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2-1_0_0_1-0.67_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2-1_0_0_1-0.67_0.33", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2-1_0_0_1-0.67_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  2  2  5  5  5  8  9 10 10 10 13 13 13]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 1.609, "gap_pbe_dir": 1.609, "gap_pbe_nosoc": 1.966, "gap_pbe_dir_nosoc": 1.983, "dipz": -0.002, "interlayer_magnetic_exchange": 0.000276821539557659, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 26.492022551494816, "binding_energy_gs": 11.77165881972926, "distance": 3.508874999999998}


unique_id: 80975b227b4462a362c206bc8e26da1b
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2--1_0_0_-1-Iz-0.88_0.75", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2--1_0_0_-1-Iz-0.88_0.75", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2--1_0_0_-1-Iz-0.88_0.75", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 1.614, "gap_pbe_dir": 1.614, "gap_pbe_nosoc": 1.963, "gap_pbe_dir_nosoc": 1.981, "dipz": -0.0, "interlayer_magnetic_exchange": 0.00037517718081403473, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 26.326936348705043, "binding_energy_gs": 11.606554600396585, "distance": 3.528380210137632}


unique_id: 92ce9cf7a8a0a40e1ca9f77ad5ea7d5f
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2-1_0_0_1-Iz-0.32_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2-1_0_0_1-Iz-0.32_0", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2-1_0_0_1-Iz-0.32_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 1.603, "gap_pbe_dir": 1.603, "gap_pbe_nosoc": 1.967, "gap_pbe_dir_nosoc": 1.975, "dipz": 0.003, "interlayer_magnetic_exchange": 0.00023484458539257957, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 26.143667077567816, "binding_energy_gs": 11.448124052274409, "distance": 3.5505989601376324}


unique_id: 3e3a49fa9f27227a6e204f0676429941
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2--1_0_0_-1-0.54_0.42", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2--1_0_0_-1-0.54_0.42", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2--1_0_0_-1-0.54_0.42", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 1.603, "gap_pbe_dir": 1.603, "gap_pbe_nosoc": 1.968, "gap_pbe_dir_nosoc": 1.978, "dipz": 0.003, "interlayer_magnetic_exchange": 0.000257466893003766, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 26.143445374161082, "binding_energy_gs": 11.44773141788539, "distance": 3.550843750000002}


unique_id: c50d7bce04509cdb64c625d9804724ee
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2-1_0_0_1-Iz-0.67_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2-1_0_0_1-Iz-0.67_0", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2-1_0_0_1-Iz-0.67_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 1.602, "gap_pbe_dir": 1.602, "gap_pbe_nosoc": 1.967, "gap_pbe_dir_nosoc": 1.976, "dipz": -0.003, "interlayer_magnetic_exchange": 0.00023425018122225083, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 26.14263240956431, "binding_energy_gs": 11.447296921102577, "distance": 3.5505989601376324}


unique_id: 8b59e623b7e09a2d5ce51d2dc89dc391
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2-1_0_0_1-Iz-0.99_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2-1_0_0_1-Iz-0.99_0.67", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2-1_0_0_1-Iz-0.99_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 1.602, "gap_pbe_dir": 1.602, "gap_pbe_nosoc": 1.967, "gap_pbe_dir_nosoc": 1.975, "dipz": -0.003, "interlayer_magnetic_exchange": 0.00021087303029787563, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 26.14159896527661, "binding_energy_gs": 11.446021911557128, "distance": 3.5518333351376334}


unique_id: 4a2d53ee7ae6d6f3ee7b6cb42bb4355b
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2--1_0_0_-1-0.21_0.75", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2--1_0_0_-1-0.21_0.75", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2--1_0_0_-1-0.21_0.75", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 1.603, "gap_pbe_dir": 1.603, "gap_pbe_nosoc": 1.968, "gap_pbe_dir_nosoc": 1.978, "dipz": 0.003, "interlayer_magnetic_exchange": 0.000259382930096308, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 26.140729239588776, "binding_energy_gs": 11.445139890036026, "distance": 3.550843750000002}


unique_id: d5babf1c1864888cce0068ab412017a8
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2-1_0_0_1-Iz-0.69_0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2-1_0_0_1-Iz-0.69_0.02", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2-1_0_0_1-Iz-0.69_0.02", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 26.12971245044594, "binding_energy_gs": 11.40928337084193, "distance": 3.5580052101376314}


unique_id: 3842bb2ca86a86b6852bf2f33768ee20
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2--1_0_0_-1-0.18_0.73", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2--1_0_0_-1-0.18_0.73", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2--1_0_0_-1-0.18_0.73", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 26.124440605682274, "binding_energy_gs": 11.404027473629464, "distance": 3.5582499999999992}


