# systems

unique_id: a1473984020e9750ab104f6087e611c8
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2S4-1d7274dec874-2-1_0_0_1-0.5_0.25", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuS2/Br2Cu2S4-1d7274dec874/Br2Cu2S4-2-1_0_0_1-0.5_0.25", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2S4-1d7274dec874", "bilayer_uid": "Br2Cu2S4-1d7274dec874-2-1_0_0_1-0.5_0.25", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 8, "layer_group": "p211", "space_group_number": 3, "space_group": "P2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 40.26328350637136, "binding_energy_gs": 8.621031039371145, "distance": 2.881414932943983}


unique_id: 703f00506afffffea0b9722af0a5ce54
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2S4-1d7274dec874-2--1_0_0_-1-Iz--0.81_-0.18", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuS2/Br2Cu2S4-1d7274dec874/Br2Cu2S4-2--1_0_0_-1-Iz--0.81_-0.18", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2S4-1d7274dec874", "bilayer_uid": "Br2Cu2S4-1d7274dec874-2--1_0_0_-1-Iz--0.81_-0.18", "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": 40.2543920569428, "binding_energy_gs": 8.612185563585518, "distance": 2.886338744137195}


unique_id: df0648dd5a5a54d90e5d57c1b97aae03
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2S4-1d7274dec874-2-1_0_0_1--0.75_-0.19", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuS2/Br2Cu2S4-1d7274dec874/Br2Cu2S4-2-1_0_0_1--0.75_-0.19", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2S4-1d7274dec874", "bilayer_uid": "Br2Cu2S4-1d7274dec874-2-1_0_0_1--0.75_-0.19", "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": 39.97167684868745, "binding_energy_gs": 8.329348294934496, "distance": 2.9324651755236477}


unique_id: f5f1328af99ae070ed8deb8d182e1f13
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2S4-1d7274dec874-2--1_0_0_-1-Iz--0.18_-0.75", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuS2/Br2Cu2S4-1d7274dec874/Br2Cu2S4-2--1_0_0_-1-Iz--0.18_-0.75", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2S4-1d7274dec874", "bilayer_uid": "Br2Cu2S4-1d7274dec874-2--1_0_0_-1-Iz--0.18_-0.75", "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": 39.74101410437452, "binding_energy_gs": 8.098802333824379, "distance": 2.975676668651605}


unique_id: f8df7141c78ced068334fd6221c5fb5a
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2S4-1d7274dec874-2--1_0_0_-1-Iz--0.31_0.06", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuS2/Br2Cu2S4-1d7274dec874/Br2Cu2S4-2--1_0_0_-1-Iz--0.31_0.06", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2S4-1d7274dec874", "bilayer_uid": "Br2Cu2S4-1d7274dec874-2--1_0_0_-1-Iz--0.31_0.06", "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": 39.5041682388922, "binding_energy_gs": 7.8618654699017885, "distance": 2.975676668651605}


unique_id: fc984860394ae431d77874859e431744
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2S4-1d7274dec874-2-1_0_0_1--0.37_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuS2/Br2Cu2S4-1d7274dec874/Br2Cu2S4-2-1_0_0_1--0.37_0", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2S4-1d7274dec874", "bilayer_uid": "Br2Cu2S4-1d7274dec874-2-1_0_0_1--0.37_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 8, "layer_group": "p211", "space_group_number": 3, "space_group": "P2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 1 0 4 5 2 3 6 7]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 37.12630732188425, "binding_energy_gs": 5.4840090317597925, "distance": 3.5514493668020606}


unique_id: 866bc43c29787965e58d281603c24e6a
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2S4-1d7274dec874-2-1_0_0_1--0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuS2/Br2Cu2S4-1d7274dec874/Br2Cu2S4-2-1_0_0_1--0.5_0", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2S4-1d7274dec874", "bilayer_uid": "Br2Cu2S4-1d7274dec874-2-1_0_0_1--0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 19, "layer_group": "p222", "space_group_number": 16, "space_group": "P222", "equivalent_atoms": "[0 1 2 3 3 2 6 6 1 0 3 2 2 3 6 6]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 36.88212846506548, "binding_energy_gs": 5.239802163160776, "distance": 3.628024730671555}


unique_id: d09cb7837946853d5d449ccc888e7b78
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2S4-1d7274dec874-2--1_0_0_-1-Iz--0.93_-0.94", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuS2/Br2Cu2S4-1d7274dec874/Br2Cu2S4-2--1_0_0_-1-Iz--0.93_-0.94", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2S4-1d7274dec874", "bilayer_uid": "Br2Cu2S4-1d7274dec874-2--1_0_0_-1-Iz--0.93_-0.94", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 6, "layer_group": "p112/m", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 2 3 3 2 6 6 0 1 2 3 3 2 6 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 36.804253745720196, "binding_energy_gs": 5.161963730966812, "distance": 3.639329822187225}


unique_id: 1d51c57b6362de1a399eda54b74def81
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 20, "layer_group": "p2_122", "space_group_number": 17, "space_group": "P222_1", "equivalent_atoms": "[0 0 2 2 2 2 6 6]", "has_inversion_symmetry": false, "magnetic": false, "ehull": 0.01197177271227412, "dynamically_stable": "Yes", "gap_pbe": 1.128, "gap_pbe_dir": 1.251, "gap_pbe_nosoc": 1.191, "gap_pbe_dir_nosoc": 1.383, "dipz": 0.0}


unique_id: f08c2d730a72508267f0de006b896bc1
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0.03_0.27", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2--1_0_0_-1-Iz-0.03_0.27", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0.03_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": false, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 39.93717780291048, "binding_energy_gs": 19.31185828889392, "distance": 2.420723603512428}


unique_id: 25a64a726ddde6524d00e053243efc1e
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0.11_0.27", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2--1_0_0_-1-Iz-0.11_0.27", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0.11_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": false, "gap_pbe": 0.857, "gap_pbe_dir": 1.038, "gap_pbe_nosoc": 0.918, "gap_pbe_dir_nosoc": 1.088, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 39.24178315573427, "binding_energy_gs": 20.299159336896963, "distance": 2.3512785887234955}


unique_id: 5876ab230ace90f5ed57ce7330dd50cd
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1-Iz-0.17_0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2-1_0_0_1-Iz-0.17_0.34", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1-Iz-0.17_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 5 4 3 2 7 6]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.857, "gap_pbe_dir": 1.038, "gap_pbe_nosoc": 0.919, "gap_pbe_dir_nosoc": 1.088, "dipz": 0.001, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 39.235169602560106, "binding_energy_gs": 20.29254494450065, "distance": 2.3512785887234955}


unique_id: a36700d618f5873c3a842dc144b67642
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0.45_0.93", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2--1_0_0_-1-Iz-0.45_0.93", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0.45_0.93", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 7, "layer_group": "p112/a", "space_group_number": 13, "space_group": "P2/c", "equivalent_atoms": "[0 1 2 3 3 2 6 6 0 1 2 3 3 2 6 6]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.98, "gap_pbe_dir": 1.05, "gap_pbe_nosoc": 1.041, "gap_pbe_dir_nosoc": 1.096, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 38.901565922085595, "binding_energy_gs": 18.277149266706825, "distance": 2.433349969837689}


unique_id: 48ce510c376bd0cf93734723b63e5e82
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1-Iz-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2-1_0_0_1-Iz-0_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1-Iz-0_0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 7, "layer_group": "p112/a", "space_group_number": 13, "space_group": "P2/c", "equivalent_atoms": "[0 1 2 3 3 2 6 6 0 1 2 3 3 2 6 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 37.330206499837, "binding_energy_gs": 16.70494620605311, "distance": 2.591179548903444}


unique_id: dc1fa10aa116c1637dc1b9e8298893f6
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2--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": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 36.84402014326187, "binding_energy_gs": 16.219221968610952, "distance": 2.647998197367116}


unique_id: feec2c4061e40d6ed8873e80e12f45a4
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2-1_0_0_1-0.5_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1-0.5_0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 20, "layer_group": "p2_122", "space_group_number": 17, "space_group": "P222_1", "equivalent_atoms": "[0 1 2 3 3 2 6 6 1 0 3 2 2 3 6 6]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 36.27227867768454, "binding_energy_gs": 15.646040491717743, "distance": 2.6830617793147216}


unique_id: 7e266074dca6eb8a07a78c8956558ad4
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2--1_0_0_-1-Iz-0_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0_0.5", "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": 35.90817238113133, "binding_energy_gs": 15.282813531182729, "distance": 2.7426959448065684}


unique_id: 4a18a5771f82e3dbbd60047d544827f7
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0.2_0.1", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2--1_0_0_-1-Iz-0.2_0.1", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0.2_0.1", "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": 35.834698722330884, "binding_energy_gs": 15.20944215041797, "distance": 2.7679486774570883}


unique_id: 6788bda7d9fb1368c6deef9a499d3331
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2--1_0_0_-1-0.5_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-0.5_0.5", "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": 35.719684151548186, "binding_energy_gs": 15.093821486105478, "distance": 2.7525067941036525}


unique_id: 7ed909c17eb0cebc4cde60bf202c1c13
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0.53_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2--1_0_0_-1-Iz-0.53_0.58", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0.53_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": 35.69885147040592, "binding_energy_gs": 15.073332524772535, "distance": 2.9005255238723233}


unique_id: bbe44f1a369d41a39686386034765cfa
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2-1_0_0_-1-Iz-0.5_0", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 9, "layer_group": "p2_111", "space_group_number": 4, "space_group": "P2_1", "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": 35.23372793556717, "binding_energy_gs": 14.608477228423721, "distance": 2.7995145932702403}


unique_id: b0f1457ef0a566ca39d1d00e5022543b
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1-0.42_0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2-1_0_0_1-0.42_0.35", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1-0.42_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": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 34.92968369679308, "binding_energy_gs": 14.30398989117102, "distance": 2.834578175217846}


unique_id: 7b36a4f3b309b30de7dea52a55048e32
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2-1_0_0_1-0_0", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 20, "layer_group": "p2_122", "space_group_number": 17, "space_group": "P222_1", "equivalent_atoms": "[0 1 2 3 3 2 6 6 1 0 3 2 2 3 6 6]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 34.72467173516882, "binding_energy_gs": 14.099165743162189, "distance": 2.8093254425673244}


unique_id: 94a1933c9cb39400e67763fee5874726
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz--0.22_0.41", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2--1_0_0_-1-Iz--0.22_0.41", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz--0.22_0.41", "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": 34.72219859535823, "binding_energy_gs": 14.09676549371233, "distance": 2.9194650733602128}


unique_id: 2e49e81be7663781794649aa6118200e
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0.03_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2--1_0_0_-1-Iz-0.03_0.58", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0.03_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": 34.57662246008923, "binding_energy_gs": 13.951301577890067, "distance": 2.9068387070349537}


unique_id: c493e773f1569e9ece7d8f8c0ab15967
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1-0.92_0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2-1_0_0_1-0.92_0.66", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1-0.92_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": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 34.51833467451248, "binding_energy_gs": 13.892761618452813, "distance": 3.023973670096753}


unique_id: 7cd61782305f6f8489e8a2b68f6e575e
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2--1_0_0_-1-Iz-0.5_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0.5_0.5", "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": 34.251212850175534, "binding_energy_gs": 13.625761795115611, "distance": 3.0772946524259677}


unique_id: db2ac7afdfe084bed661135e4778bea7
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2--1_0_0_-1-0_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-0_0.5", "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": 34.20739873724025, "binding_energy_gs": 13.582082350319144, "distance": 3.0807923185604214}


unique_id: e6b72d685449dec5abbc98898eb4150a
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1--0.16_0.48", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2-1_0_0_1--0.16_0.48", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1--0.16_0.48", "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": 34.13553253911632, "binding_energy_gs": 13.509873100388065, "distance": 3.0744791353977927}


unique_id: 2f2fb1af065056d3aaa9cdeda13e5192
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2-1_0_0_1-0_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1-0_0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 21, "layer_group": "p2_12_12", "space_group_number": 18, "space_group": "P2_12_12", "equivalent_atoms": "[0 1 2 3 3 2 6 6 1 0 3 2 2 3 6 6]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 34.09342972945473, "binding_energy_gs": 13.467808833081477, "distance": 3.106045051210943}


unique_id: c6e2d85d091911f9a477aa061857b3a0
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz--0.38_-0.07", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2--1_0_0_-1-Iz--0.38_-0.07", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz--0.38_-0.07", "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": 33.79844502533944, "binding_energy_gs": 13.17298144022226, "distance": 2.894212340709693}


unique_id: 7831ac6a8fc86b3bf3e166b489bceb16
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1-0.25_0.83", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2-1_0_0_1-0.25_0.83", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1-0.25_0.83", "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": 33.72493019639136, "binding_energy_gs": 13.09951447464907, "distance": 2.9987209374462314}


unique_id: 597f62919cccef400a9d1bd84eda188d
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1-Iz-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2-1_0_0_1-Iz-0.5_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1-Iz-0.5_0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 7, "layer_group": "p112/a", "space_group_number": 13, "space_group": "P2/c", "equivalent_atoms": "[0 1 2 3 3 2 6 6 0 1 2 3 3 2 6 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 33.61223851882361, "binding_energy_gs": 12.989548574145223, "distance": 3.16567921670279}


unique_id: 53fa95ed5b92e0f15a1c46bab8285b22
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz--0.47_0.27", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2--1_0_0_-1-Iz--0.47_0.27", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz--0.47_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": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 32.89037930061812, "binding_energy_gs": 12.264847661540147, "distance": 3.228811048329094}


unique_id: 53ea48bdfc02d134eb9bfea0be53a458
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0.7_0.1", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2--1_0_0_-1-Iz-0.7_0.1", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-Iz-0.7_0.1", "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": 32.4659986784517, "binding_energy_gs": 11.840654371402831, "distance": 3.16567921670279}


unique_id: 4449192e5807fd00eddce319dfba6532
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1--0.33_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2-1_0_0_1--0.33_0", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2-1_0_0_1--0.33_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 8, "layer_group": "p211", "space_group_number": 3, "space_group": "P2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 1 0 4 5 2 3 6 7]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 30.583037186787088, "binding_energy_gs": 9.957548063069718, "distance": 3.3396328282282592}


unique_id: 246ac1e4bf8688a0c48ece2ec497d4c4
username: jensj
key_value_pairs:
  {"uid": "Br2Cu2Te4-af27d0354197-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/BrCuTe2/Br2Cu2Te4-af27d0354197/Br2Cu2Te4-2--1_0_0_-1-0.5_0", "stoichiometry": "ABC2", "monolayer_uid": "Br2Cu2Te4-af27d0354197", "bilayer_uid": "Br2Cu2Te4-af27d0354197-2--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": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 30.225604404016323, "binding_energy_gs": 9.599734123767947, "distance": 3.4027646598545633}


unique_id: e67a517479e2d1ff62c3d822244c6054
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 20, "layer_group": "p2_122", "space_group_number": 17, "space_group": "P222_1", "equivalent_atoms": "[0 0 2 2 2 2 6 6]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 68292, "ehull": 0.001171954268496922, "dynamically_stable": "Yes", "gap_pbe": 1.11, "gap_pbe_dir": 1.172, "gap_pbe_nosoc": 1.139, "gap_pbe_dir_nosoc": 1.21, "dipz": -0.0}


unique_id: 52762ce78ebbaea7c9a31f42795b5454
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz--0.88_-0.61", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2--1_0_0_-1-Iz--0.88_-0.61", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz--0.88_-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": false, "icsd_id": 68292, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 43.540760567467025, "binding_energy_gs": 17.224112153688072, "distance": 2.223913154747157}


unique_id: 24baf508baa7246c0fe56d638012f6d7
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz-0.19_0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2--1_0_0_-1-Iz-0.19_0.31", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz-0.19_0.31", "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, "icsd_id": 68292, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 42.156406114444835, "binding_energy_gs": 15.839637300434088, "distance": 2.3586864467561774}


unique_id: 7566057891a47fd3008132ec29a9468b
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz-0.16_0.39", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2--1_0_0_-1-Iz-0.16_0.39", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz-0.16_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": false, "icsd_id": 68292, "gap_pbe": 0.951, "gap_pbe_dir": 1.05, "gap_pbe_nosoc": 0.976, "gap_pbe_dir_nosoc": 1.069, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 41.73816406026405, "binding_energy_gs": 17.53448566307814, "distance": 2.205534978564108}


unique_id: 370a9f3bded140a6306abad82e12f93c
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz--0.84_-0.61", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2--1_0_0_-1-Iz--0.84_-0.61", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz--0.84_-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": false, "icsd_id": 68292, "gap_pbe": 0.951, "gap_pbe_dir": 1.05, "gap_pbe_nosoc": 0.976, "gap_pbe_dir_nosoc": 1.068, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 41.7373536052955, "binding_energy_gs": 17.533726891084275, "distance": 2.205534978564108}


unique_id: b6f8f308833e0f7352e9487b4aecf669
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2-1_0_0_1-0.5_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1-0.5_0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 20, "layer_group": "p2_122", "space_group_number": 17, "space_group": "P222_1", "equivalent_atoms": "[0 1 2 3 3 2 6 6 1 0 3 2 2 3 6 6]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 68292, "gap_pbe": 0.952, "gap_pbe_dir": 1.035, "gap_pbe_nosoc": 0.97, "gap_pbe_dir_nosoc": 1.05, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 41.71580933585621, "binding_energy_gs": 15.398946929296637, "distance": 2.402551099462528}


unique_id: 42aa05f8f74edc834e9d5b3aaf5d0fda
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2--1_0_0_-1-Iz-0_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz-0_0.5", "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, "icsd_id": 68292, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 41.5655575273057, "binding_energy_gs": 15.248893095219314, "distance": 2.4199470340330063}


unique_id: e1abbe120a23d150d7687b29cbc60ab4
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz--0.46_-0.97", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2--1_0_0_-1-Iz--0.46_-0.97", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz--0.46_-0.97", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 7, "layer_group": "p112/a", "space_group_number": 13, "space_group": "P2/c", "equivalent_atoms": "[0 1 2 3 3 2 6 6 0 1 2 3 3 2 6 6]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 68292, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 41.453023513021236, "binding_energy_gs": 15.135956570694757, "distance": 2.3035519182070328}


unique_id: 5063a7c2d16e9e1220b1b274a319ffba
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1--0.58_-0.64", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2-1_0_0_1--0.58_-0.64", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1--0.58_-0.64", "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, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 40.41810702063809, "binding_energy_gs": 14.10132776759713, "distance": 2.5189462152885014}


unique_id: dd0432dd7a9a7ad79a202109f18bdea1
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz-0.12_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2--1_0_0_-1-Iz-0.12_-0.33", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz-0.12_-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": false, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 39.68495526113555, "binding_energy_gs": 13.36801534071819, "distance": 2.6221069720465344}


unique_id: 1d8b81394c2d6a4ed1fa9e8fdbbc0617
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2-1_0_0_1-0_0", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 20, "layer_group": "p2_122", "space_group_number": 17, "space_group": "P222_1", "equivalent_atoms": "[0 1 2 3 3 2 6 6 1 0 3 2 2 3 6 6]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 39.61831485490072, "binding_energy_gs": 13.301461966253418, "distance": 2.5189462152885014}


unique_id: a4f22f3e8b5d4894110282d45736f722
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz-0.29_-0.79", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2--1_0_0_-1-Iz-0.29_-0.79", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz-0.29_-0.79", "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, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 39.25475525036043, "binding_energy_gs": 12.937995920912464, "distance": 2.6221069720465344}


unique_id: 62cc693cf4ba566efda6b909728ee3d7
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1-0.15_0.28", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2-1_0_0_1-0.15_0.28", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1-0.15_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": false, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 39.1478208386397, "binding_energy_gs": 12.831143403001194, "distance": 2.7394843294850784}


unique_id: 2a1eb235d8b9892da675ad9fd0e1cdb5
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz--0.13_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2--1_0_0_-1-Iz--0.13_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz--0.13_0.5", "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, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 39.0039908650399, "binding_energy_gs": 12.687116449852779, "distance": 2.7446281466001885}


unique_id: 3cce56a47ecd448de3133ce7e21cbbc1
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1-0.5_0.28", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2-1_0_0_1-0.5_0.28", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1-0.5_0.28", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 8, "layer_group": "p211", "space_group_number": 3, "space_group": "P2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 38.9305292514728, "binding_energy_gs": 12.61382671518896, "distance": 2.65371950729752}


unique_id: 45bbca0e85ac4ccdced5a562ff87440e
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz-0.54_0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2--1_0_0_-1-Iz-0.54_0.31", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz-0.54_0.31", "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, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 38.907736738652396, "binding_energy_gs": 12.590896878000072, "distance": 2.793636616421651}


unique_id: 1b08d74b8c5c66ed4fb295e8bc534091
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz--0.38_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2--1_0_0_-1-Iz--0.38_-0.33", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz--0.38_-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": false, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 38.90668882546872, "binding_energy_gs": 12.590020085267069, "distance": 2.8058887338770155}


unique_id: 1d3db7596e30f0a082401ba3310816e5
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1--0.08_-0.36", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2-1_0_0_1--0.08_-0.36", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1--0.08_-0.36", "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, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 38.27565615656708, "binding_energy_gs": 11.958939878118942, "distance": 2.886509738949462}


unique_id: 2d2a0dd1cdc02426eff0c3505ac2a298
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1--0.17_0.47", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2-1_0_0_1--0.17_0.47", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1--0.17_0.47", "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, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 38.1046621062762, "binding_energy_gs": 11.787953775091381, "distance": 2.9048879151325124}


unique_id: e9ac3b205ca45b5b0be7faa124633b68
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1--0.75_-0.17", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2-1_0_0_1--0.75_-0.17", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1--0.75_-0.17", "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, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 37.907483077197995, "binding_energy_gs": 11.590788358690002, "distance": 2.7823667405788584}


unique_id: 340cf8e012ff68d4c6788b12ff29fa55
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz--0.81_-0.25", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2--1_0_0_-1-Iz--0.81_-0.25", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz--0.81_-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": false, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 37.89316217189039, "binding_energy_gs": 11.576490991228644, "distance": 2.8242669100600644}


unique_id: bc221c9b0caf3613d3c5c4e5f3611889
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2-1_0_0_1-0_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1-0_0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 21, "layer_group": "p2_12_12", "space_group_number": 18, "space_group": "P2_12_12", "equivalent_atoms": "[0 1 2 3 3 2 6 6 1 0 3 2 2 3 6 6]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 37.73440286285562, "binding_energy_gs": 11.417342598952155, "distance": 2.990652737320069}


unique_id: a820be7fcc5143a552b9d71e94c4d3e9
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz--0.31_0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2--1_0_0_-1-Iz--0.31_0.03", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz--0.31_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": false, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 37.677007248007236, "binding_energy_gs": 11.360277180032377, "distance": 2.738502087872506}