unique_id: a35d3204e5eda710946c2f1e7645ffd4
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2-1_0_0_1-0.33_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2-1_0_0_1-0.33_0", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2-1_0_0_1-0.33_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 1.61, "gap_pbe_dir": 1.61, "gap_pbe_nosoc": 1.972, "gap_pbe_dir_nosoc": 1.984, "dipz": -0.001, "interlayer_magnetic_exchange": 0.0002643956811567705, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 26.03342875506889, "binding_energy_gs": 11.337891434661833, "distance": 3.5681249999999984}


unique_id: b5a96cdabb9babe4cd0eacc88cc5067d
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2-1_0_0_1-0.67_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2-1_0_0_1-0.67_0.67", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2-1_0_0_1-0.67_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 6 5 7 3 2 4]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 1.61, "gap_pbe_dir": 1.61, "gap_pbe_nosoc": 1.972, "gap_pbe_dir_nosoc": 1.984, "dipz": -0.001, "interlayer_magnetic_exchange": 0.00027333902895065876, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 26.03213283162663, "binding_energy_gs": 11.336594544730982, "distance": 3.5631874999999997}


unique_id: ec424ff6432e3e60d13ab0b9da15401b
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2--1_0_0_-1-Iz-0.21_0.74", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2--1_0_0_-1-Iz-0.21_0.74", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2--1_0_0_-1-Iz-0.21_0.74", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 1.613, "gap_pbe_dir": 1.613, "gap_pbe_nosoc": 1.972, "gap_pbe_dir_nosoc": 1.985, "dipz": -0.0, "interlayer_magnetic_exchange": 0.0002718666992507224, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 26.03113914270095, "binding_energy_gs": 11.335571851131228, "distance": 3.564177085137633}


unique_id: 3792ba7446217871bb4c416f3f8c1916
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2-1_0_0_1-0.68_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2-1_0_0_1-0.68_0.68", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2-1_0_0_1-0.68_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 6 5 7 3 2 4]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 26.026293366238495, "binding_energy_gs": 11.330778538672563, "distance": 3.5656562500000017}


unique_id: 62f212b40ac7ca2b7be153e7deb8d3ab
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2-1_0_0_1-0.69_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2-1_0_0_1-0.69_0.67", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2-1_0_0_1-0.69_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 25.999421044895527, "binding_energy_gs": 11.279009136705266, "distance": 3.5681249999999984}


unique_id: 61f1211167bcec5d08d82c90997e4318
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2--1_0_0_-1-Iz-0.18_0.73", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2--1_0_0_-1-Iz-0.18_0.73", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2--1_0_0_-1-Iz-0.18_0.73", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 25.997333171501047, "binding_energy_gs": 11.277009675877427, "distance": 3.5678802101376323}


unique_id: cbdcfbffc9fa2bc5eea2c8c3e5887adb
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2--1_0_0_-1-Iz-0.21_0.42", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2--1_0_0_-1-Iz-0.21_0.42", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2--1_0_0_-1-Iz-0.21_0.42", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 1.614, "gap_pbe_dir": 1.614, "gap_pbe_nosoc": 1.982, "gap_pbe_dir_nosoc": 1.989, "dipz": -0.0, "interlayer_magnetic_exchange": 0.0002442910178075408, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.89384258901143, "binding_energy_gs": 11.173419105665198, "distance": 3.5876302101376307}


unique_id: f969b42844dbc95a6939e9554bd0b54b
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2-1_0_0_1-0_0", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 1.603, "gap_pbe_dir": 1.603, "gap_pbe_nosoc": 1.97, "gap_pbe_dir_nosoc": 1.978, "dipz": -0.001, "interlayer_magnetic_exchange": 0.0003860730898992415, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.849732128538534, "binding_energy_gs": 11.129309017285076, "distance": 3.5977500000000013}


unique_id: d49a2766b0f92550dcac173769762685
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2-1_0_0_1-0.67_0.52", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2-1_0_0_1-0.67_0.52", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2-1_0_0_1-0.67_0.52", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 25.370257473795533, "binding_energy_gs": 10.674281436717916, "distance": 3.6718125000000015}


unique_id: 8d1b0cdfc01b3cb294c47e276722c00d
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 5, "layer_group": "p11a", "space_group_number": 7, "space_group": "Pc", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 25.16833409487905, "binding_energy_gs": 10.447684331409313, "distance": 3.6962552101376307}


unique_id: bd2761c1536949958b05a9195ea332a3
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2--1_0_0_-1-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2--1_0_0_-1-Iz-0.29_0.58", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2--1_0_0_-1-Iz-0.29_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 24.713639243445467, "binding_energy_gs": 9.993237075813312, "distance": 3.7752552101376313}