unique_id: 10407f908777867aec199edf4c50251b
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2--1_0_0_-1-Iz-0.5_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz-0.5_0.5", "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, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 37.51920921978747, "binding_energy_gs": 11.203185498091274, "distance": 2.995796554435179}


unique_id: aaacfb29ab8c534e08c11773749e4c8f
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz--0.38_-0.61", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2--1_0_0_-1-Iz--0.38_-0.61", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz--0.38_-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": false, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 37.438861194316175, "binding_energy_gs": 11.122192149905414, "distance": 2.995796554435179}


unique_id: e6b83725a5b19e8871ae06291c880773
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz--0.21_-0.79", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2--1_0_0_-1-Iz--0.21_-0.79", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2--1_0_0_-1-Iz--0.21_-0.79", "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, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 36.897925055279764, "binding_energy_gs": 10.581255190520194, "distance": 2.9100317322476226}


unique_id: 3dffe6f967d06a581541765ddb170e4f
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1--0.35_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2-1_0_0_1--0.35_0", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1--0.35_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 8, "layer_group": "p211", "space_group_number": 3, "space_group": "P2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 1 0 4 5 2 3 6 7]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 34.41907709484181, "binding_energy_gs": 8.102352525759345, "distance": 3.2234429689720123}


unique_id: a860f690d7eeac9db97aace306557eb0
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1--0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuSe2/Cl2Cu2Se4-c8d0d00e7aa3/Cl2Cu2Se4-2-1_0_0_1--0.5_0", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3", "bilayer_uid": "Cl2Cu2Se4-c8d0d00e7aa3-2-1_0_0_1--0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 19, "layer_group": "p222", "space_group_number": 16, "space_group": "P222", "equivalent_atoms": "[0 1 2 3 3 2 6 6 1 0 3 2 2 3 6 6]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 68292, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 33.80830107970168, "binding_energy_gs": 7.4915566902363295, "distance": 3.3275859673426176}


unique_id: 92cf7acf3fedd46411f34851b17afd7e
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 20, "layer_group": "p2_122", "space_group_number": 17, "space_group": "P222_1", "equivalent_atoms": "[0 0 2 2 2 2 6 6]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 2107068, "ehull": 0.009220593008650635, "dynamically_stable": "Yes", "gap_pbe": 1.132, "gap_pbe_dir": 1.247, "gap_pbe_nosoc": 1.195, "gap_pbe_dir_nosoc": 1.399, "dipz": 0.0}


unique_id: 50fc475db5f61778ccb5a46d88042c07
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0.06_0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2--1_0_0_-1-Iz-0.06_0.31", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0.06_0.31", "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, "cod_id": 2107068, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 40.03019475873139, "binding_energy_gs": 18.718144663884598, "distance": 2.6164457742132665}


unique_id: 3fb02d449e42d6eaf032e85266c05643
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0.48_0.96", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2--1_0_0_-1-Iz-0.48_0.96", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0.48_0.96", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 7, "layer_group": "p112/a", "space_group_number": 13, "space_group": "P2/c", "equivalent_atoms": "[0 1 2 3 3 2 6 6 0 1 2 3 3 2 6 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2107068, "gap_pbe": 0.87, "gap_pbe_dir": 1.039, "gap_pbe_nosoc": 0.877, "gap_pbe_dir_nosoc": 1.098, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 39.9391615994737, "binding_energy_gs": 18.627414428258895, "distance": 2.501081133226439}


unique_id: 1e58f8fcd164092996496ab5cf94278b
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1--0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/M.Cl2Cu2Te4-2-1_0_0_1--0.5_0", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1--0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 7, "layer_group": "p112/a", "space_group_number": 13, "space_group": "P2/c", "equivalent_atoms": "[0 1 2 3 3 2 6 6 0 1 2 3 3 2 6 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2107068, "gap_pbe": 0.871, "gap_pbe_dir": 1.039, "gap_pbe_nosoc": 0.879, "gap_pbe_dir_nosoc": 1.098, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 39.924915972907606, "binding_energy_gs": 18.613193579044463, "distance": 2.495901302356428}


unique_id: cd0c81ef04b4e80a597a7d4692cf53c3
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2-1_0_0_1-0.5_0", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 19, "layer_group": "p222", "space_group_number": 16, "space_group": "P222", "equivalent_atoms": "[0 1 2 3 3 2 6 6 1 0 3 2 2 3 6 6]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 32.284350449202925, "binding_energy_gs": 10.97219196010465, "distance": 3.3120331476664457}


unique_id: 3c5502c9fa6c5da44cf6835cbd9843c8
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1--0.08_0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/M.Cl2Cu2Te4-2-1_0_0_1--0.08_0.34", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1--0.08_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 5 4 3 2 7 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2107068, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 39.89352888006129, "binding_energy_gs": 18.58137222699623, "distance": 2.6173377665530886}


unique_id: 64db9cf711f4983e71ef886f20d1dc90
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0.17_0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2--1_0_0_-1-Iz-0.17_0.31", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0.17_0.31", "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, "cod_id": 2107068, "gap_pbe": 0.825, "gap_pbe_dir": 1.007, "gap_pbe_nosoc": 0.873, "gap_pbe_dir_nosoc": 1.043, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 39.739518249086764, "binding_energy_gs": 20.26787361900041, "distance": 2.501081133226439}


unique_id: cccf64b6599218956c3c7d4d1bc59a43
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0.17_0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2--1_0_0_-1-Iz-0.17_0.3", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0.17_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 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2107068, "gap_pbe": 0.827, "gap_pbe_dir": 1.008, "gap_pbe_nosoc": 0.875, "gap_pbe_dir_nosoc": 1.044, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 39.73912496419289, "binding_energy_gs": 20.26752266365776, "distance": 2.501081133226439}


unique_id: 84ba60700d80c3eef05c96d92b110505
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-0.17_0.62", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/M.Cl2Cu2Te4-2--1_0_0_-1-0.17_0.62", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-0.17_0.62", "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, "cod_id": 2107068, "gap_pbe": 0.83, "gap_pbe_dir": 1.008, "gap_pbe_nosoc": 0.877, "gap_pbe_dir_nosoc": 1.044, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 39.720962770746176, "binding_energy_gs": 20.249384411095843, "distance": 2.495901302356428}


unique_id: a8afae01c58b6ba2f900d6abd953f681
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1--0.19_0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/M.Cl2Cu2Te4-2-1_0_0_1--0.19_0.34", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1--0.19_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 5 4 3 2 7 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2107068, "gap_pbe": 0.822, "gap_pbe_dir": 1.004, "gap_pbe_nosoc": 0.872, "gap_pbe_dir_nosoc": 1.039, "dipz": -0.001, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 39.69160637187576, "binding_energy_gs": 20.219667000622756, "distance": 2.495901302356428}


unique_id: 7dec6eb998779d0f612afe4651842f97
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0.19_0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/M.Cl2Cu2Te4-2-1_0_0_1-0.19_0.66", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0.19_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 5 4 3 2 7 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2107068, "gap_pbe": 0.822, "gap_pbe_dir": 1.003, "gap_pbe_nosoc": 0.872, "gap_pbe_dir_nosoc": 1.038, "dipz": 0.002, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 39.69114372400052, "binding_energy_gs": 20.219521011154075, "distance": 2.495901302356428}


unique_id: dbf576f25ec9e955f12217872cd190eb
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz--0.21_0.62", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2--1_0_0_-1-Iz--0.21_0.62", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz--0.21_0.62", "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, "cod_id": 2107068, "gap_pbe": 0.825, "gap_pbe_dir": 1.001, "gap_pbe_nosoc": 0.872, "gap_pbe_dir_nosoc": 1.035, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 39.65400379843602, "binding_energy_gs": 20.18241021969401, "distance": 2.507152956436272}


unique_id: 5d83888c74ec9b7984fa8cdf25519653
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/M.Cl2Cu2Te4-2--1_0_0_-1-0_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-0_0.5", "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, "cod_id": 2107068, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 38.211251782460195, "binding_energy_gs": 16.899163646505524, "distance": 2.702343291490747}


unique_id: c1930f95d3bea61d305404b92ffe6511
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2-1_0_0_1-0_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0_0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 21, "layer_group": "p2_12_12", "space_group_number": 18, "space_group": "P2_12_12", "equivalent_atoms": "[0 1 2 3 3 2 6 6 1 0 3 2 2 3 6 6]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 35.92929328250017, "binding_energy_gs": 14.61718442503962, "distance": 3.1177348049517946}


unique_id: 99af66d5acd20191c95fe1983286bdb9
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2--1_0_0_-1-Iz-0_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0_0.5", "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, "cod_id": 2107068, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 37.66082452685684, "binding_energy_gs": 16.348774633314523, "distance": 2.7682413544590894}


unique_id: b12c61e019d1ed9b0821f1b3a7ef142c
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0.23_0.13", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2--1_0_0_-1-Iz-0.23_0.13", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0.23_0.13", "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, "cod_id": 2107068, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 37.08221297374248, "binding_energy_gs": 15.770221951438689, "distance": 2.828959586557417}


unique_id: e5b741486b41837a0e6ce40ecb36ef07
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0.25_0.83", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2-1_0_0_1-0.25_0.83", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0.25_0.83", "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, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 34.71136002607435, "binding_energy_gs": 13.39925968172316, "distance": 3.0630883960632964}


unique_id: 25ccbdf7512e306bf9ed246cf6e8f66a
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1--0.41_0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/M.Cl2Cu2Te4-2-1_0_0_1--0.41_0.34", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1--0.41_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 5 4 3 2 7 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2107068, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 37.030677174507986, "binding_energy_gs": 15.718493213447639, "distance": 2.9695035127233993}


unique_id: e856b0fcbe6c689c4bfb6f5db5bf02f5
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0.75_0.17", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/M.Cl2Cu2Te4-2-1_0_0_1-0.75_0.17", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0.75_0.17", "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 5 4 3 2 7 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 36.99059544643895, "binding_energy_gs": 15.678537871933441, "distance": 2.829851578897241}


unique_id: 18fc6cf49c8d1a111d8e0271421a573a
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0.56_0.62", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2--1_0_0_-1-Iz-0.56_0.62", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0.56_0.62", "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, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 36.94498336898013, "binding_energy_gs": 15.632826371000098, "distance": 2.9807551668032435}


unique_id: a500afd0bebef89fd341a09b98264638
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/M.Cl2Cu2Te4-2-1_0_0_1-0.5_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0.5_0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 7, "layer_group": "p112/a", "space_group_number": 13, "space_group": "P2/c", "equivalent_atoms": "[0 1 2 3 3 2 6 6 0 1 2 3 3 2 6 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 35.068119851381894, "binding_energy_gs": 13.75598744150818, "distance": 3.2123764411167137}


unique_id: 49cc787345769b5081577050df85018f
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1--0.17_0.49", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2-1_0_0_1--0.17_0.49", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1--0.17_0.49", "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, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 35.735826404081756, "binding_energy_gs": 14.42364677176186, "distance": 3.1116629817419597}


unique_id: 934a818ccff6a003d11260e1ac30f33e
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0.92_0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/M.Cl2Cu2Te4-2-1_0_0_1-0.92_0.66", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0.92_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 5 4 3 2 7 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 35.529551580851546, "binding_energy_gs": 14.217456663885075, "distance": 3.024149921611894}


unique_id: be9d8cd463f6cd0f311e52ba6e457341
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1--0.19_-0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/M.Cl2Cu2Te4-2--1_0_0_-1--0.19_-0.35", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1--0.19_-0.35", "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, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 33.86889158549357, "binding_energy_gs": 12.556777236093842, "distance": 3.230591910746213}


unique_id: 6f03af019f141e32c0190de6998c3eb3
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1--0.17_-0.49", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/M.Cl2Cu2Te4-2-1_0_0_1--0.17_-0.49", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1--0.17_-0.49", "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 5 4 3 2 7 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 35.91057519892201, "binding_energy_gs": 14.5985008984341, "distance": 2.987718982352895}


unique_id: 10ba70753c848782f278d53479dee025
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz--0.19_0.45", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2--1_0_0_-1-Iz--0.19_0.45", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz--0.19_0.45", "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, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 35.9047700744352, "binding_energy_gs": 14.592750216974824, "distance": 2.992898813222906}


unique_id: 658f8a0c8cbe080c7f9e4d0bf067da46
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz--0.35_-0.04", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2--1_0_0_-1-Iz--0.35_-0.04", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz--0.35_-0.04", "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, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 35.82251911207644, "binding_energy_gs": 14.51066408539226, "distance": 2.8411032329770833}


unique_id: dc0595e8377ee3fc3b284ec7514f7c84
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1--0.33_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2-1_0_0_1--0.33_0", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1--0.33_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 8, "layer_group": "p211", "space_group_number": 3, "space_group": "P2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 1 0 4 5 2 3 6 7]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 32.76628187274721, "binding_energy_gs": 11.45401415734877, "distance": 3.2452430923582867}


unique_id: 3ffdf075bb3a45624a126cbb9d8a6dc8
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0.07_0.62", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2--1_0_0_-1-Iz-0.07_0.62", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0.07_0.62", "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, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 35.45033305721799, "binding_energy_gs": 14.138246387407268, "distance": 3.041473398901571}


unique_id: afcde271ea6729a16051b8f62e77ed0b
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0.09_0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/M.Cl2Cu2Te4-2-1_0_0_1-0.09_0.34", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0.09_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 5 4 3 2 7 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 35.42807985855237, "binding_energy_gs": 14.116015701300324, "distance": 3.0362935680315584}


unique_id: ccab78f84fe3dd942ac537b97bda3ecb
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2--1_0_0_-1-Iz-0.5_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0.5_0.5", "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, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 35.190231072504965, "binding_energy_gs": 13.878093049794614, "distance": 3.1993408023572254}


unique_id: aa5ba6c3392bcbd19e0c0bf663646518
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0.42_0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/M.Cl2Cu2Te4-2-1_0_0_1-0.42_0.34", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0.42_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 5 4 3 2 7 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 33.8708431466728, "binding_energy_gs": 12.558514954052757, "distance": 3.3216692588937082}


unique_id: 607864509b2130447ac15b7fa45042d8
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/M.Cl2Cu2Te4-2--1_0_0_-1-0.5_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-0.5_0.5", "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, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 34.93346202667367, "binding_energy_gs": 13.621224592676427, "distance": 3.2184482643265486}


unique_id: 9510244a78179f09192a45100e833a6e
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2-1_0_0_1-0_0", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 20, "layer_group": "p2_122", "space_group_number": 17, "space_group": "P222_1", "equivalent_atoms": "[0 1 2 3 3 2 6 6 1 0 3 2 2 3 6 6]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 34.22490393300488, "binding_energy_gs": 12.912849610925427, "distance": 3.0630883960632964}


unique_id: 9eb029a24ce22b339297416ab3258fc4
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz--0.44_0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2--1_0_0_-1-Iz--0.44_0.31", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz--0.44_0.31", "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, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 33.83283851786938, "binding_energy_gs": 12.520748392606421, "distance": 3.3329209129735524}


unique_id: 434c320a815c3771854760c8f5e6add2
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0.59_0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/M.Cl2Cu2Te4-2-1_0_0_1-0.59_0.66", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1-0.59_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 5 4 3 2 7 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 33.82633910552113, "binding_energy_gs": 12.515194803403146, "distance": 3.3277410821035396}


unique_id: 38af18edb876cefacaaa4cd9f6e02208
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0.73_0.13", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/Cl2Cu2Te4-2--1_0_0_-1-Iz-0.73_0.13", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2--1_0_0_-1-Iz-0.73_0.13", "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, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 32.98260165577391, "binding_energy_gs": 11.670569013428334, "distance": 3.2843463272948874}


unique_id: 32e8297ecd8954c4aef9d2a2cdfc166d
username: jensj
key_value_pairs:
  {"uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1--0.25_0.83", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/ClCuTe2/Cl2Cu2Te4-fc8a3cace7a2/M.Cl2Cu2Te4-2-1_0_0_1--0.25_0.83", "stoichiometry": "ABC2", "monolayer_uid": "Cl2Cu2Te4-fc8a3cace7a2", "bilayer_uid": "Cl2Cu2Te4-fc8a3cace7a2-2-1_0_0_1--0.25_0.83", "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 5 4 3 2 7 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2107068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 32.9738894122925, "binding_energy_gs": 11.661836619439942, "distance": 3.279166496424878}


unique_id: ec28528aa3b067840f4bd12cc7a10a7a
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Co2H2O4-3e1267eb3704", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CoHO2/Co2H2O4-3e1267eb3704", "stoichiometry": "ABC2", "monolayer_uid": "Co2H2O4-3e1267eb3704", "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]", "has_inversion_symmetry": true, "magnetic": true, "ehull": 0.051263633239361894, "dynamically_stable": "Yes", "gap_pbe": 0.746, "gap_pbe_dir": 1.036, "gap_pbe_nosoc": 0.746, "gap_pbe_dir_nosoc": 1.036, "dipz": -0.0}


unique_id: c0ecdf1865ae938561df02dd25c6456e
username: jensj
key_value_pairs:
  {"uid": "Co2H2O4-3e1267eb3704-2--1_0_0_-1--0.49_-0.9", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CoHO2/Co2H2O4-3e1267eb3704/H2Co2O4-2--1_0_0_-1--0.49_-0.9", "stoichiometry": "ABC2", "monolayer_uid": "Co2H2O4-3e1267eb3704", "bilayer_uid": "Co2H2O4-3e1267eb3704-2--1_0_0_-1--0.49_-0.9", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 28, "layer_group": "pm2_1b", "space_group_number": 26, "space_group": "Pmc2_1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 979.4432710116148, "binding_energy_gs": 53.76340087786358, "distance": 0.9027043942026118}


unique_id: 68e02e19063291f1a65c1101f66f6490
username: jensj
key_value_pairs:
  {"uid": "Co2H2O4-3e1267eb3704-2--1_0_0_-1--0.99_-0.91", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CoHO2/Co2H2O4-3e1267eb3704/H2Co2O4-2--1_0_0_-1--0.99_-0.91", "stoichiometry": "ABC2", "monolayer_uid": "Co2H2O4-3e1267eb3704", "bilayer_uid": "Co2H2O4-3e1267eb3704-2--1_0_0_-1--0.99_-0.91", "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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 970.0183641286336, "binding_energy_gs": 44.342399713235544, "distance": 0.9106142312794407}


unique_id: 4de6542e2ae146cdbfd38929f35fd522
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Co2H2S4-8a604096ad78", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CoHS2/Co2H2S4-8a604096ad78", "stoichiometry": "ABC2", "monolayer_uid": "Co2H2S4-8a604096ad78", "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]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.017277604307067207, "dynamically_stable": "Yes", "gap_pbe": 0.362, "gap_pbe_dir": 0.507, "gap_pbe_nosoc": 0.363, "gap_pbe_dir_nosoc": 0.508, "dipz": -0.0}


unique_id: da27279bad2f8b09ca4abea0da43008f
username: jensj
key_value_pairs:
  {"uid": "Co2H2S4-8a604096ad78-2--1_0_0_-1-0.9_0.98", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CoHS2/Co2H2S4-8a604096ad78/H2Co2S4-2--1_0_0_-1-0.9_0.98", "stoichiometry": "ABC2", "monolayer_uid": "Co2H2S4-8a604096ad78", "bilayer_uid": "Co2H2S4-8a604096ad78-2--1_0_0_-1-0.9_0.98", "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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": false, "magnetic": false, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 22.025738471285315, "binding_energy_gs": 21.610658177072867, "distance": 1.6783973601738893}


unique_id: da3c9cdcafaaa6ac18d9c69757518b05
username: jensj
key_value_pairs:
  {"uid": "Co2H2S4-8a604096ad78-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CoHS2/Co2H2S4-8a604096ad78/H2Co2S4-2-1_0_0_1-0_0", "stoichiometry": "ABC2", "monolayer_uid": "Co2H2S4-8a604096ad78", "bilayer_uid": "Co2H2S4-8a604096ad78-2-1_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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.752765047459334, "binding_energy_gs": 17.34830445855371, "distance": 1.8078104500372447}


unique_id: 416494e51d4af70f64c022a39eb1f0bb
username: jensj
key_value_pairs:
  {"uid": "Co2H2S4-8a604096ad78-2-1_0_0_1-0_0.79", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CoHS2/Co2H2S4-8a604096ad78/H2Co2S4-2-1_0_0_1-0_0.79", "stoichiometry": "ABC2", "monolayer_uid": "Co2H2S4-8a604096ad78", "bilayer_uid": "Co2H2S4-8a604096ad78-2-1_0_0_1-0_0.79", "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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.530751941943578, "binding_energy_gs": 17.123621669119952, "distance": 2.023498933142836}


unique_id: 474b632665db3c47ef912436b54f8c76
username: jensj
key_value_pairs:
  {"uid": "Co2H2S4-8a604096ad78-2--1_0_0_-1-0.4_0.98", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CoHS2/Co2H2S4-8a604096ad78/H2Co2S4-2--1_0_0_-1-0.4_0.98", "stoichiometry": "ABC2", "monolayer_uid": "Co2H2S4-8a604096ad78", "bilayer_uid": "Co2H2S4-8a604096ad78-2--1_0_0_-1-0.4_0.98", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 28, "layer_group": "pm2_1b", "space_group_number": 26, "space_group": "Pmc2_1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.294836968071138, "binding_energy_gs": 16.879193261666437, "distance": 2.127029405033518}


unique_id: 5bd81133181278324a66c91161469794
username: jensj
key_value_pairs:
  {"uid": "Co2H2S4-8a604096ad78-2--1_0_0_-1-0.9_0.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CoHS2/Co2H2S4-8a604096ad78/H2Co2S4-2--1_0_0_-1-0.9_0.2", "stoichiometry": "ABC2", "monolayer_uid": "Co2H2S4-8a604096ad78", "bilayer_uid": "Co2H2S4-8a604096ad78-2--1_0_0_-1-0.9_0.2", "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]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.46495188923604, "binding_energy_gs": 16.06729127235296, "distance": 2.023498933142836}


unique_id: 34fe2eecd8d517b4517815d022ab896e
username: jensj
key_value_pairs:
  {"uid": "Co2H2S4-8a604096ad78-2-1_0_0_1-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CoHS2/Co2H2S4-8a604096ad78/H2Co2S4-2-1_0_0_1-0_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Co2H2S4-8a604096ad78", "bilayer_uid": "Co2H2S4-8a604096ad78-2-1_0_0_1-0_0.5", "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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.96436579509777, "binding_energy_gs": 14.564780097735119, "distance": 2.178794640978861}


unique_id: e2d5ec078c2a3047aa254b94bd083fce
username: jensj
key_value_pairs:
  {"uid": "Co2H2S4-8a604096ad78-2-1_0_0_1-0_0.21", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CoHS2/Co2H2S4-8a604096ad78/H2Co2S4-2-1_0_0_1-0_0.21", "stoichiometry": "ABC2", "monolayer_uid": "Co2H2S4-8a604096ad78", "bilayer_uid": "Co2H2S4-8a604096ad78-2-1_0_0_1-0_0.21", "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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.744075912831013, "binding_energy_gs": 14.347416163375726, "distance": 2.023498933142836}