unique_id: 5d04c82494509a9fc1fd4606a0e80521
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2-1_0_0_1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2-1_0_0_1-Iz-0.79_0.58", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2-1_0_0_1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 24.570230098747427, "binding_energy_gs": 9.849795944290053, "distance": 3.7950052101376315}


unique_id: db57c287dbb17b8667aeae9b285f3717
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2--1_0_0_-1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2--1_0_0_-1-Iz-0.79_0.58", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2--1_0_0_-1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 24.539748983293528, "binding_energy_gs": 9.819105511530525, "distance": 3.7950052101376315}


unique_id: 774de12b2fa313564e44a59bac801f72
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2-1_0_0_1-0.79_0.58", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 24.154773927794544, "binding_energy_gs": 9.434335674692315, "distance": 3.874249999999998}


unique_id: 7ca4681d658460c72397179218df8571
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2-1_0_0_1-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 23.697882770657387, "binding_energy_gs": 8.97762163685129, "distance": 3.953249999999997}


unique_id: 2334ec41f6aceb6541314bd5d56bf7da
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2--1_0_0_-1-0.79_0.58", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2--1_0_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 23.60200288409846, "binding_energy_gs": 8.881474333133092, "distance": 3.972999999999999}


unique_id: 271a8fa4f67500abdbcb3dd8011b04bc
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2--1_0_0_-1-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2--1_0_0_-1-0.29_0.58", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2--1_0_0_-1-0.29_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 23.44683395825794, "binding_energy_gs": 8.72655256516622, "distance": 4.0124999999999975}


unique_id: 3432f8787403e88b1e521bdd4f913055
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2--1_0_0_-1--0.46_0.09", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2--1_0_0_-1--0.46_0.09", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2--1_0_0_-1--0.46_0.09", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.78631599399742, "binding_energy_gs": 8.06588809255564, "distance": 4.150749999999997}


unique_id: 84f39962c6de9ff5c477f30d41581308
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2-1_0_0_1-Iz-0.67_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2-1_0_0_1-Iz-0.67_0.33", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2-1_0_0_1-Iz-0.67_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  2  2  5  5  5  8  9 10 10 10 13 13 13]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.776569630595674, "binding_energy_gs": 8.056049490175553, "distance": 4.150505210137629}


unique_id: 8861f75c2ea30d0c2dffe287f9e93a0d
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2--1_0_0_-1-Iz-0.18_0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2--1_0_0_-1-Iz-0.18_0.08", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2--1_0_0_-1-Iz-0.18_0.08", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.766626056365084, "binding_energy_gs": 8.045994111062338, "distance": 4.170255210137629}


unique_id: ea0580fa18343376b9e2675808ce3b2a
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2-1_0_0_1-0.69_0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2-1_0_0_1-0.69_0.02", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2-1_0_0_1-0.69_0.02", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.765239749562564, "binding_energy_gs": 8.044399346341198, "distance": 4.160625}


unique_id: ec5e4dac81599d26b207aa9b0afb9768
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2--1_0_0_-1-0.88_0.75", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2--1_0_0_-1-0.88_0.75", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2--1_0_0_-1-0.88_0.75", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.730573638420786, "binding_energy_gs": 8.010479289029519, "distance": 4.170499999999999}


unique_id: 8140e744060754372f1c993abd7d23c6
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2--1_0_0_-1-0.21_0.42", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2--1_0_0_-1-0.21_0.42", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2--1_0_0_-1-0.21_0.42", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.683590324325145, "binding_energy_gs": 7.963176188514949, "distance": 4.180374999999996}


unique_id: 47c6c7c1c4434070ea84214a934f73a0
username: jensj
key_value_pairs:
  {"uid": "HfMnI6-502a8c200800-2-1_0_0_1-Iz-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfMnI6/HfMnI6-502a8c200800/HfI6Mn-2-1_0_0_1-Iz-0_0", "stoichiometry": "ABC6", "monolayer_uid": "HfMnI6-502a8c200800", "bilayer_uid": "HfMnI6-502a8c200800-2-1_0_0_1-Iz-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 74, "layer_group": "p-6", "space_group_number": 174, "space_group": "P-6", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.639859014847413, "binding_energy_gs": 7.9195280493536115, "distance": 4.190005210137631}


unique_id: 6e3e6cfb0f55a172a13f41ee16f8e739
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 2 2 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 2.543, "gap_pbe_dir": 2.572, "gap_pbe_nosoc": 2.638, "gap_pbe_dir_nosoc": 2.638, "dipz": -0.0}