unique_id: eeca6b0b5146e90873aa5ec6b6714f75
username: jensj
key_value_pairs:
  {"uid": "Co2H2S4-8a604096ad78-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CoHS2/Co2H2S4-8a604096ad78/H2Co2S4-2-1_0_0_1-0.5_0", "stoichiometry": "ABC2", "monolayer_uid": "Co2H2S4-8a604096ad78", "bilayer_uid": "Co2H2S4-8a604096ad78-2-1_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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.418649563898713, "binding_energy_gs": 13.011487632636445, "distance": 2.334090348814886}


unique_id: 56e86d88dcf759dea9b3b2b6898b3ac8
username: jensj
key_value_pairs:
  {"uid": "Co2H2S4-8a604096ad78-2-1_0_0_1-0.5_0.72", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CoHS2/Co2H2S4-8a604096ad78/H2Co2S4-2-1_0_0_1-0.5_0.72", "stoichiometry": "ABC2", "monolayer_uid": "Co2H2S4-8a604096ad78", "bilayer_uid": "Co2H2S4-8a604096ad78-2-1_0_0_1-0.5_0.72", "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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.191594855191298, "binding_energy_gs": 12.784263469981171, "distance": 2.532523753272031}


unique_id: 365b3b3f695c5ef860313d0a2b094c65
username: jensj
key_value_pairs:
  {"uid": "Co2H2S4-8a604096ad78-2--1_0_0_-1-0.9_0.48", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CoHS2/Co2H2S4-8a604096ad78/H2Co2S4-2--1_0_0_-1-0.9_0.48", "stoichiometry": "ABC2", "monolayer_uid": "Co2H2S4-8a604096ad78", "bilayer_uid": "Co2H2S4-8a604096ad78-2--1_0_0_-1-0.9_0.48", "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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.714191926205688, "binding_energy_gs": 12.316002974917419, "distance": 2.29095265219377}


unique_id: 9f48e879f06d6a19207e46a8ece8d661
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "CrHO2-9c68093160c9", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CrHO2/CrHO2-9c68093160c9", "stoichiometry": "ABC2", "monolayer_uid": "CrHO2-9c68093160c9", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 69, "layer_group": "p3m1", "space_group_number": 156, "space_group": "P3m1", "equivalent_atoms": "[0 1 2 3]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 9012135, "ehull": 0.18142476244476136, "dynamically_stable": "Yes", "gap_pbe": 0.901, "gap_pbe_dir": 1.155, "gap_pbe_nosoc": 0.902, "gap_pbe_dir_nosoc": 1.155, "dipz": -0.282}


unique_id: 814c3f9638edd6e71300427ed1465cfa
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "CrHO2-9c68093160c9-2-1_0_0_1-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CrHO2/CrHO2-9c68093160c9/HCrO2-2-1_0_0_1-0.33_-0.33", "stoichiometry": "ABC2", "monolayer_uid": "CrHO2-9c68093160c9", "bilayer_uid": "CrHO2-9c68093160c9-2-1_0_0_1-0.33_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 69, "layer_group": "p3m1", "space_group_number": 156, "space_group": "P3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 9012135, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.242, "interlayer_magnetic_exchange": -0.0008006107666673756, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 314.7004000908134, "binding_energy_gs": 72.93003166177266, "distance": 1.76100000000001}


unique_id: 55f1d61a19ff38d9ca25c13835fbb255
username: jensj
key_value_pairs:
  {"uid": "CrHO2-9c68093160c9-2-1_-1_1_0-1.0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CrHO2/CrHO2-9c68093160c9/HCrO2-2-1_-1_1_0-1.0_0", "stoichiometry": "ABC2", "monolayer_uid": "CrHO2-9c68093160c9", "bilayer_uid": "CrHO2-9c68093160c9-2-1_-1_1_0-1.0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 69, "layer_group": "p3m1", "space_group_number": 156, "space_group": "P3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 9012135, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 314.617363225063, "binding_energy_gs": 72.85013335368603, "distance": 1.7708750000000109}


unique_id: ee622f32de53b9094e1cc1cc4a7f4b52
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 20, "layer_group": "p2_122", "space_group_number": 17, "space_group": "P222_1", "equivalent_atoms": "[0 0 2 2 2 2 6 6]", "has_inversion_symmetry": false, "magnetic": false, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 0.966, "gap_pbe_dir": 1.042, "gap_pbe_nosoc": 1.095, "gap_pbe_dir_nosoc": 1.146, "dipz": -0.0}


unique_id: b4941f2e69150ec9630276010e89ad5b
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.05_0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz-0.05_0.32", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.05_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": false, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 39.31320322385208, "binding_energy_gs": 14.449672877783243, "distance": 2.3120405753490623}


unique_id: b991e7dcb69e779e0569b9c4273659e1
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz-0_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0_0.5", "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": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 39.25626756534702, "binding_energy_gs": 14.392610194563938, "distance": 2.3655322375585026}


unique_id: 1db9d3e40472b9d6819ba26c458ea45d
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2-1_0_0_1-0.5_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0.5_0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 20, "layer_group": "p2_122", "space_group_number": 17, "space_group": "P222_1", "equivalent_atoms": "[0 1 2 3 3 2 6 6 1 0 3 2 2 3 6 6]", "has_inversion_symmetry": false, "magnetic": false, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 39.0885300144927, "binding_energy_gs": 14.224801118425738, "distance": 2.3722220939612537}


unique_id: 531e619781306b873c8f7bce2c035e06
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz--0.2_-0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz--0.2_-0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz--0.2_-0.5", "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": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 38.56362966392476, "binding_energy_gs": 13.699785959465839, "distance": 2.492574935305923}


unique_id: 761945012b9a2d12a4db926a9fe4547e
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.06_0.37", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz-0.06_0.37", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.06_0.37", "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, "gap_pbe": 0.877, "gap_pbe_dir": 0.943, "gap_pbe_nosoc": 0.98, "gap_pbe_dir_nosoc": 1.077, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 38.22119514186732, "binding_energy_gs": 15.23355297116352, "distance": 2.285294744244341}


unique_id: 788524e91e84a7c6ed08eac466f4e203
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz--0.12_0.54", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz--0.12_0.54", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz--0.12_0.54", "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, "gap_pbe": 0.877, "gap_pbe_dir": 0.943, "gap_pbe_nosoc": 0.98, "gap_pbe_dir_nosoc": 1.075, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 38.20318622362948, "binding_energy_gs": 15.218008496361733, "distance": 2.285294744244341}


unique_id: 43a2b73ba043c6210187cc80fcece87a
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz--0.11_0.54", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz--0.11_0.54", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz--0.11_0.54", "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, "gap_pbe": 0.876, "gap_pbe_dir": 0.942, "gap_pbe_nosoc": 0.979, "gap_pbe_dir_nosoc": 1.075, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 38.20305030843497, "binding_energy_gs": 15.215357358443573, "distance": 2.285294744244341}


unique_id: de6862986deb484356f1838142544e5b
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.89_0.54", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz-0.89_0.54", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.89_0.54", "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, "gap_pbe": 0.876, "gap_pbe_dir": 0.942, "gap_pbe_nosoc": 0.979, "gap_pbe_dir_nosoc": 1.075, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 38.20205043317049, "binding_energy_gs": 15.214759598609866, "distance": 2.285294744244341}


unique_id: 3b8a252716842fea0058afeaace22056
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz--0.12_-0.45", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz--0.12_-0.45", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz--0.12_-0.45", "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": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 38.19795269969693, "binding_energy_gs": 15.210028649506626, "distance": 2.285294744244341}


unique_id: cfd1a5c993a7d3431ee4c4ea4d485195
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0.42_0.36", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2-1_0_0_1-0.42_0.36", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0.42_0.36", "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": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 37.60369062458219, "binding_energy_gs": 12.739783591813625, "distance": 2.519324165037215}


unique_id: b8b01ae7af5e65a886db52c42b540a35
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0.5_0.48", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2-1_0_0_1-0.5_0.48", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0.5_0.48", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 8, "layer_group": "p211", "space_group_number": 3, "space_group": "P2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": false, "magnetic": false, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 37.21460009293491, "binding_energy_gs": 14.226742291080063, "distance": 2.3710523299035895}


unique_id: 7c0922e2990c4fa5b552203c8855f6c2
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0.5_0.47", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2-1_0_0_1-0.5_0.47", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0.5_0.47", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 8, "layer_group": "p211", "space_group_number": 3, "space_group": "P2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": false, "magnetic": false, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 37.20728529094568, "binding_energy_gs": 14.219928890912444, "distance": 2.3722220939612537}


unique_id: aec793889c9ad01a52e117cef049aaa5
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.47_0.23", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz-0.47_0.23", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.47_0.23", "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": "Unstable-Saddle", "binding_energy_zscan": 36.9633992758606, "binding_energy_gs": 12.099604086856845, "distance": 2.6998551263675026}


unique_id: c89b31cf0289fa9c8a390c96dfd41318
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.55_0.59", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz-0.55_0.59", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.55_0.59", "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": "Unstable-Saddle", "binding_energy_zscan": 36.9559997993047, "binding_energy_gs": 12.09208353716884, "distance": 2.726600957472222}


unique_id: 778588f722e8e705810155826e29bb91
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz--0.2_0.41", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz--0.2_0.41", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz--0.2_0.41", "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": "Unstable-Saddle", "binding_energy_zscan": 36.827714433165724, "binding_energy_gs": 11.965090327775204, "distance": 2.7065415841436824}


unique_id: a58bbd185ce40e9c76d3bcd39a289938
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.05_0.59", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz-0.05_0.59", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.05_0.59", "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": "Unstable-Saddle", "binding_energy_zscan": 36.721778725671705, "binding_energy_gs": 11.857653612140126, "distance": 2.6731092952627833}


unique_id: ff03d88ee3ef63563f48830519bf8413
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0.92_0.64", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2-1_0_0_1-0.92_0.64", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0.92_0.64", "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": 36.25658060453218, "binding_energy_gs": 11.392744130318626, "distance": 2.826901222741496}


unique_id: 3cd4fcb6900717d920d245f7f8d0fc78
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0.16_0.27", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2-1_0_0_1-0.16_0.27", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0.16_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": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 36.20964895555062, "binding_energy_gs": 11.346109305173211, "distance": 2.7734095605320537}


unique_id: 3fbe9cb5795ca7d2c558a74b325a1254
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1--0.17_0.45", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2-1_0_0_1--0.17_0.45", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1--0.17_0.45", "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": 36.113252124123846, "binding_energy_gs": 11.249499424799527, "distance": 2.853647053846215}


unique_id: 61da9c69c8402da03eeae0e6e33c107a
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2-1_0_0_1-0_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0_0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 21, "layer_group": "p2_12_12", "space_group_number": 18, "space_group": "P2_12_12", "equivalent_atoms": "[0 1 2 3 3 2 6 6 1 0 3 2 2 3 6 6]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 35.772270036598215, "binding_energy_gs": 10.90789457924073, "distance": 2.9338845471603747}


unique_id: 27389761d3c2f574183ee2bcfa39c5bb
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz-0.5_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.5_0.5", "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": 35.66594138452129, "binding_energy_gs": 10.802817416367793, "distance": 2.9405676063099833}


unique_id: bf44bc23bf98762e03f4330398b600a8
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz--0.45_0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz--0.45_0.32", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--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": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 35.608479955306386, "binding_energy_gs": 10.741996181638182, "distance": 2.9138217752052658}


unique_id: f800e8071c75dbf92c547eede8d095cf
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.13_0.23", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz-0.13_0.23", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.13_0.23", "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": 35.4059894556082, "binding_energy_gs": 10.542380375197345, "distance": 2.7332874152484035}


unique_id: 15af788bb18368a5727528977aa8c2dd
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz--0.87_-0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz--0.87_-0.31", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz--0.87_-0.31", "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": 33.9748339707515, "binding_energy_gs": 9.111139279434642, "distance": 3.040864472952684}


unique_id: ec8a08e6b3c533f7e1a954a904f0387a
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.47_0.96", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz-0.47_0.96", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.47_0.96", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 7, "layer_group": "p112/a", "space_group_number": 13, "space_group": "P2/c", "equivalent_atoms": "[0 1 2 3 3 2 6 6 0 1 2 3 3 2 6 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 33.89963505504062, "binding_energy_gs": 9.035923353013242, "distance": 2.9940592685194254}


unique_id: 4f71748f0f76559019de7d3c78fe0ae2
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0.5_0.27", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2-1_0_0_1-0.5_0.27", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0.5_0.27", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 8, "layer_group": "p211", "space_group_number": 3, "space_group": "P2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 33.87650751410314, "binding_energy_gs": 9.012714100848203, "distance": 2.9940626671459967}


unique_id: 5750a0bcfed5d705bfc2830a2249acce
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2-1_0_0_1-0_0", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 20, "layer_group": "p2_122", "space_group_number": 17, "space_group": "P222_1", "equivalent_atoms": "[0 1 2 3 3 2 6 6 1 0 3 2 2 3 6 6]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 33.743492307070674, "binding_energy_gs": 8.879600380762463, "distance": 3.027494956026894}


unique_id: f8f0ea97a613866d5ca17b3f309bc370
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.22_0.14", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz-0.22_0.14", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.22_0.14", "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": 33.07209423056136, "binding_energy_gs": 8.20800627311441, "distance": 3.147847797371563}


unique_id: 99c09f385c4eff655afb4b9d1cf47f25
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0.25_0.82", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2-1_0_0_1-0.25_0.82", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0.25_0.82", "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": 32.71909603747263, "binding_energy_gs": 7.855375982728201, "distance": 3.2347751470884756}


unique_id: eb68b5376ad0e0213d1f9afd908767f5
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.72_0.14", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz-0.72_0.14", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.72_0.14", "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": 32.547891746945794, "binding_energy_gs": 7.6844001487314415, "distance": 3.274890495118985}


unique_id: d0fda58c8b71e205e19b538c652bef15
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz--0.37_-0.04", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz--0.37_-0.04", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz--0.37_-0.04", "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": 31.906586442288518, "binding_energy_gs": 7.0428611802877255, "distance": 3.401933192866405}


unique_id: 71c4cc40e80e5a72bb27c0290fb25c8b
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1--0.34_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2-1_0_0_1--0.34_0", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1--0.34_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 8, "layer_group": "p211", "space_group_number": 3, "space_group": "P2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 1 0 4 5 2 3 6 7]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 30.228878374802495, "binding_energy_gs": 5.364885491907582, "distance": 3.876675093601758}


unique_id: cacc50fe51ba45e51a2ca4f76ed9adc5
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2-1_0_0_1-0.5_0", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 19, "layer_group": "p222", "space_group_number": 16, "space_group": "P222", "equivalent_atoms": "[0 1 2 3 3 2 6 6 1 0 3 2 2 3 6 6]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 29.882125279208264, "binding_energy_gs": 5.018074415622117, "distance": 3.9903448757968167}


unique_id: b3f192d0ac82f54d6f8bac3deb7279dc
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.97_0.96", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuISe2/Cu2I2Se4-b30d27347163/Cu2I2Se4-2--1_0_0_-1-Iz-0.97_0.96", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Se4-b30d27347163", "bilayer_uid": "Cu2I2Se4-b30d27347163-2--1_0_0_-1-Iz-0.97_0.96", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 6, "layer_group": "p112/m", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 2 3 3 2 6 6 0 1 2 3 3 2 6 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 29.823722904178783, "binding_energy_gs": 4.959801068861389, "distance": 4.003714392722607}


unique_id: eea881b733829ee3f0c3fb5654b3a580
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 20, "layer_group": "p2_122", "space_group_number": 17, "space_group": "P222_1", "equivalent_atoms": "[0 0 2 2 2 2 6 6]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 7223695, "ehull": 0.00860902721572998, "dynamically_stable": "Yes", "gap_pbe": 1.04, "gap_pbe_dir": 1.168, "gap_pbe_nosoc": 1.188, "gap_pbe_dir_nosoc": 1.363, "dipz": 0.0}


unique_id: d61d54529f17d553253518a60d98e8ee
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz-0_0.24", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2--1_0_0_-1-Iz-0_0.24", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz-0_0.24", "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, "cod_id": 7223695, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 38.345861207518155, "binding_energy_gs": 17.633015036857223, "distance": 2.387719373606478}


unique_id: af944c902ccdc51ff1415ee4902bc9ec
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2--1_0_0_1-0.25_-0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2--1_0_0_1-0.25_-0.3", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2--1_0_0_1-0.25_-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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 7223695, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 38.21423604996126, "binding_energy_gs": 17.501455007751847, "distance": 2.4059585368421708}


unique_id: 6cd09468bd65950c439defd1e22a5945
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2--1_0_0_1-0.26_-0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2--1_0_0_1-0.26_-0.35", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2--1_0_0_1-0.26_-0.35", "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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 7223695, "gap_pbe": 0.857, "gap_pbe_dir": 0.996, "gap_pbe_nosoc": 0.983, "gap_pbe_dir_nosoc": 1.128, "dipz": 0.001, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 37.657759914143426, "binding_energy_gs": 18.548897189105197, "distance": 2.333536059444363}


unique_id: dcd1d05057d5fb55baffd112a83dc72b
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2-1_0_0_-1-0.34_0.54", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2-1_0_0_-1-0.34_0.54", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2-1_0_0_-1-0.34_0.54", "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 1 0 4 5 2 3 6 7]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 7223695, "gap_pbe": 0.854, "gap_pbe_dir": 0.994, "gap_pbe_nosoc": 0.979, "gap_pbe_dir_nosoc": 1.126, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 37.651408026682304, "binding_energy_gs": 18.541932124227525, "distance": 2.3269521978627434}


unique_id: 4e0cd5ee9abaef4dc1951bb3957600f4
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-Iz-0.16_0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2-1_0_0_1-Iz-0.16_0.35", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-Iz-0.16_0.35", "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 5 4 3 2 7 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 7223695, "gap_pbe": 0.855, "gap_pbe_dir": 0.994, "gap_pbe_nosoc": 0.98, "gap_pbe_dir_nosoc": 1.126, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 37.65095111964353, "binding_energy_gs": 18.542042538569348, "distance": 2.328464619371907}


unique_id: 2b3214f0bb7837f72c931080238700c6
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz-0.08_0.24", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2--1_0_0_-1-Iz-0.08_0.24", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz-0.08_0.24", "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, "cod_id": 7223695, "gap_pbe": 0.856, "gap_pbe_dir": 0.996, "gap_pbe_nosoc": 0.982, "gap_pbe_dir_nosoc": 1.127, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 37.6404008922883, "binding_energy_gs": 18.529442009942134, "distance": 2.3350484809535264}


unique_id: 375da6fe5d93eaba33e5fee6fa939628
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-Iz-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2-1_0_0_1-Iz-0_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-Iz-0_0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 7, "layer_group": "p112/a", "space_group_number": 13, "space_group": "P2/c", "equivalent_atoms": "[0 1 2 3 3 2 6 6 0 1 2 3 3 2 6 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 7223695, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 36.57183735183804, "binding_energy_gs": 15.859445610639538, "distance": 2.565483636310189}


unique_id: 74e1416c97c5994c2fd8078b05105125
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2-1_0_0_-1-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2-1_0_0_-1-0.5_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2-1_0_0_-1-0.5_0.5", "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 1 0 4 5 2 3 6 7]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 7223695, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 36.407258086915974, "binding_energy_gs": 15.694420938780606, "distance": 2.5573873532194025}


unique_id: bd91d67391d4e587126245e1c3e6c2ca
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2-1_0_0_1-0.5_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-0.5_0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 20, "layer_group": "p2_122", "space_group_number": 17, "space_group": "P222_1", "equivalent_atoms": "[0 1 2 3 3 2 6 6 1 0 3 2 2 3 6 6]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 7223695, "with_props": false, "slide_stability": "Stable", "binding_energy_zscan": 35.783609025556885, "binding_energy_gs": 15.069769204514111, "distance": 2.6429775537804474}


unique_id: 6d00892f71067804fe656b54bbc7eb8b
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz-0.42_0.89", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2--1_0_0_-1-Iz-0.42_0.89", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz-0.42_0.89", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 7, "layer_group": "p112/a", "space_group_number": 13, "space_group": "P2/c", "equivalent_atoms": "[0 1 2 3 3 2 6 6 0 1 2 3 3 2 6 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 34.95271232824208, "binding_energy_gs": 14.240559613812284, "distance": 2.6181545289631387}


unique_id: 8c68a49e5ca01390ebd2b92f2b4b2b77
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-0.42_0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2-1_0_0_1-0.42_0.35", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-0.42_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": false, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 34.57238960310032, "binding_energy_gs": 13.859038958496956, "distance": 2.7746547854128245}


unique_id: a83616cbabf4c1c0bd7bc12bcf6ad382
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2-1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2-1_0_0_-1-Iz-0.5_0", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2-1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 9, "layer_group": "p2_111", "space_group_number": 4, "space_group": "P2_1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 34.56728678455251, "binding_energy_gs": 13.85416386383015, "distance": 2.77616720692199}


unique_id: 9f988b0a034eac0a9a03dc8f2a64bdc3
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz-0.5_0.54", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2--1_0_0_-1-Iz-0.5_0.54", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz-0.5_0.54", "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, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 34.53532893108254, "binding_energy_gs": 13.822126250955035, "distance": 2.8946767153911317}


unique_id: 17fd1211d0df0d0536186969ebdc6e97
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz--0.25_0.37", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2--1_0_0_-1-Iz--0.25_0.37", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz--0.25_0.37", "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, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 33.695719522209636, "binding_energy_gs": 12.982580488787525, "distance": 2.9275960232992233}


unique_id: 5f7d69e762e305a813638fb0cb37de99
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2-1_0_0_1-0_0", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 20, "layer_group": "p2_122", "space_group_number": 17, "space_group": "P222_1", "equivalent_atoms": "[0 1 2 3 3 2 6 6 1 0 3 2 2 3 6 6]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 33.62992298842665, "binding_energy_gs": 12.91689206929315, "distance": 2.8207418164841584}


unique_id: 274e1ecd09c70725b09648e0d38f9078
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2-1_0_0_-1-0_0.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2-1_0_0_-1-0_0.2", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2-1_0_0_-1-0_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 1 0 4 5 2 3 6 7]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 33.584110933545645, "binding_energy_gs": 12.870882820919864, "distance": 3.0050899407694853}


unique_id: 8179aa5b0b15ec942fba416ceadb4db0
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-0.17_0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2-1_0_0_1-0.17_0.3", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-0.17_0.3", "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, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 33.57852210357939, "binding_energy_gs": 12.865243168894358, "distance": 2.9787544944430113}


unique_id: 9c12cf3cd0edc083b0cb0c9a14e9d7dd
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz-0_0.54", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2--1_0_0_-1-Iz-0_0.54", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz-0_0.54", "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, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 33.570886696549, "binding_energy_gs": 12.857514581930916, "distance": 2.9210121617176057}


unique_id: f28aff0899cf622c4c01c4896d7052bd
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2--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": false, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 33.46184278379451, "binding_energy_gs": 12.749108618534123, "distance": 2.8880928538095123}


unique_id: 31263ce09cb0d1ef8b89112b0607539c
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-0.92_0.65", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2-1_0_0_1-0.92_0.65", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-0.92_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": false, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 33.21796808688599, "binding_energy_gs": 12.504658642848216, "distance": 3.0445931102592}


unique_id: 950b9be211b7bd979811c29c13b383a2
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1--0.17_0.47", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2-1_0_0_1--0.17_0.47", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1--0.17_0.47", "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, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 32.90161491496171, "binding_energy_gs": 12.188243138130321, "distance": 3.103847864493769}


unique_id: 372f58c593a72a39bf339df85d46d9ba
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz-0.17_0.07", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2--1_0_0_-1-Iz-0.17_0.07", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz-0.17_0.07", "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, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 32.836704739467834, "binding_energy_gs": 12.123685625678393, "distance": 2.9341798848808427}


unique_id: c61e6aecfd755e6a5e68415432ecc3fb
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2-1_0_0_1-0_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-0_0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 21, "layer_group": "p2_12_12", "space_group_number": 18, "space_group": "P2_12_12", "equivalent_atoms": "[0 1 2 3 3 2 6 6 1 0 3 2 2 3 6 6]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 32.78562586425255, "binding_energy_gs": 12.072286708240972, "distance": 3.156518757146719}


unique_id: cd2bd4058d77927b2d61c36a262a01a2
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-Iz-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2-1_0_0_1-Iz-0.5_0.5", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-Iz-0.5_0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 7, "layer_group": "p112/a", "space_group_number": 13, "space_group": "P2/c", "equivalent_atoms": "[0 1 2 3 3 2 6 6 0 1 2 3 3 2 6 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 32.4077095936361, "binding_energy_gs": 11.694526626889317, "distance": 3.2041182097272163}


unique_id: f43f4dc8389d5d988c0cd6fee27da5fe
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz--0.5_0.24", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2--1_0_0_-1-Iz--0.5_0.24", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz--0.5_0.24", "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, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 32.188560157416475, "binding_energy_gs": 11.475680421108441, "distance": 3.190950486563981}


unique_id: 7a3933307b26409f6de37058e253d1ec
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz-0.75_0.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2--1_0_0_-1-Iz-0.75_0.2", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz-0.75_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, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 32.168948979574004, "binding_energy_gs": 11.455874222683732, "distance": 3.1382795939110277}


unique_id: 9afb1793236f71fffc1389f33702b3bc
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-0.25_0.82", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2-1_0_0_1-0.25_0.82", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2-1_0_0_1-0.25_0.82", "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, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 31.672824531328725, "binding_energy_gs": 10.959718947286138, "distance": 3.123599449238627}


unique_id: 415fb1831fa120290d89b1b1bce5c38c
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz-0.67_0.07", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2--1_0_0_-1-Iz-0.67_0.07", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz-0.67_0.07", "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, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 30.94477225516681, "binding_energy_gs": 10.23172184979395, "distance": 3.2502052407985484}


unique_id: 265b133473060c34869ebf07a19295bf
username: jensj
key_value_pairs:
  {"uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz--0.42_-0.11", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuITe2/Cu2I2Te4-87eeef832712/Cu2I2Te4-2--1_0_0_-1-Iz--0.42_-0.11", "stoichiometry": "ABC2", "monolayer_uid": "Cu2I2Te4-87eeef832712", "bilayer_uid": "Cu2I2Te4-87eeef832712-2--1_0_0_-1-Iz--0.42_-0.11", "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, "cod_id": 7223695, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 30.57813840365593, "binding_energy_gs": 9.865044592171756, "distance": 3.1975343481455987}


unique_id: bfe649fd50c6f7342131d5304a0c7a14
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cu2Sb2S4-65d9e486a5d3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuSbS2/Cu2Sb2S4-65d9e486a5d3", "stoichiometry": "ABC2", "monolayer_uid": "Cu2Sb2S4-65d9e486a5d3", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 28, "layer_group": "pm2_1b", "space_group_number": 26, "space_group": "Pmc2_1", "equivalent_atoms": "[0 0 2 2 4 4 6 6]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 9003580, "ehull": 0.06286595717242083, "dynamically_stable": "Yes", "gap_pbe": 0.529, "gap_pbe_dir": 0.529, "gap_pbe_nosoc": 0.558, "gap_pbe_dir_nosoc": 0.558, "dipz": 0.0}


unique_id: f7962ab800378a767ca99fcafe77afa5
username: jensj
key_value_pairs:
  {"uid": "Cu2Sb2S4-65d9e486a5d3-2--1_0_0_-1-Iz--0.5_-0.49", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuSbS2/Cu2Sb2S4-65d9e486a5d3/Cu2S4Sb2-2--1_0_0_-1-Iz--0.5_-0.49", "stoichiometry": "ABC2", "monolayer_uid": "Cu2Sb2S4-65d9e486a5d3", "bilayer_uid": "Cu2Sb2S4-65d9e486a5d3-2--1_0_0_-1-Iz--0.5_-0.49", "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 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 9003580, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 90.102379409328, "binding_energy_gs": 43.109415572634866, "distance": 2.1067876673643724}


unique_id: a7cf626ae9812e16c26c2ec519ef07fe
username: jensj
key_value_pairs:
  {"uid": "Cu2Sb2S4-65d9e486a5d3-2--1_0_0_-1-Iz--0.5_-0.52", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuSbS2/Cu2Sb2S4-65d9e486a5d3/Cu2S4Sb2-2--1_0_0_-1-Iz--0.5_-0.52", "stoichiometry": "ABC2", "monolayer_uid": "Cu2Sb2S4-65d9e486a5d3", "bilayer_uid": "Cu2Sb2S4-65d9e486a5d3-2--1_0_0_-1-Iz--0.5_-0.52", "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 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 9003580, "gap_pbe": 0.683, "gap_pbe_dir": 0.729, "gap_pbe_nosoc": 0.711, "gap_pbe_dir_nosoc": 0.756, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 87.401245313145, "binding_energy_gs": 44.116649247813584, "distance": 2.047705673796056}


unique_id: 19bf580acd6fa7548ee672b946198b58
username: jensj
key_value_pairs:
  {"uid": "Cu2Sb2S4-65d9e486a5d3-2-1_0_0_1--0.5_-0.12", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuSbS2/Cu2Sb2S4-65d9e486a5d3/Cu2S4Sb2-2-1_0_0_1--0.5_-0.12", "stoichiometry": "ABC2", "monolayer_uid": "Cu2Sb2S4-65d9e486a5d3", "bilayer_uid": "Cu2Sb2S4-65d9e486a5d3-2-1_0_0_1--0.5_-0.12", "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]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 9003580, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 80.7011692577273, "binding_energy_gs": 33.71588181384024, "distance": 2.290610550377142}


unique_id: b3a24b35b12cc587b8843cf70639cac0
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cu2Sb2Se4-f512ae640c63", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuSbSe2/Cu2Sb2Se4-f512ae640c63", "stoichiometry": "ABC2", "monolayer_uid": "Cu2Sb2Se4-f512ae640c63", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 28, "layer_group": "pm2_1b", "space_group_number": 26, "space_group": "Pmc2_1", "equivalent_atoms": "[0 0 2 2 4 4 6 6]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 628999, "ehull": 0.07242612136804061, "dynamically_stable": "Yes", "gap_pbe": 0.265, "gap_pbe_dir": 0.265, "gap_pbe_nosoc": 0.321, "gap_pbe_dir_nosoc": 0.321, "dipz": -0.0}


unique_id: abd3d2b2c5236281b2b1ac304670decb
username: jensj
key_value_pairs:
  {"uid": "Cu2Sb2Se4-f512ae640c63-2--1_0_0_-1-Iz--0.5_-0.47", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuSbSe2/Cu2Sb2Se4-f512ae640c63/Cu2Sb2Se4-2--1_0_0_-1-Iz--0.5_-0.47", "stoichiometry": "ABC2", "monolayer_uid": "Cu2Sb2Se4-f512ae640c63", "bilayer_uid": "Cu2Sb2Se4-f512ae640c63-2--1_0_0_-1-Iz--0.5_-0.47", "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 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 628999, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 81.23812595253307, "binding_energy_gs": 42.41633124236089, "distance": 2.146817808483963}


unique_id: 6592bf9fcb11348d8c21eba50bf3dc1c
username: jensj
key_value_pairs:
  {"uid": "Cu2Sb2Se4-f512ae640c63-2--1_0_0_-1-Iz--0.5_-0.45", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuSbSe2/Cu2Sb2Se4-f512ae640c63/Cu2Sb2Se4-2--1_0_0_-1-Iz--0.5_-0.45", "stoichiometry": "ABC2", "monolayer_uid": "Cu2Sb2Se4-f512ae640c63", "bilayer_uid": "Cu2Sb2Se4-f512ae640c63-2--1_0_0_-1-Iz--0.5_-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 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 628999, "gap_pbe": 0.349, "gap_pbe_dir": 0.447, "gap_pbe_nosoc": 0.419, "gap_pbe_dir_nosoc": 0.529, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 78.75630965394987, "binding_energy_gs": 42.83835670785488, "distance": 2.1036517872241483}


unique_id: 9135c97cb367dedba974492d4451efd4
username: jensj
key_value_pairs:
  {"uid": "Cu2Sb2Se4-f512ae640c63-2-1_0_0_1--0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuSbSe2/Cu2Sb2Se4-f512ae640c63/Cu2Sb2Se4-2-1_0_0_1--0.5_0", "stoichiometry": "ABC2", "monolayer_uid": "Cu2Sb2Se4-f512ae640c63", "bilayer_uid": "Cu2Sb2Se4-f512ae640c63-2-1_0_0_1--0.5_0", "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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 628999, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 74.41208628635648, "binding_energy_gs": 35.6000802605939, "distance": 2.334312638212186}


unique_id: 81578966ffa3d7b50a040bedb023e125
username: jensj
key_value_pairs:
  {"uid": "Cu2Sb2Se4-f512ae640c63-2-1_0_0_1--0.5_-0.87", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuSbSe2/Cu2Sb2Se4-f512ae640c63/Cu2Sb2Se4-2-1_0_0_1--0.5_-0.87", "stoichiometry": "ABC2", "monolayer_uid": "Cu2Sb2Se4-f512ae640c63", "bilayer_uid": "Cu2Sb2Se4-f512ae640c63-2-1_0_0_1--0.5_-0.87", "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]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 628999, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 74.15890930056156, "binding_energy_gs": 35.41565766137105, "distance": 2.2690970452632477}


unique_id: b056c3037f9e3468096ea2aac62fc91f
username: jensj
key_value_pairs:
  {"uid": "Cu2Sb2Se4-f512ae640c63-2--1_0_0_-1-Iz--0.5_0.4", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/CuSbSe2/Cu2Sb2Se4-f512ae640c63/Cu2Sb2Se4-2--1_0_0_-1-Iz--0.5_0.4", "stoichiometry": "ABC2", "monolayer_uid": "Cu2Sb2Se4-f512ae640c63", "bilayer_uid": "Cu2Sb2Se4-f512ae640c63-2--1_0_0_-1-Iz--0.5_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 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 628999, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 72.60889738956183, "binding_energy_gs": 33.78400425143152, "distance": 2.383224332923863}


unique_id: cc1938fdf7a0c44c8dfb02e555f88e55
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "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]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.09572888760989395, "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: 1b4a5bab8d210f0a952d23d0134c3ccf
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-0.84_0.92", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2--1_0_0_-1-0.84_0.92", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-0.84_0.92", "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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": false, "magnetic": false, "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": 1.884725975287438e-08, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 12.863728366453286, "binding_energy_gs": 13.559311236745389, "distance": 1.7864073535184808}


unique_id: 5bd81f5b8c94dba6a037aa944f242433
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2-1_0_0_1-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2-1_0_0_1-0_0.5", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2-1_0_0_1-0_0.5", "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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 11.089390576151274, "binding_energy_gs": 11.777343076344494, "distance": 1.91314058464733}


unique_id: 1aaebcb04c54b57e4637bc9776948dbf
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2-1_0_0_1-0_0.76", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2-1_0_0_1-0_0.76", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2-1_0_0_1-0_0.76", "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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 10.756331584243146, "binding_energy_gs": 11.453584471604964, "distance": 2.08513568403648}


unique_id: 12d44419b866c51917ff919b74cdf1ef
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2--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": false, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 10.435269362004615, "binding_energy_gs": 11.130109143548012, "distance": 2.094309487047795}


unique_id: 6f3f7ef1720e8dda88ff91336e7a1e6b
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-0.85_0.16", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2--1_0_0_-1-0.85_0.16", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-0.85_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]", "has_inversion_symmetry": false, "magnetic": false, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 10.43190551357229, "binding_energy_gs": 11.125117892668646, "distance": 2.0308214421241146}


unique_id: d29207d0c205bf23ccc84a4786e165ec
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2-1_0_0_1-0_0.24", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2-1_0_0_1-0_0.24", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2-1_0_0_1-0_0.24", "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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 10.242132472371631, "binding_energy_gs": 10.940571414875151, "distance": 1.93124533195145}


unique_id: 32fc57040aa7ce1adacdbf946b341f7f
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2--1_0_0_-1-0.5_0", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2--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": false, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 9.981721769440272, "binding_energy_gs": 10.679050058760602, "distance": 2.1666070469050247}


unique_id: c2fffaf6b49fc60df4f4523365d1dc09
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-0.34_0.92", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2--1_0_0_-1-0.34_0.92", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-0.34_0.92", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 28, "layer_group": "pm2_1b", "space_group_number": 26, "space_group": "Pmc2_1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": false, "magnetic": false, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 9.88686594343222, "binding_energy_gs": 10.585836398481218, "distance": 2.1937641678612074}


unique_id: e9e42107b67ca033eeba61e4832f4f10
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2-1_0_0_1-0.5_0.51", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2-1_0_0_1-0.5_0.51", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2-1_0_0_1-0.5_0.51", "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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 8.847765925580365, "binding_energy_gs": 9.542399972660295, "distance": 2.284287904381813}


unique_id: 89c3fdd23cc99b045327a3abab1189c6
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2-1_0_0_1-0_0", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2-1_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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 8.139636463856162, "binding_energy_gs": 8.837699722160433, "distance": 2.3929163882065403}


unique_id: 8b67ab31376f9be0e2c708165a8e2085
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2-1_0_0_1-0.5_0.75", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2-1_0_0_1-0.5_0.75", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2-1_0_0_1-0.5_0.75", "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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 7.894376664100444, "binding_energy_gs": 8.591945712361559, "distance": 2.5468067402915686}


unique_id: fbe88c23a1f41e7480a66491bf8314cb
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2-1_0_0_1--0.5_0.25", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2-1_0_0_1--0.5_0.25", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2-1_0_0_1--0.5_0.25", "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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 7.6362098216250045, "binding_energy_gs": 8.334626057272116, "distance": 2.429125882814784}


unique_id: fe6558ff6b0910d0c023466a1b6eeb1b
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-0.85_0.41", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2--1_0_0_-1-0.85_0.41", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-0.85_0.41", "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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 7.614611852436683, "binding_energy_gs": 8.31448713486671, "distance": 2.438178256466845}


unique_id: 538e8052ef112ba18d7558557db943a8
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-0.34_0.17", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2--1_0_0_-1-0.34_0.17", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-0.34_0.17", "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]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 7.541626372277893, "binding_energy_gs": 8.23764697207773, "distance": 2.5287019929874504}


unique_id: 4fa8f1bb306a87d20d5500b7c4d95f72
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-Iz-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2--1_0_0_-1-Iz-0.5_0.5", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-Iz-0.5_0.5", "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": 7.43333847541332, "binding_energy_gs": 8.134276484081282, "distance": 2.4926139277384607}


unique_id: c44e7e2d3aca40f2b271a008a5b950c0
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2--1_0_0_-1-0_0.5", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-0_0.5", "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": 7.211655605559453, "binding_energy_gs": 7.911110457822914, "distance": 2.5287019929874504}


unique_id: 9378fa6f1b45fbdb4154b753c3b6be57
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-Iz-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2--1_0_0_-1-Iz-0_0.5", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-Iz-0_0.5", "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": 6.450069925324234, "binding_energy_gs": 7.15099225933076, "distance": 2.7008185217358545}


unique_id: 54e232f6934f6c9e433b843ab573018f
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2--1_0_0_-1-0.5_0.5", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-0.5_0.5", "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": 6.2232950873180215, "binding_energy_gs": 6.922734419936407, "distance": 2.755011334288966}


unique_id: 872aa2ac52f5ccc881defe51238870a6
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2-1_0_0_1-0.5_0", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2-1_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 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 6.071764649057112, "binding_energy_gs": 6.771435491303316, "distance": 2.8183779498533887}


unique_id: b8349d56f27ccbff4e95ef44b041df6d
username: jensj
key_value_pairs:
  {"uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-0.35_0.41", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/FNiS2/F2Ni2S4-81a9cf3a07f5/F2Ni2S4-2--1_0_0_-1-0.35_0.41", "stoichiometry": "ABC2", "monolayer_uid": "F2Ni2S4-81a9cf3a07f5", "bilayer_uid": "F2Ni2S4-81a9cf3a07f5-2--1_0_0_-1-0.35_0.41", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 27, "layer_group": "pm2m", "space_group_number": 25, "space_group": "Pmm2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 5.770130643252122, "binding_energy_gs": 6.470171762548487, "distance": 2.8545874444616324}


unique_id: 453f880b60df93b90ee8a23bc82eb064
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "H2Ni2O4-84de1dd2c542", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/HNiO2/H2Ni2O4-84de1dd2c542", "stoichiometry": "ABC2", "monolayer_uid": "H2Ni2O4-84de1dd2c542", "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]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.0, "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: c0334bfd79f4a162306d7dbcff722c26
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "H2Ni2O4-84de1dd2c542-2--1_0_0_-1--0.49_-0.9", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/HNiO2/H2Ni2O4-84de1dd2c542/H2Ni2O4-2--1_0_0_-1--0.49_-0.9", "stoichiometry": "ABC2", "monolayer_uid": "H2Ni2O4-84de1dd2c542", "bilayer_uid": "H2Ni2O4-84de1dd2c542-2--1_0_0_-1--0.49_-0.9", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 28, "layer_group": "pm2_1b", "space_group_number": 26, "space_group": "Pmc2_1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 1 0 3 2 5 4 7 6]", "has_inversion_symmetry": false, "magnetic": false, "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": 5.259278026414904e-07, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 59.353320028163246, "binding_energy_gs": 59.445165214429046, "distance": 0.8102973530563844}


unique_id: 21dbf4ac4835aedb183d74c38e960c79
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "OVBr2-ef0b35c66aad", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVBr2/OVBr2-ef0b35c66aad", "stoichiometry": "ABC2", "monolayer_uid": "OVBr2-ef0b35c66aad", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 27, "layer_group": "pm2m", "space_group_number": 25, "space_group": "Pmm2", "equivalent_atoms": "[0 1 2 2]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 24381, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 1.738, "gap_pbe_dir": 1.738, "gap_pbe_nosoc": 1.766, "gap_pbe_dir_nosoc": 1.766, "dipz": 0.0}


unique_id: 4764e8c0db847590acca7e4e1780f537
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "OVBr2-ef0b35c66aad-2-1_0_0_1-0.5_0.49", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVBr2/OVBr2-ef0b35c66aad/Br2OV-2-1_0_0_1-0.5_0.49", "stoichiometry": "ABC2", "monolayer_uid": "OVBr2-ef0b35c66aad", "bilayer_uid": "OVBr2-ef0b35c66aad-2-1_0_0_1-0.5_0.49", "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 0 1 3 2]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 24381, "gap_pbe": 1.748, "gap_pbe_dir": 1.748, "gap_pbe_nosoc": 1.778, "gap_pbe_dir_nosoc": 1.778, "dipz": -0.0, "interlayer_magnetic_exchange": -0.0003454107101106274, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 458.636702320129, "binding_energy_gs": 14.328041704913653, "distance": 2.867000000000001}


unique_id: d3902c9e2a228d3b9e69debf7e20f2b9
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "OVBr2-ef0b35c66aad-2--1_0_0_-1-Iz-0.5_-0.49", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVBr2/OVBr2-ef0b35c66aad/Br2OV-2--1_0_0_-1-Iz-0.5_-0.49", "stoichiometry": "ABC2", "monolayer_uid": "OVBr2-ef0b35c66aad", "bilayer_uid": "OVBr2-ef0b35c66aad-2--1_0_0_-1-Iz-0.5_-0.49", "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 0 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 24381, "gap_pbe": 1.756, "gap_pbe_dir": 1.756, "gap_pbe_nosoc": 1.783, "gap_pbe_dir_nosoc": 1.783, "dipz": -0.0, "interlayer_magnetic_exchange": 0.0001708285755270822, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 458.56668289532416, "binding_energy_gs": 14.257930770407857, "distance": 2.866999999999983}


unique_id: cd16afa5039975d7748507f5c7474b5a
username: jensj
key_value_pairs:
  {"uid": "OVBr2-ef0b35c66aad-2--1_0_0_-1-Iz-0.5_-1.06", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVBr2/OVBr2-ef0b35c66aad/Br2OV-2--1_0_0_-1-Iz-0.5_-1.06", "stoichiometry": "ABC2", "monolayer_uid": "OVBr2-ef0b35c66aad", "bilayer_uid": "OVBr2-ef0b35c66aad-2--1_0_0_-1-Iz-0.5_-1.06", "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 0 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 24381, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 455.41180723003373, "binding_energy_gs": 11.10300419973187, "distance": 3.321249999999985}


unique_id: 65f3d9330c0ee18ef79b083675279540
username: jensj
key_value_pairs:
  {"uid": "OVBr2-ef0b35c66aad-2-1_0_0_1-0.5_-0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVBr2/OVBr2-ef0b35c66aad/Br2OV-2-1_0_0_1-0.5_-0.08", "stoichiometry": "ABC2", "monolayer_uid": "OVBr2-ef0b35c66aad", "bilayer_uid": "OVBr2-ef0b35c66aad-2-1_0_0_1-0.5_-0.08", "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]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 24381, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 455.3827227359501, "binding_energy_gs": 11.074630731204389, "distance": 3.321249999999999}