unique_id: 55c2b4f7defa5902200101eb05870eb4
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-Iz-0.94_0.87", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2--1_0_0_-1-Iz-0.94_0.87", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-Iz-0.94_0.87", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 2.522, "gap_pbe_dir": 2.556, "gap_pbe_nosoc": 2.624, "gap_pbe_dir_nosoc": 2.624, "dipz": 0.0, "interlayer_magnetic_exchange": 0.00026602940998543545, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 56.3799963464771, "binding_energy_gs": 11.623889247603332, "distance": 3.2717028443097664}


unique_id: 1aed06a0f4e12555ce18895df5f8a7a2
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0.67_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2-1_0_0_1-0.67_0.33", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0.67_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  2  2  5  5  5  8  9 10 10 10 13 13 13]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 2.529, "gap_pbe_dir": 2.553, "gap_pbe_nosoc": 2.622, "gap_pbe_dir_nosoc": 2.622, "dipz": 0.0, "interlayer_magnetic_exchange": 0.00028302182700201683, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 56.26616389545861, "binding_energy_gs": 11.509637265132532, "distance": 3.2817500000000024}


unique_id: 213ccae979abbaa98179272eeaa6b5e5
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-Iz--0.4_0.21", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2--1_0_0_-1-Iz--0.4_0.21", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-Iz--0.4_0.21", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 2.541, "gap_pbe_dir": 2.57, "gap_pbe_nosoc": 2.637, "gap_pbe_dir_nosoc": 2.637, "dipz": 0.0, "interlayer_magnetic_exchange": 0.001019405275243912, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 56.09506714555987, "binding_energy_gs": 11.338858508545929, "distance": 3.301327844309764}


unique_id: 4c3b52a682a4baea4ecd7007e438cd64
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-0.25_0.84", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2--1_0_0_-1-0.25_0.84", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-0.25_0.84", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 55.98855571189904, "binding_energy_gs": 11.232334341294827, "distance": 3.3212500000000027}


unique_id: e2b3f794394140f9a2c486227fc13abd
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-0.28_0.87", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2--1_0_0_-1-0.28_0.87", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-0.28_0.87", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 55.9866127684772, "binding_energy_gs": 11.278185080376804, "distance": 3.322484375000002}


unique_id: 157a8ebf15321d37059d333c67b5ecc7
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-Iz-0.32_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2-1_0_0_1-Iz-0.32_0", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-Iz-0.32_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 2.517, "gap_pbe_dir": 2.554, "gap_pbe_nosoc": 2.629, "gap_pbe_dir_nosoc": 2.629, "dipz": -0.0, "interlayer_magnetic_exchange": 0.00044170895247930275, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 55.96935183043652, "binding_energy_gs": 11.260891773326042, "distance": 3.3235465943097644}


unique_id: 300e39d25e4afbcc8d7e3dae9548facc
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-Iz-0.67_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2-1_0_0_1-Iz-0.67_0", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-Iz-0.67_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 2.517, "gap_pbe_dir": 2.554, "gap_pbe_nosoc": 2.628, "gap_pbe_dir_nosoc": 2.628, "dipz": 0.0, "interlayer_magnetic_exchange": 0.00042245870906754135, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 55.96793987938835, "binding_energy_gs": 11.25949800707848, "distance": 3.3235465943097644}


unique_id: 5e4e0a0fe85b97abf4b7254b41ef77c5
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-Iz-0.27_0.86", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2--1_0_0_-1-Iz-0.27_0.86", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-Iz-0.27_0.86", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 2.529, "gap_pbe_dir": 2.569, "gap_pbe_nosoc": 2.633, "gap_pbe_dir_nosoc": 2.633, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0007657052808127673, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 55.9674562600168, "binding_energy_gs": 11.259004573134433, "distance": 3.323546594309768}


unique_id: 5feecd651d991259ef222527421876f2
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-0.59_0.53", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2--1_0_0_-1-0.59_0.53", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-0.59_0.53", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 2.517, "gap_pbe_dir": 2.559, "gap_pbe_nosoc": 2.627, "gap_pbe_dir_nosoc": 2.627, "dipz": -0.0, "interlayer_magnetic_exchange": 0.0005083473420341988, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 55.9672991985391, "binding_energy_gs": 11.258850635981686, "distance": 3.323718750000003}


unique_id: f71e4e09df0bffba4c7a9588e25e9014
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-Iz-0.69_0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2-1_0_0_1-Iz-0.69_0.03", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-Iz-0.69_0.03", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 55.96242642091556, "binding_energy_gs": 11.20618137752958, "distance": 3.330952844309765}


unique_id: a125fc5224d1300bd2b982af2990f66a
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0.68_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2-1_0_0_1-0.68_0.68", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0.68_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 6 5 7 3 2 4]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 55.96187284088864, "binding_energy_gs": 11.253426289810966, "distance": 3.326187500000003}