unique_id: 647b8240a64eb9ba68e0c5b980f5d5bc
username: jensj
key_value_pairs:
  {"uid": "OVBr2-ef0b35c66aad-2-1_0_0_1-0_-0.57", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVBr2/OVBr2-ef0b35c66aad/Br2OV-2-1_0_0_1-0_-0.57", "stoichiometry": "ABC2", "monolayer_uid": "OVBr2-ef0b35c66aad", "bilayer_uid": "OVBr2-ef0b35c66aad-2-1_0_0_1-0_-0.57", "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]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 24381, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 454.8586978017672, "binding_energy_gs": 10.55126628917804, "distance": 3.390374999999999}


unique_id: b260908f1021ca7cb4bfe6318a10b26c
username: jensj
key_value_pairs:
  {"uid": "OVBr2-ef0b35c66aad-2--1_0_0_-1-Iz-0_-0.57", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVBr2/OVBr2-ef0b35c66aad/Br2OV-2--1_0_0_-1-Iz-0_-0.57", "stoichiometry": "ABC2", "monolayer_uid": "OVBr2-ef0b35c66aad", "bilayer_uid": "OVBr2-ef0b35c66aad-2--1_0_0_-1-Iz-0_-0.57", "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 0 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 24381, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 454.73809186607605, "binding_energy_gs": 10.42944876433242, "distance": 3.4199999999999804}


unique_id: ebc38add2fe34a7010051d4756771c36
username: jensj
key_value_pairs:
  {"uid": "OVBr2-ef0b35c66aad-2--1_0_0_-1-Iz-0_-0.14", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVBr2/OVBr2-ef0b35c66aad/Br2OV-2--1_0_0_-1-Iz-0_-0.14", "stoichiometry": "ABC2", "monolayer_uid": "OVBr2-ef0b35c66aad", "bilayer_uid": "OVBr2-ef0b35c66aad-2--1_0_0_-1-Iz-0_-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 0 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 24381, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 453.12984735056904, "binding_energy_gs": 8.821847900675227, "distance": 3.716249999999981}


unique_id: aeb8eb2cba0a21dbf1a67e0f00feffa0
username: jensj
key_value_pairs:
  {"uid": "OVBr2-ef0b35c66aad-2-1_0_0_1-0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVBr2/OVBr2-ef0b35c66aad/Br2OV-2-1_0_0_1-0_-1.0", "stoichiometry": "ABC2", "monolayer_uid": "OVBr2-ef0b35c66aad", "bilayer_uid": "OVBr2-ef0b35c66aad-2-1_0_0_1-0_-1.0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 27, "layer_group": "pm2m", "space_group_number": 25, "space_group": "Pmm2", "equivalent_atoms": "[0 1 2 3 0 1 3 2]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 24381, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 452.8411187541907, "binding_energy_gs": 8.532477128633634, "distance": 3.765625}


unique_id: 659d982781df8a54ff88ba46b47fee74
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "OVCl2-b1290cfe5f43", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVCl2/OVCl2-b1290cfe5f43", "stoichiometry": "ABC2", "monolayer_uid": "OVCl2-b1290cfe5f43", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 27, "layer_group": "pm2m", "space_group_number": 25, "space_group": "Pmm2", "equivalent_atoms": "[0 1 2 2]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 24380, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 2.664, "gap_pbe_dir": 2.706, "gap_pbe_nosoc": 2.666, "gap_pbe_dir_nosoc": 2.709, "dipz": -0.0}


unique_id: 712eb91b9ee04819f8d86079583fbc04
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "OVCl2-b1290cfe5f43-2-1_0_0_1-0.5_0.49", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVCl2/OVCl2-b1290cfe5f43/Cl2OV-2-1_0_0_1-0.5_0.49", "stoichiometry": "ABC2", "monolayer_uid": "OVCl2-b1290cfe5f43", "bilayer_uid": "OVCl2-b1290cfe5f43-2-1_0_0_1-0.5_0.49", "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 0 1 3 2]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 24380, "gap_pbe": 2.594, "gap_pbe_dir": 2.717, "gap_pbe_nosoc": 2.596, "gap_pbe_dir_nosoc": 2.722, "dipz": -0.0, "interlayer_magnetic_exchange": -6.449439926825562e-05, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 476.2086148039575, "binding_energy_gs": 12.625402287508537, "distance": 2.689250000000005}


unique_id: bb8c363abd1a959260c7acb1118ec1bb
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "OVCl2-b1290cfe5f43-2--1_0_0_-1-Iz-0.5_-0.49", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVCl2/OVCl2-b1290cfe5f43/Cl2OV-2--1_0_0_-1-Iz-0.5_-0.49", "stoichiometry": "ABC2", "monolayer_uid": "OVCl2-b1290cfe5f43", "bilayer_uid": "OVCl2-b1290cfe5f43-2--1_0_0_-1-Iz-0.5_-0.49", "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 0 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 24380, "gap_pbe": 2.573, "gap_pbe_dir": 2.714, "gap_pbe_nosoc": 2.575, "gap_pbe_dir_nosoc": 2.717, "dipz": -0.0, "interlayer_magnetic_exchange": -3.6640151080291616e-05, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 476.17161732880385, "binding_energy_gs": 12.588668747112761, "distance": 2.689250000000019}


unique_id: 86461a6b160798840d28bde0f31a9e57
username: jensj
key_value_pairs:
  {"uid": "OVCl2-b1290cfe5f43-2--1_0_0_-1-Iz-0.5_-1.06", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVCl2/OVCl2-b1290cfe5f43/Cl2OV-2--1_0_0_-1-Iz-0.5_-1.06", "stoichiometry": "ABC2", "monolayer_uid": "OVCl2-b1290cfe5f43", "bilayer_uid": "OVCl2-b1290cfe5f43-2--1_0_0_-1-Iz-0.5_-1.06", "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 0 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 24380, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 473.1531639387025, "binding_energy_gs": 9.569942028480614, "distance": 3.183000000000014}


unique_id: a9676bae7eb92fe8794c371bc9eb7aab
username: jensj
key_value_pairs:
  {"uid": "OVCl2-b1290cfe5f43-2-1_0_0_1-0.5_-0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVCl2/OVCl2-b1290cfe5f43/Cl2OV-2-1_0_0_1-0.5_-0.08", "stoichiometry": "ABC2", "monolayer_uid": "OVCl2-b1290cfe5f43", "bilayer_uid": "OVCl2-b1290cfe5f43-2-1_0_0_1-0.5_-0.08", "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]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 24380, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 473.1505206999838, "binding_energy_gs": 9.56733551518447, "distance": 3.183}


unique_id: eddb8a8edd779e7f74e2cd005d42c8dc
username: jensj
key_value_pairs:
  {"uid": "OVCl2-b1290cfe5f43-2-1_0_0_1-0_-0.57", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVCl2/OVCl2-b1290cfe5f43/Cl2OV-2-1_0_0_1-0_-0.57", "stoichiometry": "ABC2", "monolayer_uid": "OVCl2-b1290cfe5f43", "bilayer_uid": "OVCl2-b1290cfe5f43-2-1_0_0_1-0_-0.57", "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]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 24380, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 473.0135203180282, "binding_energy_gs": 9.430314433119483, "distance": 3.183}


unique_id: c0abfd3a6e921553b6a2686ea3ab3a60
username: jensj
key_value_pairs:
  {"uid": "OVCl2-b1290cfe5f43-2--1_0_0_-1-Iz-0_-0.57", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVCl2/OVCl2-b1290cfe5f43/Cl2OV-2--1_0_0_-1-Iz-0_-0.57", "stoichiometry": "ABC2", "monolayer_uid": "OVCl2-b1290cfe5f43", "bilayer_uid": "OVCl2-b1290cfe5f43-2--1_0_0_-1-Iz-0_-0.57", "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 0 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 24380, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 472.9611309619024, "binding_energy_gs": 9.377949316517743, "distance": 3.192875000000022}


unique_id: 5913c791a8a51afeb85ce433bad5a365
username: jensj
key_value_pairs:
  {"uid": "OVCl2-b1290cfe5f43-2--1_0_0_-1-Iz-0_-0.14", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVCl2/OVCl2-b1290cfe5f43/Cl2OV-2--1_0_0_-1-Iz-0_-0.14", "stoichiometry": "ABC2", "monolayer_uid": "OVCl2-b1290cfe5f43", "bilayer_uid": "OVCl2-b1290cfe5f43-2--1_0_0_-1-Iz-0_-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 0 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 24380, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 471.33945495610897, "binding_energy_gs": 7.756277345057097, "distance": 3.508875000000021}


unique_id: 163b2bd4e3f5d47491f0c480c7f24e17
username: jensj
key_value_pairs:
  {"uid": "OVCl2-b1290cfe5f43-2-1_0_0_1-0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVCl2/OVCl2-b1290cfe5f43/Cl2OV-2-1_0_0_1-0_-1.0", "stoichiometry": "ABC2", "monolayer_uid": "OVCl2-b1290cfe5f43", "bilayer_uid": "OVCl2-b1290cfe5f43-2-1_0_0_1-0_-1.0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 27, "layer_group": "pm2m", "space_group_number": 25, "space_group": "Pmm2", "equivalent_atoms": "[0 1 2 3 0 1 3 2]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 24380, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 471.0358504233194, "binding_energy_gs": 7.458032350303155, "distance": 3.5780000000000065}


unique_id: adc23b00b46b26b9b12c76db06787672
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "OVF2-eca6e6e9c239", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVF2/OVF2-eca6e6e9c239", "stoichiometry": "ABC2", "monolayer_uid": "OVF2-eca6e6e9c239", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 27, "layer_group": "pm2m", "space_group_number": 25, "space_group": "Pmm2", "equivalent_atoms": "[0 1 2 2]", "has_inversion_symmetry": false, "magnetic": true, "ehull": 0.0010452417282200699, "dynamically_stable": "Yes", "gap_pbe": 3.509, "gap_pbe_dir": 3.614, "gap_pbe_nosoc": 3.511, "gap_pbe_dir_nosoc": 3.619, "dipz": -0.0}


unique_id: 9423444aa651f4021ecc9dde769c5708
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "OVF2-eca6e6e9c239-2-1_0_0_1-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVF2/OVF2-eca6e6e9c239/F2OV-2-1_0_0_1-0.5_0.5", "stoichiometry": "ABC2", "monolayer_uid": "OVF2-eca6e6e9c239", "bilayer_uid": "OVF2-eca6e6e9c239-2-1_0_0_1-0.5_0.5", "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 0 1 3 2]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 3.503, "gap_pbe_dir": 3.612, "gap_pbe_nosoc": 3.507, "gap_pbe_dir_nosoc": 3.619, "dipz": -0.0, "interlayer_magnetic_exchange": 0.00011660770125132558, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 521.0237327114745, "binding_energy_gs": 15.930419334192782, "distance": 1.9190000000000111}


unique_id: 5199e41859e15bc1c0c3da70ec04fbdb
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "OVF2-eca6e6e9c239-2--1_0_0_-1-Iz-0.5_-0.49", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVF2/OVF2-eca6e6e9c239/F2OV-2--1_0_0_-1-Iz-0.5_-0.49", "stoichiometry": "ABC2", "monolayer_uid": "OVF2-eca6e6e9c239", "bilayer_uid": "OVF2-eca6e6e9c239-2--1_0_0_-1-Iz-0.5_-0.49", "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 0 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 3.507, "gap_pbe_dir": 3.615, "gap_pbe_nosoc": 3.509, "gap_pbe_dir_nosoc": 3.62, "dipz": -0.0, "interlayer_magnetic_exchange": 0.00015423514647494585, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 520.9511595925636, "binding_energy_gs": 15.858362112884453, "distance": 1.919000000000075}


unique_id: 6ea54d48982f8904b4261f0b43f76a87
username: jensj
key_value_pairs:
  {"uid": "OVF2-eca6e6e9c239-2-1_0_0_1-0_-0.57", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVF2/OVF2-eca6e6e9c239/F2OV-2-1_0_0_1-0_-0.57", "stoichiometry": "ABC2", "monolayer_uid": "OVF2-eca6e6e9c239", "bilayer_uid": "OVF2-eca6e6e9c239-2-1_0_0_1-0_-0.57", "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]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 516.2037750077624, "binding_energy_gs": 11.111547731293742, "distance": 2.314000000000007}


unique_id: d4cf8a5cf81a8947d989e42d47f0e44d
username: jensj
key_value_pairs:
  {"uid": "OVF2-eca6e6e9c239-2--1_0_0_-1-Iz-0_-0.56", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVF2/OVF2-eca6e6e9c239/F2OV-2--1_0_0_-1-Iz-0_-0.56", "stoichiometry": "ABC2", "monolayer_uid": "OVF2-eca6e6e9c239", "bilayer_uid": "OVF2-eca6e6e9c239-2--1_0_0_-1-Iz-0_-0.56", "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 0 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 516.1972657486939, "binding_energy_gs": 11.10499820210333, "distance": 2.314000000000071}


unique_id: 54f57a21ec1e40328d25cc8ca19b03ec
username: jensj
key_value_pairs:
  {"uid": "OVF2-eca6e6e9c239-2--1_0_0_-1-Iz-0.5_-1.06", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVF2/OVF2-eca6e6e9c239/F2OV-2--1_0_0_-1-Iz-0.5_-1.06", "stoichiometry": "ABC2", "monolayer_uid": "OVF2-eca6e6e9c239", "bilayer_uid": "OVF2-eca6e6e9c239-2--1_0_0_-1-Iz-0.5_-1.06", "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 0 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 515.8390580459753, "binding_energy_gs": 10.746740211193455, "distance": 2.442375000000073}


unique_id: 62f26f009bbdc4f27a1f7bdfe3fc6a4a
username: jensj
key_value_pairs:
  {"uid": "OVF2-eca6e6e9c239-2-1_0_0_1-0.5_-0.07", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVF2/OVF2-eca6e6e9c239/F2OV-2-1_0_0_1-0.5_-0.07", "stoichiometry": "ABC2", "monolayer_uid": "OVF2-eca6e6e9c239", "bilayer_uid": "OVF2-eca6e6e9c239-2-1_0_0_1-0.5_-0.07", "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]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 515.7705612353066, "binding_energy_gs": 10.678206187528104, "distance": 2.442375000000009}


unique_id: 10283822866ed9024ad64612be972530
username: jensj
key_value_pairs:
  {"uid": "OVF2-eca6e6e9c239-2--1_0_0_-1-Iz-0_-0.13", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVF2/OVF2-eca6e6e9c239/F2OV-2--1_0_0_-1-Iz-0_-0.13", "stoichiometry": "ABC2", "monolayer_uid": "OVF2-eca6e6e9c239", "bilayer_uid": "OVF2-eca6e6e9c239-2--1_0_0_-1-Iz-0_-0.13", "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 0 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 512.8592546452584, "binding_energy_gs": 7.765935913154389, "distance": 2.8176250000000707}


unique_id: 44dd155c370fddec10c41fe4e8f15ce0
username: jensj
key_value_pairs:
  {"uid": "OVF2-eca6e6e9c239-2-1_0_0_1-0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVF2/OVF2-eca6e6e9c239/F2OV-2-1_0_0_1-0_-1.0", "stoichiometry": "ABC2", "monolayer_uid": "OVF2-eca6e6e9c239", "bilayer_uid": "OVF2-eca6e6e9c239-2-1_0_0_1-0_-1.0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 27, "layer_group": "pm2m", "space_group_number": 25, "space_group": "Pmm2", "equivalent_atoms": "[0 1 2 3 0 1 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 512.4874617054988, "binding_energy_gs": 7.395064764177696, "distance": 2.8867500000000064}


unique_id: 9deae22fcf5445cc039af658f4b0a539
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "OVI2-3d18780fb0f3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVI2/OVI2-3d18780fb0f3", "stoichiometry": "ABC2", "monolayer_uid": "OVI2-3d18780fb0f3", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 27, "layer_group": "pm2m", "space_group_number": 25, "space_group": "Pmm2", "equivalent_atoms": "[0 1 2 2]", "has_inversion_symmetry": false, "magnetic": true, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 0.569, "gap_pbe_dir": 0.569, "gap_pbe_nosoc": 0.644, "gap_pbe_dir_nosoc": 0.644, "dipz": -0.0}


unique_id: 7097f95931e1d2881c7c81a04b45c0b5
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "OVI2-3d18780fb0f3-2-1_0_0_1-0.5_0.49", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVI2/OVI2-3d18780fb0f3/I2OV-2-1_0_0_1-0.5_0.49", "stoichiometry": "ABC2", "monolayer_uid": "OVI2-3d18780fb0f3", "bilayer_uid": "OVI2-3d18780fb0f3-2-1_0_0_1-0.5_0.49", "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 0 1 3 2]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.586, "gap_pbe_dir": 0.586, "gap_pbe_nosoc": 0.674, "gap_pbe_dir_nosoc": 0.674, "dipz": -0.0, "interlayer_magnetic_exchange": 0.00019399478654946734, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 430.62311694384107, "binding_energy_gs": 15.762437152665173, "distance": 3.183}


unique_id: e6febca97cc603cda390ac90edb5c968
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "OVI2-3d18780fb0f3-2--1_0_0_-1-Iz-0.5_-0.49", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVI2/OVI2-3d18780fb0f3/I2OV-2--1_0_0_-1-Iz-0.5_-0.49", "stoichiometry": "ABC2", "monolayer_uid": "OVI2-3d18780fb0f3", "bilayer_uid": "OVI2-3d18780fb0f3-2--1_0_0_-1-Iz-0.5_-0.49", "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 0 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.601, "gap_pbe_dir": 0.601, "gap_pbe_nosoc": 0.674, "gap_pbe_dir_nosoc": 0.674, "dipz": -0.0, "interlayer_magnetic_exchange": 0.00037091545345191435, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 430.53885234188164, "binding_energy_gs": 15.677572057377533, "distance": 3.183000000000014}


unique_id: cff56a9bc5536e563e6f09c7e5f978e6
username: jensj
key_value_pairs:
  {"uid": "OVI2-3d18780fb0f3-2--1_0_0_-1-Iz-0.5_-1.06", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVI2/OVI2-3d18780fb0f3/I2OV-2--1_0_0_-1-Iz-0.5_-1.06", "stoichiometry": "ABC2", "monolayer_uid": "OVI2-3d18780fb0f3", "bilayer_uid": "OVI2-3d18780fb0f3-2--1_0_0_-1-Iz-0.5_-1.06", "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 0 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 427.29755888958005, "binding_energy_gs": 12.436119419164182, "distance": 3.5977500000000084}


unique_id: 7d6736f1ca77fb139e868292f104bb42
username: jensj
key_value_pairs:
  {"uid": "OVI2-3d18780fb0f3-2-1_0_0_1-0.5_-0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVI2/OVI2-3d18780fb0f3/I2OV-2-1_0_0_1-0.5_-0.08", "stoichiometry": "ABC2", "monolayer_uid": "OVI2-3d18780fb0f3", "bilayer_uid": "OVI2-3d18780fb0f3-2-1_0_0_1-0.5_-0.08", "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]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 427.26634915838974, "binding_energy_gs": 12.405018259458462, "distance": 3.607624999999995}


unique_id: 5cd4cde83c57c24f6d8ad6f5f126cf6d
username: jensj
key_value_pairs:
  {"uid": "OVI2-3d18780fb0f3-2-1_0_0_1-0_-0.57", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVI2/OVI2-3d18780fb0f3/I2OV-2-1_0_0_1-0_-0.57", "stoichiometry": "ABC2", "monolayer_uid": "OVI2-3d18780fb0f3", "bilayer_uid": "OVI2-3d18780fb0f3-2-1_0_0_1-0_-0.57", "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]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 426.13707758014164, "binding_energy_gs": 11.275656374242295, "distance": 3.7754999999999974}


unique_id: 974b3e847a5f1440f4a76e1a6e1495d0
username: jensj
key_value_pairs:
  {"uid": "OVI2-3d18780fb0f3-2--1_0_0_-1-Iz-0_-0.57", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVI2/OVI2-3d18780fb0f3/I2OV-2--1_0_0_-1-Iz-0_-0.57", "stoichiometry": "ABC2", "monolayer_uid": "OVI2-3d18780fb0f3", "bilayer_uid": "OVI2-3d18780fb0f3-2--1_0_0_-1-Iz-0_-0.57", "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 0 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 426.04880699549767, "binding_energy_gs": 11.187216330086674, "distance": 3.7755000000000116}


unique_id: 1822be68e7a8ba898f0de10fd3ce148f
username: jensj
key_value_pairs:
  {"uid": "OVI2-3d18780fb0f3-2--1_0_0_-1-Iz-0_-0.14", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVI2/OVI2-3d18780fb0f3/I2OV-2--1_0_0_-1-Iz-0_-0.14", "stoichiometry": "ABC2", "monolayer_uid": "OVI2-3d18780fb0f3", "bilayer_uid": "OVI2-3d18780fb0f3-2--1_0_0_-1-Iz-0_-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 0 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 424.4272135116493, "binding_energy_gs": 9.564401193914618, "distance": 4.061875000000011}


unique_id: c9f9fda1d061349042de22dcd07b4650
username: jensj
key_value_pairs:
  {"uid": "OVI2-3d18780fb0f3-2-1_0_0_1-0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2/OVI2/OVI2-3d18780fb0f3/I2OV-2-1_0_0_1-0_-1.0", "stoichiometry": "ABC2", "monolayer_uid": "OVI2-3d18780fb0f3", "bilayer_uid": "OVI2-3d18780fb0f3-2-1_0_0_1-0_-1.0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 27, "layer_group": "pm2m", "space_group_number": 25, "space_group": "Pmm2", "equivalent_atoms": "[0 1 2 3 0 1 3 2]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 424.1651790603521, "binding_energy_gs": 9.303703328889062, "distance": 4.091499999999996}


unique_id: e67c3eef03a5534bddd63b8d1cd2b0b7
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "number_of_layers": 1, "nspecies": 4, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[0 1 1 1 4 4 4 7 8 9]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 4327327, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 1.101, "gap_pbe_dir": 1.146, "gap_pbe_nosoc": 1.417, "gap_pbe_dir_nosoc": 1.521, "dipz": 0.03}


unique_id: 3fa4c1c0c6feb25d06a287c6e6c081b1
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-Iz-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2--1_0_0_-1-Iz-0_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-Iz-0_0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 1 1 4 4 4 7 8 9 0 1 1 1 4 4 4 7 8 9]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 4327327, "gap_pbe": 0.977, "gap_pbe_dir": 1.071, "gap_pbe_nosoc": 1.285, "gap_pbe_dir_nosoc": 1.445, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 19.1489895739092, "binding_energy_gs": 19.142137710394756, "distance": 3.0196428209916633}


unique_id: 991c65117adcbecfa2741309334f3cf3
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2-1_0_0_1-0.67_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2-1_0_0_1-0.67_-0.67", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2-1_0_0_1-0.67_-0.67", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  1  1  4  4  4  7  8  9 10 11 11 11 14 14 14 17 18 19]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 4327327, "gap_pbe": 0.931, "gap_pbe_dir": 0.978, "gap_pbe_nosoc": 1.257, "gap_pbe_dir_nosoc": 1.34, "dipz": 0.062, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 18.56066997428528, "binding_energy_gs": 18.55375438465044, "distance": 3.074543432908367}


unique_id: d9597b43503b80cb566efc3768ea7694
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-Iz-0.99_-0.36", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2--1_0_0_-1-Iz-0.99_-0.36", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-Iz-0.99_-0.36", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327327, "gap_pbe": 0.996, "gap_pbe_dir": 1.061, "gap_pbe_nosoc": 1.268, "gap_pbe_dir_nosoc": 1.372, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 17.37541916630375, "binding_energy_gs": 17.368784420311936, "distance": 3.2330467217983703}


unique_id: bc4cdd46c04f61ec1388a1410c2c8d84
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-Iz-0.99_-0.37", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2--1_0_0_-1-Iz-0.99_-0.37", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-Iz-0.99_-0.37", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327327, "gap_pbe": 0.995, "gap_pbe_dir": 1.061, "gap_pbe_nosoc": 1.268, "gap_pbe_dir_nosoc": 1.373, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.367938994556646, "binding_energy_gs": 17.36130875318887, "distance": 3.231294286629815}


unique_id: fc548275e594ed893159e2edd5249d42
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-Iz-0.97_-0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2--1_0_0_-1-Iz-0.97_-0.34", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-Iz-0.97_-0.34", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327327, "gap_pbe": 0.994, "gap_pbe_dir": 1.059, "gap_pbe_nosoc": 1.279, "gap_pbe_dir_nosoc": 1.373, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.206588007948866, "binding_energy_gs": 17.199926795083854, "distance": 3.241036781667706}


unique_id: 62e05183cc5ee053779be8e6cb9d1b9e
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-0.65_-0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2--1_0_0_-1-0.65_-0.34", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-0.65_-0.34", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327327, "gap_pbe": 0.921, "gap_pbe_dir": 0.993, "gap_pbe_nosoc": 1.248, "gap_pbe_dir_nosoc": 1.362, "dipz": 0.061, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 17.18811488800871, "binding_energy_gs": 17.181245201039584, "distance": 3.2313970956773623}


unique_id: 2d2eebedd55ef382472453ae80037702
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-0.66_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2--1_0_0_-1-0.66_-0.33", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-0.66_-0.33", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327327, "gap_pbe": 0.92, "gap_pbe_dir": 0.994, "gap_pbe_nosoc": 1.248, "gap_pbe_dir_nosoc": 1.362, "dipz": 0.061, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.18076300031385, "binding_energy_gs": 17.17388366916697, "distance": 3.228131397212028}


unique_id: 7df7ca08756ea89067d687658f52314a
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-0.62_-0.37", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2--1_0_0_-1-0.62_-0.37", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-0.62_-0.37", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327327, "gap_pbe": 0.923, "gap_pbe_dir": 0.991, "gap_pbe_nosoc": 1.247, "gap_pbe_dir_nosoc": 1.362, "dipz": 0.061, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.116030754506465, "binding_energy_gs": 17.1093019336425, "distance": 3.235557222490943}


unique_id: 9c554524d5bee73dbee1a5fb42c208e8
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-1.01_-0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2--1_0_0_-1-1.01_-0.35", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-1.01_-0.35", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327327, "gap_pbe": 0.917, "gap_pbe_dir": 0.998, "gap_pbe_nosoc": 1.241, "gap_pbe_dir_nosoc": 1.336, "dipz": 0.056, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 16.962371359945536, "binding_energy_gs": 16.955630186001574, "distance": 3.248975038289487}


unique_id: 4343debb55a744838ad984cccb7a1e91
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2-1_0_0_1-Iz-0.38_-0.63", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2-1_0_0_1-Iz-0.38_-0.63", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2-1_0_0_1-Iz-0.38_-0.63", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327327, "gap_pbe": 0.949, "gap_pbe_dir": 1.026, "gap_pbe_nosoc": 1.232, "gap_pbe_dir_nosoc": 1.342, "dipz": -0.004, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 16.870402576606526, "binding_energy_gs": 16.863822165927136, "distance": 3.2544545974662533}


unique_id: 160494f118fa3bb9bcb5d91138e9de5d
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-0.97_-0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2--1_0_0_-1-0.97_-0.34", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-0.97_-0.34", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327327, "gap_pbe": 0.915, "gap_pbe_dir": 1.003, "gap_pbe_nosoc": 1.242, "gap_pbe_dir_nosoc": 1.339, "dipz": 0.055, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 16.67074380158118, "binding_energy_gs": 16.664016237274854, "distance": 3.269101761987315}


unique_id: 2faaff13c83caac75eab25888dc54375
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2-1_0_0_1-0.38_-0.63", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2-1_0_0_1-0.38_-0.63", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2-1_0_0_1-0.38_-0.63", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327327, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 16.649372568363713, "binding_energy_gs": 16.64259141995633, "distance": 3.2892284856851326}


unique_id: 548a93b4e62832d3ef892491a893f8b5
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-Iz-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2--1_0_0_-1-Iz-0.33_-0.33", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-Iz-0.33_-0.33", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 1 1 4 4 4 7 8 9 0 1 1 1 4 4 4 7 8 9]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 4327327, "gap_pbe": 1.011, "gap_pbe_dir": 1.054, "gap_pbe_nosoc": 1.201, "gap_pbe_dir_nosoc": 1.311, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 16.520397572965138, "binding_energy_gs": 16.513938853419486, "distance": 3.267872413264797}


unique_id: f5220c891d338d5cd1da33137cf7e55f
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-Iz-0.67_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2--1_0_0_-1-Iz-0.67_-0.67", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-Iz-0.67_-0.67", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 1 1 4 4 4 7 8 9 0 1 1 1 4 4 4 7 8 9]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 4327327, "gap_pbe": 0.916, "gap_pbe_dir": 0.975, "gap_pbe_nosoc": 1.21, "gap_pbe_dir_nosoc": 1.333, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 16.318292202858387, "binding_energy_gs": 16.309545412856718, "distance": 3.281290229063348}


unique_id: f976cc8c94146f786d28e481c090b952
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2-1_0_0_1-1.0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2-1_0_0_1-1.0_-1.0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2-1_0_0_1-1.0_-1.0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  1  1  4  4  4  7  8  9 10 11 11 11 14 14 14 17 18 19]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 4327327, "gap_pbe": 0.843, "gap_pbe_dir": 0.877, "gap_pbe_nosoc": 1.165, "gap_pbe_dir_nosoc": 1.263, "dipz": 0.065, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 16.217899646953754, "binding_energy_gs": 16.211244559070792, "distance": 3.29593739358441}


unique_id: d79180c11110c45ecd32baee2aa7d8f5
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2-1_0_0_1-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2-1_0_0_1-0.33_-0.33", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2-1_0_0_1-0.33_-0.33", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  1  1  4  4  4  7  8  9 10 11 11 11 14 14 14 17 18 19]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 4327327, "gap_pbe": 0.995, "gap_pbe_dir": 1.052, "gap_pbe_nosoc": 1.301, "gap_pbe_dir_nosoc": 1.399, "dipz": 0.046, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.077527581093914, "binding_energy_gs": 16.070941246684825, "distance": 3.3026463014836835}


unique_id: 35bd5ebbc0ed0d9394e095d58cc0dfba
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 5, "layer_group": "p11a", "space_group_number": 7, "space_group": "Pc", "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": false, "cod_id": 4327327, "gap_pbe": 0.939, "gap_pbe_dir": 1.026, "gap_pbe_nosoc": 1.22, "gap_pbe_dir_nosoc": 1.333, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 15.67523844114927, "binding_energy_gs": 15.66869849121039, "distance": 3.3685060317539097}


unique_id: 436d613868285ec09f1c10efa4225281
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2--1_0_0_-1-0.79_0.58", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327327, "gap_pbe": 0.907, "gap_pbe_dir": 0.991, "gap_pbe_nosoc": 1.218, "gap_pbe_dir_nosoc": 1.336, "dipz": 0.063, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.677297563064625, "binding_energy_gs": 14.670671301351009, "distance": 3.4636600910662594}


unique_id: 6a6fdb6aa0bbd9765782b171138d245a
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2--1_0_0_-1-Iz-0.79_0.58", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327327, "gap_pbe": 0.96, "gap_pbe_dir": 1.069, "gap_pbe_nosoc": 1.238, "gap_pbe_dir_nosoc": 1.389, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.46637819826188, "binding_energy_gs": 14.459841739375637, "distance": 3.5026841897393837}


unique_id: e77c9ae5134b9b2944b94eb1b5cec282
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2-1_0_0_1-Iz-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2-1_0_0_1-Iz-0.33_-0.33", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2-1_0_0_1-Iz-0.33_-0.33", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  1  1  4  4  4  7  8  9 10 11 11 11 14 14 14 17 18 19]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 4327327, "gap_pbe": 1.012, "gap_pbe_dir": 1.086, "gap_pbe_nosoc": 1.314, "gap_pbe_dir_nosoc": 1.44, "dipz": -0.003, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.021037209885721, "binding_energy_gs": 13.014498539595278, "distance": 3.7039514267176052}


unique_id: 5cee9001fc0a0641bdc2accd5d41d21c
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-Iz-0.62_-0.37", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2--1_0_0_-1-Iz-0.62_-0.37", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-Iz-0.62_-0.37", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327327, "gap_pbe": 1.012, "gap_pbe_dir": 1.098, "gap_pbe_nosoc": 1.269, "gap_pbe_dir_nosoc": 1.41, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.918347806254591, "binding_energy_gs": 12.911769841563341, "distance": 3.72407815041543}


unique_id: 5123c79c77b753a6e7d9c11c1b15c4a9
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2--1_0_0_-1-0_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-0_0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  1  1  4  4  4  7  8  9 10 11 11 11 14 14 14 17 18 19]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 4327327, "gap_pbe": 0.905, "gap_pbe_dir": 0.982, "gap_pbe_nosoc": 1.23, "gap_pbe_dir_nosoc": 1.364, "dipz": 0.065, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.616123086627459, "binding_energy_gs": 12.60963471878593, "distance": 3.7521431307350355}


unique_id: 1409df1903b3be3ccc4f574de38067e3
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2-1_0_0_1-0.03_-0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2-1_0_0_1-0.03_-0.66", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2-1_0_0_1-0.03_-0.66", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327327, "gap_pbe": 0.891, "gap_pbe_dir": 0.963, "gap_pbe_nosoc": 1.206, "gap_pbe_dir_nosoc": 1.331, "dipz": 0.068, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.464677913925307, "binding_energy_gs": 12.458189948339383, "distance": 3.7722698544328566}


unique_id: d03dc03dc817738c5129210cadd97638
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-0.67_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2--1_0_0_-1-0.67_-0.67", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-0.67_-0.67", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  1  1  4  4  4  7  8  9 10 11 11 11 14 14 14 17 18 19]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 4327327, "gap_pbe": 0.87, "gap_pbe_dir": 0.946, "gap_pbe_nosoc": 1.185, "gap_pbe_dir_nosoc": 1.307, "dipz": 0.073, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.428239779819748, "binding_energy_gs": 12.42176338907113, "distance": 3.7722698544328637}


unique_id: c3fd3110292182fc4b8efd5236102153
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2-1_0_0_1-Iz-1.0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2-1_0_0_1-Iz-1.0_-1.0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2-1_0_0_1-Iz-1.0_-1.0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 74, "layer_group": "p-6", "space_group_number": 174, "space_group": "P-6", "equivalent_atoms": "[0 1 1 1 4 4 4 7 8 9 0 1 1 1 4 4 4 7 8 9]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 4327327, "gap_pbe": 0.969, "gap_pbe_dir": 1.016, "gap_pbe_nosoc": 1.233, "gap_pbe_dir_nosoc": 1.374, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.045235609474064, "binding_energy_gs": 12.038716599466015, "distance": 3.8314206768038126}


unique_id: 23f41d1b75e5c27036a32fb42fd856ec
username: jensj
key_value_pairs:
  {"uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgBiP2Se6/AgBiP2Se6-c86df9e38dcb/AgBiP2Se6-2--1_0_0_-1-0.33_-0.33", "stoichiometry": "ABC2D6", "monolayer_uid": "AgBiP2Se6-c86df9e38dcb", "bilayer_uid": "AgBiP2Se6-c86df9e38dcb-2--1_0_0_-1-0.33_-0.33", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  1  1  4  4  4  7  8  9 10 11 11 11 14 14 14 17 18 19]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 4327327, "gap_pbe": 0.913, "gap_pbe_dir": 0.98, "gap_pbe_nosoc": 1.22, "gap_pbe_dir_nosoc": 1.334, "dipz": 0.066, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.960255194781412, "binding_energy_gs": 11.953813226842652, "distance": 3.846067841324878}


unique_id: 3e0e02226df4a7837b5e4095b22ccba0
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "number_of_layers": 1, "nspecies": 4, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 2 2 2 2 2 8 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509347, "ehull": 0.001260053980901621, "dynamically_stable": "Yes", "gap_pbe": 0.91, "gap_pbe_dir": 0.91, "gap_pbe_nosoc": 0.937, "gap_pbe_dir_nosoc": 0.988, "dipz": 0.0}


unique_id: d225dd375db49aa16bd721de58eb4235
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2-1_0_0_1--0.67_-0.33", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2-1_0_0_1--0.67_-0.33", "number_of_layers": 2, "nspecies": 4, "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 11 12 12 12 15 15 15 18 19]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509347, "gap_pbe": 0.747, "gap_pbe_dir": 0.747, "gap_pbe_nosoc": 0.779, "gap_pbe_dir_nosoc": 0.825, "dipz": 0.002, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 18.5326556065446, "binding_energy_gs": 18.526276519830482, "distance": 3.254292206781141}


unique_id: 870228e4ceca900d3c9907c510d75b5c
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-Iz-0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2--1_0_0_-1-Iz-0_-1.0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-Iz-0_-1.0", "number_of_layers": 2, "nspecies": 4, "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 8 9 0 1 2 2 2 5 5 5 8 9]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1509347, "gap_pbe": 0.704, "gap_pbe_dir": 0.704, "gap_pbe_nosoc": 0.714, "gap_pbe_dir_nosoc": 0.776, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 18.449857533601705, "binding_energy_gs": 18.44329862652436, "distance": 3.2542922067811446}


unique_id: 6477326e64e8bbef49d2a6d4457baf28
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 4, "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 8 9 0 1 2 2 2 5 5 5 8 9]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1509347, "gap_pbe": 0.722, "gap_pbe_dir": 0.724, "gap_pbe_nosoc": 0.736, "gap_pbe_dir_nosoc": 0.806, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 18.344593228412894, "binding_energy_gs": 18.338506209518318, "distance": 3.27412979534045}


unique_id: b790abb43f6b731c8e75be257f9bb811
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1--0.36_-0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2--1_0_0_-1--0.36_-0.35", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1--0.36_-0.35", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509347, "gap_pbe": 0.685, "gap_pbe_dir": 0.741, "gap_pbe_nosoc": 0.691, "gap_pbe_dir_nosoc": 0.798, "dipz": -0.001, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 17.916098598689587, "binding_energy_gs": 17.9098368741673, "distance": 3.3214969732450044}


unique_id: 7b2f8519a87ebb98b3fa23cbb1691705
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1--0.35_-0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2--1_0_0_-1--0.35_-0.35", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1--0.35_-0.35", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509347, "gap_pbe": 0.684, "gap_pbe_dir": 0.739, "gap_pbe_nosoc": 0.691, "gap_pbe_dir_nosoc": 0.796, "dipz": -0.001, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.911609647955526, "binding_energy_gs": 17.905347674838875, "distance": 3.3263335096079665}


unique_id: 23dc702175edffd75b437ae39bd388af
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2-1_0_0_1-Iz--0.68_-0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2-1_0_0_1-Iz--0.68_-0.68", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2-1_0_0_1-Iz--0.68_-0.68", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509347, "gap_pbe": 0.682, "gap_pbe_dir": 0.736, "gap_pbe_nosoc": 0.689, "gap_pbe_dir_nosoc": 0.793, "dipz": 0.001, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 17.88424465944861, "binding_energy_gs": 17.878008696043317, "distance": 3.321957874839825}


unique_id: f64b1d855ac5a1614f5bfd6431f6aa7d
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2-1_0_0_1--0.32_-0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2-1_0_0_1--0.32_-0.32", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2-1_0_0_1--0.32_-0.32", "number_of_layers": 2, "nspecies": 4, "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 5 7 6 2 4 3 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509347, "gap_pbe": 0.655, "gap_pbe_dir": 0.738, "gap_pbe_nosoc": 0.663, "gap_pbe_dir_nosoc": 0.791, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 17.850613830019746, "binding_energy_gs": 17.844458972082727, "distance": 3.3387312777051648}


unique_id: 97af266739bfd6ef241bb1876cc90e6e
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2-1_0_0_1-Iz--0.68_-0.7", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2-1_0_0_1-Iz--0.68_-0.7", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2-1_0_0_1-Iz--0.68_-0.7", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509347, "gap_pbe": 0.683, "gap_pbe_dir": 0.739, "gap_pbe_nosoc": 0.69, "gap_pbe_dir_nosoc": 0.8, "dipz": 0.001, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.84719128557713, "binding_energy_gs": 17.84094884607043, "distance": 3.3270300314986017}


unique_id: 66b210685fd51c550df010e953f5fd78
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2-1_0_0_1--0.3_-0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2-1_0_0_1--0.3_-0.32", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2-1_0_0_1--0.3_-0.32", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509347, "gap_pbe": 0.657, "gap_pbe_dir": 0.737, "gap_pbe_nosoc": 0.665, "gap_pbe_dir_nosoc": 0.793, "dipz": -0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.803926622211424, "binding_energy_gs": 17.797758763564207, "distance": 3.3402550905381325}


unique_id: 84476767f2e0666bb6f71dd3f64a1a6d
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1--0.32_-0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2--1_0_0_-1--0.32_-0.3", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1--0.32_-0.3", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509347, "gap_pbe": 0.673, "gap_pbe_dir": 0.727, "gap_pbe_nosoc": 0.68, "gap_pbe_dir_nosoc": 0.78, "dipz": -0.001, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.719694817990835, "binding_energy_gs": 17.7135229281947, "distance": 3.333642561018358}


unique_id: c7218a709780ccc6c6c3adbd98bf0335
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-Iz--0.32_-0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2--1_0_0_-1-Iz--0.32_-0.3", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-Iz--0.32_-0.3", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509347, "gap_pbe": 0.679, "gap_pbe_dir": 0.743, "gap_pbe_nosoc": 0.686, "gap_pbe_dir_nosoc": 0.796, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.682867666225608, "binding_energy_gs": 17.676711630075683, "distance": 3.353480149577674}


unique_id: 109b42509a2e672942f507f9b5dc54fc
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2--1_0_0_-1-0.5_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 4, "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 6 5 7 3 2 4 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509347, "gap_pbe": 0.744, "gap_pbe_dir": 0.764, "gap_pbe_nosoc": 0.76, "gap_pbe_dir_nosoc": 0.826, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 17.41470486533646, "binding_energy_gs": 17.408303676081097, "distance": 3.366705208617205}


unique_id: 4bd9d5f0e86f6e5eb0f7ea89800e0119
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-Iz--0.67_-0.33", "number_of_layers": 2, "nspecies": 4, "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 8 9 0 1 2 2 2 5 5 5 8 9]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1509347, "gap_pbe": 0.676, "gap_pbe_dir": 0.689, "gap_pbe_nosoc": 0.683, "gap_pbe_dir_nosoc": 0.76, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 16.828067840956315, "binding_energy_gs": 16.82230906641407, "distance": 3.399767856216055}


unique_id: aa81d2b261bf424e815d3a4ec0d98614
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2-1_0_0_1--1.0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2-1_0_0_1--1.0_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2-1_0_0_1--1.0_0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 2 2 5 5 5 8 9 0 1 5 5 5 2 2 2 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509347, "gap_pbe": 0.655, "gap_pbe_dir": 0.662, "gap_pbe_nosoc": 0.66, "gap_pbe_dir_nosoc": 0.735, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 16.663088094382285, "binding_energy_gs": 16.65725611326488, "distance": 3.419605444775353}


unique_id: ca7c1eb33aed782b9065eb520d45a20a
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 5, "layer_group": "p11a", "space_group_number": 7, "space_group": "Pc", "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": false, "cod_id": 1509347, "gap_pbe": 0.694, "gap_pbe_dir": 0.716, "gap_pbe_nosoc": 0.704, "gap_pbe_dir_nosoc": 0.753, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 16.454368808879234, "binding_energy_gs": 16.448122118501534, "distance": 3.446055562854429}


unique_id: e9e632bf3b5036988c257959190224f0
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2-1_0_0_1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2-1_0_0_1-Iz-0.79_0.58", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2-1_0_0_1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509347, "gap_pbe": 0.741, "gap_pbe_dir": 0.759, "gap_pbe_nosoc": 0.75, "gap_pbe_dir_nosoc": 0.832, "dipz": -0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 16.225034246423455, "binding_energy_gs": 16.21861607465928, "distance": 3.4658931514137343}


unique_id: a98fcb0fe13c05ab82a91b86a50e836b
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2--1_0_0_-1-0.79_0.58", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 4, "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 6 5 7 3 2 4 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509347, "gap_pbe": 0.726, "gap_pbe_dir": 0.756, "gap_pbe_nosoc": 0.745, "gap_pbe_dir_nosoc": 0.8, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 15.616451124361886, "binding_energy_gs": 15.610014368040327, "distance": 3.5254059170916463}


unique_id: 5747c3c466dafab10f43934c41ed08e2
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2-1_0_0_1-0.79_0.58", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509347, "gap_pbe": 0.749, "gap_pbe_dir": 0.763, "gap_pbe_nosoc": 0.765, "gap_pbe_dir_nosoc": 0.835, "dipz": -0.002, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 15.517833654345495, "binding_energy_gs": 15.511328770221573, "distance": 3.538630976131188}


unique_id: 4de7b3737d06d33cf9e5b82050c481cb
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509347, "gap_pbe": 0.759, "gap_pbe_dir": 0.769, "gap_pbe_nosoc": 0.77, "gap_pbe_dir_nosoc": 0.826, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 15.23011477606407, "binding_energy_gs": 15.223615414183712, "distance": 3.578306153249798}


unique_id: 338bcf4297144f976af2d02d6b9d8323
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2--1_0_0_-1-Iz-0.79_0.58", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509347, "gap_pbe": 0.74, "gap_pbe_dir": 0.764, "gap_pbe_nosoc": 0.751, "gap_pbe_dir_nosoc": 0.812, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 15.215644087610471, "binding_energy_gs": 15.209213294490999, "distance": 3.5716936237300345}