unique_id: faf5be17832471e0924c5b3c47847b3e
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-Iz-0.25_0.84", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2--1_0_0_-1-Iz-0.25_0.84", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-Iz-0.25_0.84", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 55.95698356589197, "binding_energy_gs": 11.200744671978217, "distance": 3.330952844309765}


unique_id: de217179dc0d1b6c890c448f916f59ba
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0.69_0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2-1_0_0_1-0.69_0.66", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0.69_0.66", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 55.955181701241244, "binding_energy_gs": 11.198956891585704, "distance": 3.331125}


unique_id: 69b7732efb3ae4487c1472ba149f9dde
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0.68_0.69", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2-1_0_0_1-0.68_0.69", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0.68_0.69", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 55.95417704594698, "binding_energy_gs": 11.245764549883848, "distance": 3.326187500000003}


unique_id: 3a7b7e9e03a30443a7d787122c87e2f9
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-Iz-0.59_0.53", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2--1_0_0_-1-Iz-0.59_0.53", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-Iz-0.59_0.53", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 2.529, "gap_pbe_dir": 2.566, "gap_pbe_nosoc": 2.631, "gap_pbe_dir_nosoc": 2.632, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0007783761138711043, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 55.943669771479, "binding_energy_gs": 11.235203864183394, "distance": 3.3272497193097657}


unique_id: 52442f183423f9dc315b8c8d9aef3fb7
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0.32_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2-1_0_0_1-0.32_0", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0.32_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 2.526, "gap_pbe_dir": 2.555, "gap_pbe_nosoc": 2.632, "gap_pbe_dir_nosoc": 2.632, "dipz": 0.0, "interlayer_magnetic_exchange": 0.000703691357600178, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 55.943434152603594, "binding_energy_gs": 11.235014271714778, "distance": 3.326187500000003}


unique_id: 54a41d0e37952e66e86c15ceef6925a2
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-Iz-0.27_0.54", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2--1_0_0_-1-Iz-0.27_0.54", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-Iz-0.27_0.54", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 2.516, "gap_pbe_dir": 2.564, "gap_pbe_nosoc": 2.62, "gap_pbe_dir_nosoc": 2.631, "dipz": 0.0, "interlayer_magnetic_exchange": -0.0001461703799350289, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 55.64908584440392, "binding_energy_gs": 10.89260587116989, "distance": 3.3803278443097664}


unique_id: 5a02912cfec2f4f9d4befca1ab66d0be
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2-1_0_0_1-0_0", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 2.514, "gap_pbe_dir": 2.563, "gap_pbe_nosoc": 2.636, "gap_pbe_dir_nosoc": 2.637, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0009405712389423115, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 55.60505528183021, "binding_energy_gs": 10.848809736020083, "distance": 3.380500000000003}


unique_id: d1d474539d71b6759b80e35e921e3bc5
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-0.41_-0.13", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2--1_0_0_-1-0.41_-0.13", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-0.41_-0.13", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 55.587916002559055, "binding_energy_gs": 10.878964356424934, "distance": 3.397781250000005}


unique_id: 7a816042289fc867d2dab92ac4b03d17
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-Iz-0.81_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2-1_0_0_1-Iz-0.81_0.67", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-Iz-0.81_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 55.542110271593096, "binding_energy_gs": 10.833235744205867, "distance": 3.4050153443097653}


unique_id: 3a5cc0093f4921a2c02b666b6d6535d0
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0.67_0.52", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2-1_0_0_1-0.67_0.52", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0.67_0.52", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 55.451528030746374, "binding_energy_gs": 10.74273502441588, "distance": 3.413828125000002}


unique_id: e85cbf2451b3a3c9a23b0265564e4762
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 5, "layer_group": "p11a", "space_group_number": 7, "space_group": "Pc", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 55.23294863125954, "binding_energy_gs": 10.476740975385667, "distance": 3.439577844309765}


unique_id: cc9b389ffb1ca57c7414b062639cf61e
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2--1_0_0_-1-0.79_0.58", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 55.13476850161081, "binding_energy_gs": 10.379207903491979, "distance": 3.4595000000000002}


unique_id: bfcb544905f9122f1e3e32517ac05a42
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2-1_0_0_1-Iz-0.79_0.58", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 54.873832594719616, "binding_energy_gs": 10.117627306589076, "distance": 3.5185778443097657}


unique_id: a1ed03492316a71232ff6d267bf63a4e
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 54.72428974463701, "binding_energy_gs": 9.968069508655072, "distance": 3.5383278443097623}