unique_id: 54636c6ea6ac2f7d0930d53e72864a2b
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2-1_0_0_1-0.5_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 4, "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 6 5 7 3 2 4 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509347, "gap_pbe": 0.718, "gap_pbe_dir": 0.748, "gap_pbe_nosoc": 0.723, "gap_pbe_dir_nosoc": 0.794, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.63408920012511, "binding_energy_gs": 14.627612356156051, "distance": 3.6312063894079394}


unique_id: 831d3c78a933eba06f93e90e431508eb
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2-1_0_0_1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2-1_0_0_1-Iz--0.67_-0.33", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2-1_0_0_1-Iz--0.67_-0.33", "number_of_layers": 2, "nspecies": 4, "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 11 12 12 12 15 15 15 18 19]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509347, "gap_pbe": 0.781, "gap_pbe_dir": 0.783, "gap_pbe_nosoc": 0.801, "gap_pbe_dir_nosoc": 0.861, "dipz": -0.002, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.513823251898359, "binding_energy_gs": 13.507141482760055, "distance": 3.796519627402155}


unique_id: 73bef5379027a088f1415e715941775e
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2-1_0_0_1--0.68_-0.7", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2-1_0_0_1--0.68_-0.7", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2-1_0_0_1--0.68_-0.7", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509347, "gap_pbe": 0.763, "gap_pbe_dir": 0.774, "gap_pbe_nosoc": 0.768, "gap_pbe_dir_nosoc": 0.841, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.333589290865218, "binding_energy_gs": 13.326954809951749, "distance": 3.8163572159614567}


unique_id: 3faa771317a955b90100c3d7bc623cbd
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2--1_0_0_-1-0_-1.0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-0_-1.0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 8 9 0 1 5 5 5 2 2 2 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509347, "gap_pbe": 0.753, "gap_pbe_dir": 0.759, "gap_pbe_nosoc": 0.773, "gap_pbe_dir_nosoc": 0.836, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.32603661582363, "binding_energy_gs": 13.319373518204943, "distance": 3.809744686441686}


unique_id: c9040dc74cf19997a6470db3ff3f1233
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2--1_0_0_-1--0.33_-0.67", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1--0.33_-0.67", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 8 9 0 1 5 5 5 2 2 2 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509347, "gap_pbe": 0.771, "gap_pbe_dir": 0.771, "gap_pbe_nosoc": 0.793, "gap_pbe_dir_nosoc": 0.85, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.28654575332062, "binding_energy_gs": 13.279869581160433, "distance": 3.8163572159614567}


unique_id: 461cd8bd0d57181d2f66b093975d9236
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-Iz--0.7_-0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2--1_0_0_-1-Iz--0.7_-0.68", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1-Iz--0.7_-0.68", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509347, "gap_pbe": 0.761, "gap_pbe_dir": 0.769, "gap_pbe_nosoc": 0.765, "gap_pbe_dir_nosoc": 0.833, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.273805287749623, "binding_energy_gs": 13.26716128994849, "distance": 3.8229697454812275}


unique_id: e19ab5ea9c29f1f729ae0267de9229a7
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2--1_0_0_-1--0.67_-0.33", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2--1_0_0_-1--0.67_-0.33", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 8 9 0 1 5 5 5 2 2 2 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509347, "gap_pbe": 0.752, "gap_pbe_dir": 0.752, "gap_pbe_nosoc": 0.766, "gap_pbe_dir_nosoc": 0.826, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.1089562064964, "binding_energy_gs": 13.102351205163853, "distance": 3.8494198635602928}


unique_id: cccd5d894588cfeb4228898cf8bc1191
username: jensj
key_value_pairs:
  {"uid": "AgGaP2Se6-678b86393994-2-1_0_0_1-Iz--1.0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgGaP2Se6/AgGaP2Se6-678b86393994/AgGaP2Se6-2-1_0_0_1-Iz--1.0_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgGaP2Se6-678b86393994", "bilayer_uid": "AgGaP2Se6-678b86393994-2-1_0_0_1-Iz--1.0_0", "number_of_layers": 2, "nspecies": 4, "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 8 9 0 1 2 2 2 5 5 5 8 9]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509347, "gap_pbe": 0.737, "gap_pbe_dir": 0.737, "gap_pbe_nosoc": 0.745, "gap_pbe_dir_nosoc": 0.812, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.701331299820817, "binding_energy_gs": 12.694766059689412, "distance": 3.8890950406789138}


unique_id: 1f606d0c2d1bb91cc748b16eeeb2d963
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "number_of_layers": 1, "nspecies": 4, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 0 0 0 0 0 6 7 8 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509399, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 0.863, "gap_pbe_dir": 0.997, "gap_pbe_nosoc": 0.893, "gap_pbe_dir_nosoc": 1.071, "dipz": 0.0}


unique_id: f940e9259f77e023654680362d14dfdc
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.3_-0.96", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1-Iz--0.3_-0.96", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.3_-0.96", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 0 0 3 3 3 6 7 8 9 0 0 0 3 3 3 6 7 8 9]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1509399, "gap_pbe": 0.69, "gap_pbe_dir": 0.789, "gap_pbe_nosoc": 0.71, "gap_pbe_dir_nosoc": 0.858, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 18.808046153896147, "binding_energy_gs": 18.801706868444427, "distance": 3.135099354596125}


unique_id: 80dc20cc4d57af8bd1636191193eee4e
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.32_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1-Iz--0.32_-1.0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.32_-1.0", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.691, "gap_pbe_dir": 0.79, "gap_pbe_nosoc": 0.709, "gap_pbe_dir_nosoc": 0.854, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 18.600681480811723, "binding_energy_gs": 18.59434050842645, "distance": 3.1532111112766046}


unique_id: c47cf0d4e0a496f43f2f54a642ceeb43
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2-1_0_0_1--0.33_-0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2-1_0_0_1--0.33_-0.66", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2-1_0_0_1--0.33_-0.66", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  0  0  3  3  3  6  7  8  9 10 10 10 13 13 13 16 17 18 19]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509399, "gap_pbe": 0.711, "gap_pbe_dir": 0.84, "gap_pbe_nosoc": 0.741, "gap_pbe_dir_nosoc": 0.909, "dipz": -0.003, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 18.187611947187204, "binding_energy_gs": 18.18146646009354, "distance": 3.194203577301373}


unique_id: a7e571122c24beb696797ccc35e3fbe7
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2-1_0_0_1--0.35_-0.7", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2-1_0_0_1--0.35_-0.7", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2-1_0_0_1--0.35_-0.7", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.709, "gap_pbe_dir": 0.84, "gap_pbe_nosoc": 0.74, "gap_pbe_dir_nosoc": 0.903, "dipz": -0.003, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 18.055155900867305, "binding_energy_gs": 18.048994128323695, "distance": 3.206741349561213}


unique_id: 65455a23bb93b5c7046e12c88462587c
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1--0.95_-0.97", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1--0.95_-0.97", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1--0.95_-0.97", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.677, "gap_pbe_dir": 0.829, "gap_pbe_nosoc": 0.694, "gap_pbe_dir_nosoc": 0.879, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 17.529720955947738, "binding_energy_gs": 17.523726494469656, "distance": 3.2712639988345664}


unique_id: 56260e93c5d37863713518b8ab24efc5
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1--0.94_-0.96", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1--0.94_-0.96", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1--0.94_-0.96", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.679, "gap_pbe_dir": 0.832, "gap_pbe_nosoc": 0.696, "gap_pbe_dir_nosoc": 0.883, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.518555117276545, "binding_energy_gs": 17.512557983084722, "distance": 3.274864815298198}


unique_id: eeda17bbbc48db350ca91ae644807994
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2-1_0_0_1-Iz--0.68_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2-1_0_0_1-Iz--0.68_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2-1_0_0_1-Iz--0.68_0", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.676, "gap_pbe_dir": 0.825, "gap_pbe_nosoc": 0.706, "gap_pbe_dir_nosoc": 0.876, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 17.50735765663952, "binding_energy_gs": 17.50138003343048, "distance": 3.274864685981914}


unique_id: 4a51ca878f31bf8c24a013aa4e8fad36
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2-1_0_0_1-Iz--0.66_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2-1_0_0_1-Iz--0.66_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2-1_0_0_1-Iz--0.66_0", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.674, "gap_pbe_dir": 0.816, "gap_pbe_nosoc": 0.704, "gap_pbe_dir_nosoc": 0.86, "dipz": -0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.42876790356892, "binding_energy_gs": 17.422797186716778, "distance": 3.2803451200763725}


unique_id: f5e90e68d597ac1f3097bb0dfa2c8339
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1--0.98_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1--0.98_-1.0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1--0.98_-1.0", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.677, "gap_pbe_dir": 0.828, "gap_pbe_nosoc": 0.694, "gap_pbe_dir_nosoc": 0.879, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.386664180320484, "binding_energy_gs": 17.38068837052933, "distance": 3.2803452493926564}


unique_id: f5c030c5a8d8b645c21a21bceadeb535
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.95_-0.96", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1-Iz--0.95_-0.96", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.95_-0.96", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.691, "gap_pbe_dir": 0.831, "gap_pbe_nosoc": 0.702, "gap_pbe_dir_nosoc": 0.883, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 17.342513047932123, "binding_energy_gs": 17.336577929498418, "distance": 3.304472566233205}


unique_id: 456ba18dd76348e6e5d5bec31f0419ef
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.64_-0.63", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1-Iz--0.64_-0.63", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.64_-0.63", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 0 0 3 3 3 6 7 8 9 0 0 0 3 3 3 6 7 8 9]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1509399, "gap_pbe": 0.691, "gap_pbe_dir": 0.822, "gap_pbe_nosoc": 0.701, "gap_pbe_dir_nosoc": 0.899, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 17.34041985375856, "binding_energy_gs": 17.334528722839217, "distance": 3.274864685981914}


unique_id: f4dc00342c164069d8d09c5c3dad52d3
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2-1_0_0_1--0.68_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2-1_0_0_1--0.68_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2-1_0_0_1--0.68_0", "number_of_layers": 2, "nspecies": 4, "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 3 5 4 0 2 1 6 7 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509399, "gap_pbe": 0.664, "gap_pbe_dir": 0.83, "gap_pbe_nosoc": 0.696, "gap_pbe_dir_nosoc": 0.886, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 17.339266133361903, "binding_energy_gs": 17.333302733659064, "distance": 3.300603999669221}


unique_id: dca3739e1391ee09443ce266aa47d117
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.96_-0.96", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1-Iz--0.96_-0.96", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.96_-0.96", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.69, "gap_pbe_dir": 0.831, "gap_pbe_nosoc": 0.701, "gap_pbe_dir_nosoc": 0.883, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.337610391250422, "binding_energy_gs": 17.33166928015821, "distance": 3.3006038703529335}


unique_id: 1d8686b6d99541a31d25ac6d921238f2
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.63_-0.64", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1-Iz--0.63_-0.64", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.63_-0.64", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.691, "gap_pbe_dir": 0.823, "gap_pbe_nosoc": 0.701, "gap_pbe_dir_nosoc": 0.892, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.272971330964218, "binding_energy_gs": 17.267076286675437, "distance": 3.2803451200763725}


unique_id: 93a72be8b42655e447e386de9f75c2f1
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2-1_0_0_1--0.66_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2-1_0_0_1--0.66_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2-1_0_0_1--0.66_0", "number_of_layers": 2, "nspecies": 4, "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 3 5 4 0 2 1 6 7 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509399, "gap_pbe": 0.663, "gap_pbe_dir": 0.833, "gap_pbe_nosoc": 0.695, "gap_pbe_dir_nosoc": 0.884, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.26778349401286, "binding_energy_gs": 17.26185665495806, "distance": 3.307110303876815}


unique_id: 4d5b9065ede7063b90dda077dafc5784
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.98_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1-Iz--0.98_-1.0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.98_-1.0", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.689, "gap_pbe_dir": 0.831, "gap_pbe_nosoc": 0.701, "gap_pbe_dir_nosoc": 0.887, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.195457128211032, "binding_energy_gs": 17.189550963924418, "distance": 3.3071101745605347}


unique_id: 97d93bde97d3f46d2cb357775031863a
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.97_-0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1-Iz--0.97_-0.3", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.97_-0.3", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 0 0 3 3 3 6 7 8 9 0 0 0 3 3 3 6 7 8 9]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1509399, "gap_pbe": 0.681, "gap_pbe_dir": 0.753, "gap_pbe_nosoc": 0.697, "gap_pbe_dir_nosoc": 0.82, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 16.82728845036983, "binding_energy_gs": 16.821685647025046, "distance": 3.3131644019203463}


unique_id: 98fb0490c13310a71a2c2af2681ffeea
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.98_-0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1-Iz--0.98_-0.3", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.98_-0.3", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 0 0 3 3 3 6 7 8 9 0 0 0 3 3 3 6 7 8 9]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1509399, "gap_pbe": 0.681, "gap_pbe_dir": 0.753, "gap_pbe_nosoc": 0.696, "gap_pbe_dir_nosoc": 0.818, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 16.822492907347485, "binding_energy_gs": 16.81688854731068, "distance": 3.313801438181571}


unique_id: 4488437461de2ae8367d531637e193e5
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1-0.29_0.58", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-0.29_0.58", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.703, "gap_pbe_dir": 0.856, "gap_pbe_nosoc": 0.724, "gap_pbe_dir_nosoc": 0.905, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 16.63497584877158, "binding_energy_gs": 16.628832680062896, "distance": 3.3472578856030566}


unique_id: 8810578121c07fcc8e5e64ba109c4d40
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2-1_0_0_1-0_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 0 0 3 3 3 6 7 8 9 3 3 3 0 0 0 6 7 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509399, "gap_pbe": 0.615, "gap_pbe_dir": 0.733, "gap_pbe_nosoc": 0.645, "gap_pbe_dir_nosoc": 0.803, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 16.57231132294066, "binding_energy_gs": 16.566723918033997, "distance": 3.3405666219820134}


unique_id: 1f4bd7eac1f1f28bf69aeb94ef50143d
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1-Iz-0.29_0.58", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz-0.29_0.58", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.716, "gap_pbe_dir": 0.84, "gap_pbe_nosoc": 0.73, "gap_pbe_dir_nosoc": 0.89, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 16.350811712825408, "binding_energy_gs": 16.34468942432602, "distance": 3.374022810770935}


unique_id: f820067ca9a1a3f5db6f55a8d5f26704
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 5, "layer_group": "p11a", "space_group_number": 7, "space_group": "Pc", "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": false, "cod_id": 1509399, "gap_pbe": 0.685, "gap_pbe_dir": 0.799, "gap_pbe_nosoc": 0.714, "gap_pbe_dir_nosoc": 0.83, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 15.932694973419093, "binding_energy_gs": 15.926603000467395, "distance": 3.4141703924971765}


unique_id: 90ec0032e198452e8e78f9710d03c8fe
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2-1_-1_0_-1-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2-1_-1_0_-1-0.29_0.58", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2-1_-1_0_-1-0.29_0.58", "number_of_layers": 2, "nspecies": 4, "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 3 5 4 0 2 1 6 7 9 8]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1509399, "gap_pbe": 0.7, "gap_pbe_dir": 0.788, "gap_pbe_nosoc": 0.718, "gap_pbe_dir_nosoc": 0.834, "dipz": 0.0, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 15.743038839634075, "binding_energy_gs": 15.737139697518241, "distance": 3.4141705218134604}


unique_id: 4a0f58b5df8900a9e4d57c6fcb8c5ca6
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2-1_0_0_1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2-1_0_0_1-Iz-0.79_0.58", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2-1_0_0_1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.707, "gap_pbe_dir": 0.846, "gap_pbe_nosoc": 0.738, "gap_pbe_dir_nosoc": 0.91, "dipz": 0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 15.578041151594666, "binding_energy_gs": 15.571808738878767, "distance": 3.4409354469813387}


unique_id: 6b6a539a86bd50e58bb3c90d514b1726
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1-0.79_0.58", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 4, "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 5 4 3 2 1 0 6 7 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509399, "gap_pbe": 0.699, "gap_pbe_dir": 0.838, "gap_pbe_nosoc": 0.718, "gap_pbe_dir_nosoc": 0.892, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 15.55127286191879, "binding_energy_gs": 15.545090926098466, "distance": 3.4476268399186587}


unique_id: ffc10a504bb6bf11221687f2f7a08dfa
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1-Iz-0.79_0.58", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.712, "gap_pbe_dir": 0.835, "gap_pbe_nosoc": 0.725, "gap_pbe_dir_nosoc": 0.883, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.994970886536343, "binding_energy_gs": 14.98873677230839, "distance": 3.507848083191739}


unique_id: e20b4a3f5b2897e0c99651de994c1a0c
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2-1_-1_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2-1_-1_0_-1-0.79_0.58", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2-1_-1_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 4, "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 3 5 4 0 2 1 6 7 9 8]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1509399, "gap_pbe": 0.726, "gap_pbe_dir": 0.852, "gap_pbe_nosoc": 0.745, "gap_pbe_dir_nosoc": 0.894, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.925276874574887, "binding_energy_gs": 14.919028161625112, "distance": 3.5145394761290625}


unique_id: 6370df9f9d44950a45d8ecfef3d9383f
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2-1_0_0_1-0.79_0.58", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.712, "gap_pbe_dir": 0.854, "gap_pbe_nosoc": 0.742, "gap_pbe_dir_nosoc": 0.921, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.858464077739177, "binding_energy_gs": 14.852163443717863, "distance": 3.521230739750102}


unique_id: dd728409c8477afebaadaafea27c26ee
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_1_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_1_0_1-0.79_0.58", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_1_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.708, "gap_pbe_dir": 0.83, "gap_pbe_nosoc": 0.738, "gap_pbe_dir_nosoc": 0.868, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.733234445960306, "binding_energy_gs": 14.727093364346914, "distance": 3.534613266992185}


unique_id: ee8f23978060d17b48a8a36e81b1cbd2
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2-1_-1_0_-1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2-1_-1_0_-1-Iz-0.79_0.58", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2-1_-1_0_-1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.725, "gap_pbe_dir": 0.847, "gap_pbe_nosoc": 0.755, "gap_pbe_dir_nosoc": 0.887, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.334776945679907, "binding_energy_gs": 14.328477123746381, "distance": 3.5814519830231824}


unique_id: e7e76c28238c6362ac4a350a8dc408cf
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_1_0_1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_1_0_1-Iz-0.79_0.58", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_1_0_1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.714, "gap_pbe_dir": 0.837, "gap_pbe_nosoc": 0.744, "gap_pbe_dir_nosoc": 0.88, "dipz": 0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.254180969575243, "binding_energy_gs": 14.247834475344968, "distance": 3.588143246644222}


unique_id: d60bce204d0e6f028de5900c1279fb5b
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.721, "gap_pbe_dir": 0.828, "gap_pbe_nosoc": 0.74, "gap_pbe_dir_nosoc": 0.886, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.13360356630741, "binding_energy_gs": 14.127092372002458, "distance": 3.6082170375073446}


unique_id: 3ae5487c81f92eecef5405f5a7393c20
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2-1_-1_0_-1-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2-1_-1_0_-1-Iz-0.29_0.58", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2-1_-1_0_-1-Iz-0.29_0.58", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.725, "gap_pbe_dir": 0.832, "gap_pbe_nosoc": 0.756, "gap_pbe_dir_nosoc": 0.893, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.172600086149325, "binding_energy_gs": 13.166358613565741, "distance": 3.7420423099281486}


unique_id: 8fb0b005d8c8ec64dadda77f980e87f3
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1--0.32_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1--0.32_-1.0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1--0.32_-1.0", "number_of_layers": 2, "nspecies": 4, "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 3 5 4 0 2 1 6 7 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509399, "gap_pbe": 0.735, "gap_pbe_dir": 0.848, "gap_pbe_nosoc": 0.765, "gap_pbe_dir_nosoc": 0.916, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.853984039638393, "binding_energy_gs": 12.847607351641933, "distance": 3.7888812845917137}


unique_id: 96263a61ddfebc913aa40e2a408ac1e0
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2-1_0_0_1-Iz--0.35_-0.7", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2-1_0_0_1-Iz--0.35_-0.7", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2-1_0_0_1-Iz--0.35_-0.7", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.744, "gap_pbe_dir": 0.869, "gap_pbe_nosoc": 0.774, "gap_pbe_dir_nosoc": 0.936, "dipz": 0.002, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.788736745113521, "binding_energy_gs": 12.782296178019239, "distance": 3.8022636825175127}


unique_id: 8a7f849543571419c976dcae7b019d37
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.98_-0.65", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1-Iz--0.98_-0.65", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1-Iz--0.98_-0.65", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 1509399, "gap_pbe": 0.739, "gap_pbe_dir": 0.859, "gap_pbe_nosoc": 0.754, "gap_pbe_dir_nosoc": 0.909, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.549139758487746, "binding_energy_gs": 12.542727185015018, "distance": 3.8290287370016713}


unique_id: ef141e191bd9beed93754f485775ab73
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2-1_0_0_1-0_-0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2-1_0_0_1-0_-0.35", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2-1_0_0_1-0_-0.35", "number_of_layers": 2, "nspecies": 4, "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 5 4 3 2 1 0 6 7 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509399, "gap_pbe": 0.737, "gap_pbe_dir": 0.859, "gap_pbe_nosoc": 0.767, "gap_pbe_dir_nosoc": 0.909, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.536945766341798, "binding_energy_gs": 12.530538227228758, "distance": 3.8290288663179552}


unique_id: 27b392d34b5e3da13c953d58d27c5881
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1--0.98_-0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1--0.98_-0.3", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1--0.98_-0.3", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 0 0 3 3 3 6 7 8 9 3 3 3 0 0 0 6 7 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509399, "gap_pbe": 0.731, "gap_pbe_dir": 0.833, "gap_pbe_nosoc": 0.763, "gap_pbe_dir_nosoc": 0.901, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.446907957289067, "binding_energy_gs": 12.440608126615794, "distance": 3.842411393560031}


unique_id: f4e28a89565ca6cd3e5f8398017d27f8
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1--0.63_-0.64", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2--1_0_0_-1--0.63_-0.64", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2--1_0_0_-1--0.63_-0.64", "number_of_layers": 2, "nspecies": 4, "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 4 3 5 1 0 2 6 7 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509399, "gap_pbe": 0.751, "gap_pbe_dir": 0.863, "gap_pbe_nosoc": 0.772, "gap_pbe_dir_nosoc": 0.933, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.378962842614037, "binding_energy_gs": 12.372732990110219, "distance": 3.849102657181078}