unique_id: 3f22ddcd893e226348872345b11acc90
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2-1_0_0_1-0.79_0.58", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 54.545046227835456, "binding_energy_gs": 9.788715275585673, "distance": 3.5779999999999994}


unique_id: 40ac554951f220a2f5e98af407e9247d
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2--1_0_0_-1-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 54.437821145068014, "binding_energy_gs": 9.68159638690526, "distance": 3.5977500000000013}


unique_id: d52603603312d23bc41f82fab61793d1
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2--1_0_0_-1-Iz-0.79_0.58", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 54.15400839834803, "binding_energy_gs": 9.397785910764492, "distance": 3.637077844309765}


unique_id: c5f9950790e86fc930b061f0c9249ffe
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2-1_0_0_1-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 7 6 5 4 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 54.09084022595474, "binding_energy_gs": 9.334685169371387, "distance": 3.657}


unique_id: 3ceacb1663bae5369ee3f15cb20d1695
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-0.94_0.87", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2--1_0_0_-1-0.94_0.87", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-0.94_0.87", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 53.39236445651998, "binding_energy_gs": 8.636146337295036, "distance": 3.795250000000001}


unique_id: 179f65c6502ffb5d5092d3af38e96949
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-Iz-0.67_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2-1_0_0_1-Iz-0.67_0.33", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-Iz-0.67_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  2  2  5  5  5  8  9 10 10 10 13 13 13]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 53.35019864711376, "binding_energy_gs": 8.593983969150916, "distance": 3.7950778443097626}


unique_id: fcb07ae6072941451cffc337b0972896
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-Iz-0.25_0.21", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2--1_0_0_-1-Iz-0.25_0.21", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-Iz-0.25_0.21", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 53.32579969203263, "binding_energy_gs": 8.569563461863737, "distance": 3.7950778443097626}


unique_id: ad29843e375959a658bd654d4b6647c4
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0.69_0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2-1_0_0_1-0.69_0.03", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-0.69_0.03", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 53.324456544887816, "binding_energy_gs": 8.568162419050976, "distance": 3.795250000000001}


unique_id: 961d7d7a9ce6cc1271fd1307756dbca2
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1--0.4_0.21", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2--1_0_0_-1--0.4_0.21", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1--0.4_0.21", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 53.26806917270649, "binding_energy_gs": 8.511666439512231, "distance": 3.8149999999999977}


unique_id: f922080036501236b0ade2b57ebde76e
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-0.27_0.54", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2--1_0_0_-1-0.27_0.54", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2--1_0_0_-1-0.27_0.54", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 53.211934492995596, "binding_energy_gs": 8.455729926909003, "distance": 3.8248749999999987}


unique_id: fa14a11d61fd42560cbcbc685e460070
username: jensj
key_value_pairs:
  {"uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-Iz-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiBr6/HfNiBr6-f5da1fb79dd2/Br6HfNi-2-1_0_0_1-Iz-0_0", "stoichiometry": "ABC6", "monolayer_uid": "HfNiBr6-f5da1fb79dd2", "bilayer_uid": "HfNiBr6-f5da1fb79dd2-2-1_0_0_1-Iz-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 74, "layer_group": "p-6", "space_group_number": 174, "space_group": "P-6", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 53.1686038637748, "binding_energy_gs": 8.412397506238724, "distance": 3.8345778443097647}


unique_id: a1de37543f1d2527cd423262c93eba6a
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiCl6-1cbc55708ee3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiCl6/HfNiCl6-1cbc55708ee3", "stoichiometry": "ABC6", "monolayer_uid": "HfNiCl6-1cbc55708ee3", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 2 2 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 3.245, "gap_pbe_dir": 3.26, "gap_pbe_nosoc": 3.264, "gap_pbe_dir_nosoc": 3.27, "dipz": -0.0}


unique_id: 8130da314e1248669457cac665f1274e
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiCl6-1cbc55708ee3-2--1_0_0_-1-Iz-1.0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiCl6/HfNiCl6-1cbc55708ee3/Cl6HfNi-2--1_0_0_-1-Iz-1.0_-1.0", "stoichiometry": "ABC6", "monolayer_uid": "HfNiCl6-1cbc55708ee3", "bilayer_uid": "HfNiCl6-1cbc55708ee3-2--1_0_0_-1-Iz-1.0_-1.0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 3.238, "gap_pbe_dir": 3.249, "gap_pbe_nosoc": 3.256, "gap_pbe_dir_nosoc": 3.259, "dipz": 0.0, "interlayer_magnetic_exchange": 0.00015902810024215341, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 52.966973339966884, "binding_energy_gs": 10.247594004455554, "distance": 3.163100359993056}


unique_id: b7f4e73122b6cccf93dc3f5f235843b4
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiCl6-1cbc55708ee3-2-1_0_0_1-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiCl6/HfNiCl6-1cbc55708ee3/Cl6HfNi-2-1_0_0_1-0.33_-0.33", "stoichiometry": "ABC6", "monolayer_uid": "HfNiCl6-1cbc55708ee3", "bilayer_uid": "HfNiCl6-1cbc55708ee3-2-1_0_0_1-0.33_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  2  2  5  5  5  8  9 10 10 10 13 13 13]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 3.233, "gap_pbe_dir": 3.246, "gap_pbe_nosoc": 3.251, "gap_pbe_dir_nosoc": 3.256, "dipz": 0.001, "interlayer_magnetic_exchange": 8.976579294994735e-05, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 52.93444293335741, "binding_energy_gs": 10.21462573929616, "distance": 3.163250000000005}


unique_id: 228d727626f003a43bdbb22fd5efa84d
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiCl6-1cbc55708ee3-2--1_0_0_-1-Iz-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiCl6/HfNiCl6-1cbc55708ee3/Cl6HfNi-2--1_0_0_-1-Iz-0.33_-0.33", "stoichiometry": "ABC6", "monolayer_uid": "HfNiCl6-1cbc55708ee3", "bilayer_uid": "HfNiCl6-1cbc55708ee3-2--1_0_0_-1-Iz-0.33_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 3.244, "gap_pbe_dir": 3.259, "gap_pbe_nosoc": 3.262, "gap_pbe_dir_nosoc": 3.269, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0005044843582453495, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 52.83725377558905, "binding_energy_gs": 10.117218734933699, "distance": 3.182850359993054}


unique_id: bafcd041a09c3d8bfe5337185d14bd3b
username: jensj
key_value_pairs:
  {"uid": "HfNiCl6-1cbc55708ee3-2-1_0_0_1-Iz-0.66_-0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiCl6/HfNiCl6-1cbc55708ee3/Cl6HfNi-2-1_0_0_1-Iz-0.66_-0.31", "stoichiometry": "ABC6", "monolayer_uid": "HfNiCl6-1cbc55708ee3", "bilayer_uid": "HfNiCl6-1cbc55708ee3-2-1_0_0_1-Iz-0.66_-0.31", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 52.741650067231895, "binding_energy_gs": 10.021843055610542, "distance": 3.202600359993056}


unique_id: d045470ccd38db6e43727afa8ff7b61d
username: jensj
key_value_pairs:
  {"uid": "HfNiCl6-1cbc55708ee3-2--1_0_0_-1-0.33_-0.69", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiCl6/HfNiCl6-1cbc55708ee3/Cl6HfNi-2--1_0_0_-1-0.33_-0.69", "stoichiometry": "ABC6", "monolayer_uid": "HfNiCl6-1cbc55708ee3", "bilayer_uid": "HfNiCl6-1cbc55708ee3-2--1_0_0_-1-0.33_-0.69", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 52.73884047560873, "binding_energy_gs": 10.018902752521045, "distance": 3.2027500000000053}


unique_id: 2cbd6d113f9735ee6c3b3781a1a409d8
username: jensj
key_value_pairs:
  {"uid": "HfNiCl6-1cbc55708ee3-2-1_0_0_1--0.3_0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiCl6/HfNiCl6-1cbc55708ee3/Cl6HfNi-2-1_0_0_1--0.3_0.03", "stoichiometry": "ABC6", "monolayer_uid": "HfNiCl6-1cbc55708ee3", "bilayer_uid": "HfNiCl6-1cbc55708ee3-2-1_0_0_1--0.3_0.03", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 52.73077439785463, "binding_energy_gs": 10.010845818824425, "distance": 3.2027500000000053}


unique_id: b4c9129694517919b161235bcb5f17e6
username: jensj
key_value_pairs:
  {"uid": "HfNiCl6-1cbc55708ee3-2--1_0_0_-1-Iz-0.33_-0.69", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiCl6/HfNiCl6-1cbc55708ee3/Cl6HfNi-2--1_0_0_-1-Iz-0.33_-0.69", "stoichiometry": "ABC6", "monolayer_uid": "HfNiCl6-1cbc55708ee3", "bilayer_uid": "HfNiCl6-1cbc55708ee3-2--1_0_0_-1-Iz-0.33_-0.69", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 52.71700811254165, "binding_energy_gs": 9.997193706301543, "distance": 3.202600359993056}


unique_id: da7731cdfd72b838764af29a5078f896
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiCl6-1cbc55708ee3-2--1_0_0_-1-Iz-0.66_-0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiCl6/HfNiCl6-1cbc55708ee3/Cl6HfNi-2--1_0_0_-1-Iz-0.66_-0.66", "stoichiometry": "ABC6", "monolayer_uid": "HfNiCl6-1cbc55708ee3", "bilayer_uid": "HfNiCl6-1cbc55708ee3-2--1_0_0_-1-Iz-0.66_-0.66", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 2 2 2 5 5 5]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 3.237, "gap_pbe_dir": 3.257, "gap_pbe_nosoc": 3.249, "gap_pbe_dir_nosoc": 3.265, "dipz": -0.0, "interlayer_magnetic_exchange": -1.0401822322592125e-05, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 52.48605479545172, "binding_energy_gs": 9.766392006871913, "distance": 3.2519753599930574}


unique_id: 919107ce47a24da98e5ec4ca86189805
username: jensj
key_value_pairs:
  {"uid": "HfNiCl6-1cbc55708ee3-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiCl6/HfNiCl6-1cbc55708ee3/Cl6HfNi-2--1_0_0_-1-0.5_0", "stoichiometry": "ABC6", "monolayer_uid": "HfNiCl6-1cbc55708ee3", "bilayer_uid": "HfNiCl6-1cbc55708ee3-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 5 7 6 2 4 3]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 52.48010473490194, "binding_energy_gs": 9.7604110830607, "distance": 3.262000000000006}


unique_id: fcb89f87a9dacc3d80d07ce61dfca1df
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiCl6-1cbc55708ee3-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiCl6/HfNiCl6-1cbc55708ee3/Cl6HfNi-2-1_0_0_1-0_0", "stoichiometry": "ABC6", "monolayer_uid": "HfNiCl6-1cbc55708ee3", "bilayer_uid": "HfNiCl6-1cbc55708ee3-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 3.239, "gap_pbe_dir": 3.259, "gap_pbe_nosoc": 3.26, "gap_pbe_dir_nosoc": 3.27, "dipz": -0.0, "interlayer_magnetic_exchange": 0.00042351004847773766, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 52.4339597860426, "binding_energy_gs": 9.713817972644216, "distance": 3.262000000000006}


unique_id: e3340e84bf08c6a7e2093d062380ea8e
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiCl6-1cbc55708ee3-2--1_0_0_-1-0.98_0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiCl6/HfNiCl6-1cbc55708ee3/Cl6HfNi-2--1_0_0_-1-0.98_0.66", "stoichiometry": "ABC6", "monolayer_uid": "HfNiCl6-1cbc55708ee3", "bilayer_uid": "HfNiCl6-1cbc55708ee3-2--1_0_0_-1-0.98_0.66", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 3.235, "gap_pbe_dir": 3.245, "gap_pbe_nosoc": 3.251, "gap_pbe_dir_nosoc": 3.256, "dipz": -0.001, "interlayer_magnetic_exchange": 0.00021667479673226353, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 52.28009440951095, "binding_energy_gs": 10.058822087844847, "distance": 3.195343750000008}


unique_id: d8e0c6b46a85da5cd28ce357874da09b
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiCl6-1cbc55708ee3-2-1_0_0_1-Iz-0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiCl6/HfNiCl6-1cbc55708ee3/Cl6HfNi-2-1_0_0_1-Iz-0.67_-0.33", "stoichiometry": "ABC6", "monolayer_uid": "HfNiCl6-1cbc55708ee3", "bilayer_uid": "HfNiCl6-1cbc55708ee3-2-1_0_0_1-Iz-0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 3.234, "gap_pbe_dir": 3.248, "gap_pbe_nosoc": 3.251, "gap_pbe_dir_nosoc": 3.258, "dipz": 0.001, "interlayer_magnetic_exchange": 0.00020538616531950993, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 52.277680866689714, "binding_energy_gs": 10.056197568063286, "distance": 3.195194109993057}


unique_id: 4b75aa23a40ba2aa0d5c9b7cd1352a5a
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "HfNiCl6-1cbc55708ee3-2--1_0_0_-1-Iz-0.98_0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC6/HfNiCl6/HfNiCl6-1cbc55708ee3/Cl6HfNi-2--1_0_0_-1-Iz-0.98_0.66", "stoichiometry": "ABC6", "monolayer_uid": "HfNiCl6-1cbc55708ee3", "bilayer_uid": "HfNiCl6-1cbc55708ee3-2--1_0_0_-1-Iz-0.98_0.66", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 3.244, "gap_pbe_dir": 3.254, "gap_pbe_nosoc": 3.259, "gap_pbe_dir_nosoc": 3.264, "dipz": 0.0, "interlayer_magnetic_exchange": 0.00031554430547942047, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 52.27478447724213, "binding_energy_gs": 10.053657969273397, "distance": 3.1939597349930597}