unique_id: 938898591bcf9b648fc6096f405ec976
username: jensj
key_value_pairs:
  {"uid": "AgInP2Se6-f531326aab15-2-1_0_0_1-Iz-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgInP2Se6/AgInP2Se6-f531326aab15/AgInP2Se6-2-1_0_0_1-Iz-0_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgInP2Se6-f531326aab15", "bilayer_uid": "AgInP2Se6-f531326aab15-2-1_0_0_1-Iz-0_0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 74, "layer_group": "p-6", "space_group_number": 174, "space_group": "P-6", "equivalent_atoms": "[0 0 0 3 3 3 6 7 8 9 0 0 0 3 3 3 6 7 8 9]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1509399, "gap_pbe": 0.704, "gap_pbe_dir": 0.822, "gap_pbe_nosoc": 0.732, "gap_pbe_dir_nosoc": 0.893, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.108707896268923, "binding_energy_gs": 12.102460565166558, "distance": 3.882558845969996}


unique_id: 82f6f17144ac5eb32e7fd1a6c4bc4ed9
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "number_of_layers": 1, "nspecies": 4, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 1 1 1 1 1 7 8 8]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 195336, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 1.634, "gap_pbe_dir": 1.68, "gap_pbe_nosoc": 1.691, "gap_pbe_dir_nosoc": 1.721, "dipz": 0.0}


unique_id: 6566530acf287bbae830e24fb12b67c3
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 1 1 4 4 4 7 8 9 0 1 1 1 4 4 4 7 8 9]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 195336, "gap_pbe": 1.597, "gap_pbe_dir": 1.643, "gap_pbe_nosoc": 1.633, "gap_pbe_dir_nosoc": 1.658, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 18.1722745938789, "binding_energy_gs": 18.165395556589097, "distance": 3.2165845799347323}


unique_id: 282a002dd713b4b4735b846b8d2c06a3
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2-1_0_0_1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2-1_0_0_1--0.33_-0.67", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2-1_0_0_1--0.33_-0.67", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  1  1  4  4  4  7  8  9 10 11 11 11 14 14 14 17 18 19]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 195336, "gap_pbe": 1.579, "gap_pbe_dir": 1.611, "gap_pbe_nosoc": 1.644, "gap_pbe_dir_nosoc": 1.678, "dipz": 0.007, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 17.66547644389105, "binding_energy_gs": 17.658593857798603, "distance": 3.2633407894495754}


unique_id: 23f1f45417c8864a121a0aef435a27c3
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1-Iz--0.33_-0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2--1_0_0_-1-Iz--0.33_-0.32", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1-Iz--0.33_-0.32", "number_of_layers": 2, "nspecies": 4, "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": false, "icsd_id": 195336, "gap_pbe": 1.523, "gap_pbe_dir": 1.576, "gap_pbe_nosoc": 1.558, "gap_pbe_dir_nosoc": 1.587, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 17.393417648797016, "binding_energy_gs": 17.386499336329564, "distance": 3.3253923944153705}


unique_id: cfa2e29148992438ae94cdde64e2373b
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1-Iz--0.34_-0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2--1_0_0_-1-Iz--0.34_-0.32", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1-Iz--0.34_-0.32", "number_of_layers": 2, "nspecies": 4, "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": false, "icsd_id": 195336, "gap_pbe": 1.523, "gap_pbe_dir": 1.576, "gap_pbe_nosoc": 1.558, "gap_pbe_dir_nosoc": 1.588, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.39059532110965, "binding_energy_gs": 17.383677824304986, "distance": 3.3272770814053487}


unique_id: fd4c3180b378bd377bcce83f4f23d721
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1-Iz--0.36_-0.36", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2--1_0_0_-1-Iz--0.36_-0.36", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1-Iz--0.36_-0.36", "number_of_layers": 2, "nspecies": 4, "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": false, "icsd_id": 195336, "gap_pbe": 1.521, "gap_pbe_dir": 1.575, "gap_pbe_nosoc": 1.553, "gap_pbe_dir_nosoc": 1.586, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.237193043103854, "binding_energy_gs": 17.230272696635524, "distance": 3.3301353744707214}


unique_id: b13db943f31cb007b2f71639121da1ec
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2-1_0_0_1--0.64_-0.99", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2-1_0_0_1--0.64_-0.99", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2-1_0_0_1--0.64_-0.99", "number_of_layers": 2, "nspecies": 4, "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 6 5 4 3 2 1 7 9 8]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 195336, "gap_pbe": 1.501, "gap_pbe_dir": 1.563, "gap_pbe_nosoc": 1.549, "gap_pbe_dir_nosoc": 1.575, "dipz": -0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 17.17223526936372, "binding_energy_gs": 17.165319105993806, "distance": 3.3368148329728626}


unique_id: 557fc4c86c2207962f121bb8829fc103
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1--0.36_-0.36", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2--1_0_0_-1--0.36_-0.36", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1--0.36_-0.36", "number_of_layers": 2, "nspecies": 4, "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": false, "icsd_id": 195336, "gap_pbe": 1.542, "gap_pbe_dir": 1.593, "gap_pbe_nosoc": 1.579, "gap_pbe_dir_nosoc": 1.613, "dipz": -0.001, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.159093490418396, "binding_energy_gs": 17.152199947412115, "distance": 3.32345591596863}


unique_id: 7850290b5bede6079133aad424534ba5
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2-1_0_0_1-Iz--0.64_-0.64", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2-1_0_0_1-Iz--0.64_-0.64", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2-1_0_0_1-Iz--0.64_-0.64", "number_of_layers": 2, "nspecies": 4, "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": false, "icsd_id": 195336, "gap_pbe": 1.536, "gap_pbe_dir": 1.581, "gap_pbe_nosoc": 1.584, "gap_pbe_dir_nosoc": 1.599, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.08916563310577, "binding_energy_gs": 17.082277241598792, "distance": 3.3301353744707214}


unique_id: 18e3b1857ced3025a9cec7c2b6a9a599
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1-Iz--0.67_-0.33", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 1 1 4 4 4 7 8 9 0 1 1 1 4 4 4 7 8 9]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 195336, "gap_pbe": 1.612, "gap_pbe_dir": 1.65, "gap_pbe_nosoc": 1.643, "gap_pbe_dir_nosoc": 1.679, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 16.816847977348385, "binding_energy_gs": 16.810024387558602, "distance": 3.343494291474954}


unique_id: f8f160ff20a41a073102abb37a45d354
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1-Iz--1.0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2--1_0_0_-1-Iz--1.0_-1.0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1-Iz--1.0_-1.0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 1 1 4 4 4 7 8 9 0 1 1 1 4 4 4 7 8 9]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 195336, "gap_pbe": 1.533, "gap_pbe_dir": 1.592, "gap_pbe_nosoc": 1.577, "gap_pbe_dir_nosoc": 1.609, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 16.534667519650604, "binding_energy_gs": 16.52780412256304, "distance": 3.3702121254834196}


unique_id: ea46b6b08460bc1aba921f2b5bf0aba0
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2-1_0_0_1-0_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 1 1 4 4 4 7 8 9 0 4 4 4 1 1 1 7 9 8]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 195336, "gap_pbe": 1.507, "gap_pbe_dir": 1.539, "gap_pbe_nosoc": 1.569, "gap_pbe_dir_nosoc": 1.579, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 16.219961559010372, "binding_energy_gs": 16.213141993426518, "distance": 3.396929959491917}


unique_id: 7281a192d049962b1d565ee4f1e0e1eb
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2--1_0_0_-1-0.5_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 4, "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 6 5 4 3 2 1 7 9 8]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 195336, "gap_pbe": 1.538, "gap_pbe_dir": 1.582, "gap_pbe_nosoc": 1.583, "gap_pbe_dir_nosoc": 1.62, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 16.05495697208682, "binding_energy_gs": 16.04806624426067, "distance": 3.4303272520024954}


unique_id: 6f08e51b98dee38eb12663062429329a
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 5, "layer_group": "p11a", "space_group_number": 7, "space_group": "Pc", "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": false, "icsd_id": 195336, "gap_pbe": 1.531, "gap_pbe_dir": 1.574, "gap_pbe_nosoc": 1.59, "gap_pbe_dir_nosoc": 1.603, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 15.824662122903364, "binding_energy_gs": 15.817777126648718, "distance": 3.450365627508827}


unique_id: 4e9f49d2a1c5d37ea88a99e54be307aa
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2--1_0_0_-1--0.33_-0.67", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1--0.33_-0.67", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 1 1 4 4 4 7 8 9 0 4 4 4 1 1 1 7 9 8]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 195336, "gap_pbe": 1.608, "gap_pbe_dir": 1.659, "gap_pbe_nosoc": 1.654, "gap_pbe_dir_nosoc": 1.673, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.979410329198648, "binding_energy_gs": 12.972582752976928, "distance": 3.8043769281210515}


unique_id: 651deba0cff8430c27fba4b29d5ac451
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2-1_0_0_1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2-1_0_0_1-Iz--0.33_-0.67", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2-1_0_0_1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  1  1  4  4  4  7  8  9 10 11 11 11 14 14 14 17 18 19]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 195336, "gap_pbe": 1.603, "gap_pbe_dir": 1.651, "gap_pbe_nosoc": 1.664, "gap_pbe_dir_nosoc": 1.697, "dipz": 0.003, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.85733669661367, "binding_energy_gs": 12.850494019337708, "distance": 3.8244153036273794}


unique_id: 4f4392f00ba9d5d1b88b83bb2cdf1dfa
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1-Iz--0.36_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2--1_0_0_-1-Iz--0.36_-0.01", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1-Iz--0.36_-0.01", "number_of_layers": 2, "nspecies": 4, "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": false, "icsd_id": 195336, "gap_pbe": 1.597, "gap_pbe_dir": 1.649, "gap_pbe_nosoc": 1.627, "gap_pbe_dir_nosoc": 1.67, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.761162673230395, "binding_energy_gs": 12.754334167369683, "distance": 3.8377742206316086}


unique_id: bed181710dc04eacb305c7e477803592
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2-1_0_0_1--0.64_-0.64", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2-1_0_0_1--0.64_-0.64", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2-1_0_0_1--0.64_-0.64", "number_of_layers": 2, "nspecies": 4, "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 5 4 6 2 1 3 7 9 8]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 195336, "gap_pbe": 1.574, "gap_pbe_dir": 1.62, "gap_pbe_nosoc": 1.622, "gap_pbe_dir_nosoc": 1.651, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.727847533683152, "binding_energy_gs": 12.721014367732533, "distance": 3.837774220631637}


unique_id: 2a498d8369694e26844c0850f25f17e2
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1--1.0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2--1_0_0_-1--1.0_-1.0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1--1.0_-1.0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 1 1 4 4 4 7 8 9 0 4 4 4 1 1 1 7 9 8]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 195336, "gap_pbe": 1.576, "gap_pbe_dir": 1.64, "gap_pbe_nosoc": 1.63, "gap_pbe_dir_nosoc": 1.659, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.588311933770902, "binding_energy_gs": 12.581473101513115, "distance": 3.8578125961379897}


unique_id: 3c0810aafc89e87f1d1c25874615ecfc
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2--1_0_0_-1--0.67_-0.33", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2--1_0_0_-1--0.67_-0.33", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 1 1 4 4 4 7 8 9 0 4 4 4 1 1 1 7 9 8]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 195336, "gap_pbe": 1.6, "gap_pbe_dir": 1.653, "gap_pbe_nosoc": 1.657, "gap_pbe_dir_nosoc": 1.696, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.576457741241429, "binding_energy_gs": 12.569633741070732, "distance": 3.8578125961379897}


unique_id: c6f55c1a88814ab16481aa13f19f53a3
username: jensj
key_value_pairs:
  {"uid": "AgScP2Se6-83b1fde87e6b-2-1_0_0_1-Iz-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-sahar/ABC2D6/AgScP2Se6/AgScP2Se6-83b1fde87e6b/AgP2ScSe6-2-1_0_0_1-Iz-0_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgScP2Se6-83b1fde87e6b", "bilayer_uid": "AgScP2Se6-83b1fde87e6b-2-1_0_0_1-Iz-0_0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 74, "layer_group": "p-6", "space_group_number": 174, "space_group": "P-6", "equivalent_atoms": "[0 1 1 1 4 4 4 7 8 9 0 1 1 1 4 4 4 7 8 9]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 195336, "gap_pbe": 1.539, "gap_pbe_dir": 1.582, "gap_pbe_nosoc": 1.6, "gap_pbe_dir_nosoc": 1.637, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.406710990531305, "binding_energy_gs": 12.399890958574819, "distance": 3.8845304301464303}


unique_id: 217eb1d22a241f84b7ce744d2c41b452
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "number_of_layers": 1, "nspecies": 4, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 0 2 3 4 5 6 3 6 5]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1509506, "ehull": 0.004290893361986736, "dynamically_stable": "Yes", "gap_pbe": 1.247, "gap_pbe_dir": 1.281, "gap_pbe_nosoc": 1.261, "gap_pbe_dir_nosoc": 1.303, "dipz": 0.0}


unique_id: bdd3ac2fa9de65035d4bf8cda51800cf
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.26_-0.41", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz-0.26_-0.41", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.26_-0.41", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 139.61489669597128, "binding_energy_gs": 18.346364522059552, "distance": 3.192153485328717}


unique_id: ee409fed4f18fcf8b5e178de949f5c0a
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0.36_0.05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-0.36_0.05", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0.36_0.05", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 139.5131651979697, "binding_energy_gs": 18.24464042502119, "distance": 3.202749999999998}


unique_id: 8493250775e720d2585422e95268755c
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.25_-0.39", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz-0.25_-0.39", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.25_-0.39", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "gap_pbe": 1.204, "gap_pbe_dir": 1.256, "gap_pbe_nosoc": 1.217, "gap_pbe_dir_nosoc": 1.278, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0008556205805803074, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 139.50513292723537, "binding_energy_gs": 18.383153497092927, "distance": 3.190919110328718}


unique_id: c31365ba78dc91e41a8b84253fc706d8
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.59_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz-0.59_-0.67", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.59_-0.67", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 139.49874027699337, "binding_energy_gs": 18.22993425792337, "distance": 3.202028485328711}


unique_id: c9a54d3ede59cd3cb42df50f85ebfd8b
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.6_-0.69", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz-0.6_-0.69", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.6_-0.69", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "gap_pbe": 1.152, "gap_pbe_dir": 1.215, "gap_pbe_nosoc": 1.163, "gap_pbe_dir_nosoc": 1.229, "dipz": 0.0, "interlayer_magnetic_exchange": -0.0006698651732079952, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 139.48624096048354, "binding_energy_gs": 18.365286698445743, "distance": 3.202028485328711}


unique_id: c9c810d10390450979714b39c1fa4da2
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.96_-0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-Iz-0.96_-0.35", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.96_-0.35", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 139.42440409047245, "binding_energy_gs": 18.155704082453063, "distance": 3.202028485328711}


unique_id: a76ef97037437164207fece300b9265d
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0.69_-0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-0.69_-0.66", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0.69_-0.66", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "gap_pbe": 1.202, "gap_pbe_dir": 1.231, "gap_pbe_nosoc": 1.221, "gap_pbe_dir_nosoc": 1.251, "dipz": -0.003, "interlayer_magnetic_exchange": -0.0006906513000473069, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 139.394421793223, "binding_energy_gs": 18.272002794859024, "distance": 3.1657187500000035}


unique_id: 5849f9cdc91ed954f594a8ba6fc9295e
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1--0.3_0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1--0.3_0.35", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1--0.3_0.35", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 139.39116532072103, "binding_energy_gs": 18.269407760190358, "distance": 3.1657187500000035}


unique_id: df9c9efe5f5c686a066a321fb1f973e3
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.99_0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-Iz-0.99_0.66", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.99_0.66", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "gap_pbe": 1.16, "gap_pbe_dir": 1.211, "gap_pbe_nosoc": 1.175, "gap_pbe_dir_nosoc": 1.238, "dipz": 0.006, "interlayer_magnetic_exchange": -0.00023422704121855986, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 139.3441932175707, "binding_energy_gs": 18.22183776625207, "distance": 3.1896847353287185}


unique_id: 3c4d0e0c7820166cfd31265b2feeccc1
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-1.0_-0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-Iz-1.0_-0.34", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-1.0_-0.34", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "gap_pbe": 1.16, "gap_pbe_dir": 1.212, "gap_pbe_nosoc": 1.175, "gap_pbe_dir_nosoc": 1.239, "dipz": 0.006, "interlayer_magnetic_exchange": -0.0002585485782304886, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 139.34287703762448, "binding_energy_gs": 18.22061832676327, "distance": 3.192153485328717}


unique_id: b02cf8cb0eef43b4086bca398262692c
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1--0.01_0.26", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1--0.01_0.26", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1--0.01_0.26", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 139.31971317556926, "binding_energy_gs": 18.051040070431007, "distance": 3.212624999999999}


unique_id: fcbd261c92b62cbd2c0c178b320b5991
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.94_-0.36", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz-0.94_-0.36", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.94_-0.36", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 139.3067960091973, "binding_energy_gs": 18.039126709618678, "distance": 3.1822784853287196}


unique_id: 9c4c121fba32ea03d9c34899f4eeb07d
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.59_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-0.59_-0.67", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.59_-0.67", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 139.28218354954552, "binding_energy_gs": 18.01382117440799, "distance": 3.202749999999998}


unique_id: 726d14fd45b0e083c33e9754c7cb6452
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0.66_-0.64", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-0.66_-0.64", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0.66_-0.64", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 139.28071549741978, "binding_energy_gs": 18.01330106868662, "distance": 3.183}


unique_id: 3989a42f2cae1d4a0971786ea10a8bb8
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.26_-0.41", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-0.26_-0.41", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.26_-0.41", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 139.2583331577273, "binding_energy_gs": 17.9903574332564, "distance": 3.202749999999998}


unique_id: 5d2d3be0b1df707a0e4d3c494ebc695d
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.6_-0.69", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-0.6_-0.69", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.6_-0.69", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "gap_pbe": 1.161, "gap_pbe_dir": 1.204, "gap_pbe_nosoc": 1.177, "gap_pbe_dir_nosoc": 1.224, "dipz": -0.001, "interlayer_magnetic_exchange": -0.00041697066465928856, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 139.23227015372515, "binding_energy_gs": 18.110508271513318, "distance": 3.203984375000001}


unique_id: 3cf786a95912fe1cb251a7cc9e31a6c2
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1--0.4_0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1--0.4_0.31", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1--0.4_0.31", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "gap_pbe": 1.161, "gap_pbe_dir": 1.204, "gap_pbe_nosoc": 1.177, "gap_pbe_dir_nosoc": 1.224, "dipz": -0.001, "interlayer_magnetic_exchange": -0.000412941681233292, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 139.23223433386877, "binding_energy_gs": 18.110526811358824, "distance": 3.201515625000006}


unique_id: 79f45b3c9607904fc835139d53ad8ce1
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1--0.41_0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1--0.41_0.31", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1--0.41_0.31", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "gap_pbe": 1.161, "gap_pbe_dir": 1.203, "gap_pbe_nosoc": 1.177, "gap_pbe_dir_nosoc": 1.223, "dipz": -0.001, "interlayer_magnetic_exchange": -0.0005511374705520211, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 139.22754733493753, "binding_energy_gs": 18.10591451579385, "distance": 3.203984375000001}


unique_id: fa375391c6808597e4da95cdef85523a
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.59_-0.7", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-0.59_-0.7", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.59_-0.7", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 139.21974341314686, "binding_energy_gs": 18.098238310383387, "distance": 3.2052187500000002}


unique_id: a48ca7842282b7404381e9c643938585
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.6_-0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz-0.6_-0.02", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.6_-0.02", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "gap_pbe": 1.224, "gap_pbe_dir": 1.26, "gap_pbe_nosoc": 1.239, "gap_pbe_dir_nosoc": 1.282, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0002150661922968311, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 139.21805392161585, "binding_energy_gs": 18.09624443426787, "distance": 3.1785753603287183}


unique_id: 6d1b707decd391cbaeb58d68e59d9c45
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz--0.39_0.98", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz--0.39_0.98", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz--0.39_0.98", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 139.21548263372898, "binding_energy_gs": 18.093892312994296, "distance": 3.179809735328721}


unique_id: 27b5cb28a72a8b75e3e96f59483a15cd
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz--0.02_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz--0.02_-0.01", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz--0.02_-0.01", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 139.20365338368975, "binding_energy_gs": 17.935236151816266, "distance": 3.2217784853287164}


unique_id: eea0111dda798f14bd09d810be440503
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.95_-0.37", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz-0.95_-0.37", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.95_-0.37", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "gap_pbe": 1.159, "gap_pbe_dir": 1.237, "gap_pbe_nosoc": 1.171, "gap_pbe_dir_nosoc": 1.254, "dipz": 0.0, "interlayer_magnetic_exchange": -0.0008127845933074695, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 139.19248115729337, "binding_energy_gs": 18.07221575719004, "distance": 3.179809735328721}


unique_id: 21a13f6148774ac728c7878771a75d4b
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.95_0.63", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz-0.95_0.63", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.95_0.63", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "gap_pbe": 1.159, "gap_pbe_dir": 1.237, "gap_pbe_nosoc": 1.171, "gap_pbe_dir_nosoc": 1.254, "dipz": 0.0, "interlayer_magnetic_exchange": -0.0007686388193093308, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 139.19160201741727, "binding_energy_gs": 18.070397442095842, "distance": 3.177340985328719}


unique_id: d454d2f38c3ff2d7087d915f70c8ec20
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.58_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz-0.58_-0.01", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.58_-0.01", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 139.1893699139876, "binding_energy_gs": 17.92086143935564, "distance": 3.192153485328717}


unique_id: ed24a62b89734b04ab967479f774e8ed
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.25_-0.39", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-0.25_-0.39", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.25_-0.39", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "gap_pbe": 1.148, "gap_pbe_dir": 1.179, "gap_pbe_nosoc": 1.175, "gap_pbe_dir_nosoc": 1.208, "dipz": -0.004, "interlayer_magnetic_exchange": -0.00031755501488817117, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 139.17797407757533, "binding_energy_gs": 18.05643464549255, "distance": 3.203984375000001}


unique_id: 4afc553ffe44fe522836114809a412fa
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.26_-0.38", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-0.26_-0.38", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.26_-0.38", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 139.17229856469615, "binding_energy_gs": 18.050662838575185, "distance": 3.2052187500000002}


unique_id: 9006e341c55338276264f06d7e6ef447
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz--0.4_0.24", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz--0.4_0.24", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz--0.4_0.24", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 139.161358668297, "binding_energy_gs": 17.892972805037257, "distance": 3.2217784853287164}


unique_id: 5c42b146c222703272d904e9e0ca7252
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz--0.05_-0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz--0.05_-0.03", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz--0.05_-0.03", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "gap_pbe": 1.081, "gap_pbe_dir": 1.127, "gap_pbe_nosoc": 1.094, "gap_pbe_dir_nosoc": 1.146, "dipz": 0.0, "interlayer_magnetic_exchange": -6.0863781513376125e-05, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 139.14660828352604, "binding_energy_gs": 18.02440906333419, "distance": 3.218075360328722}


unique_id: a2c62a99c683ff27117b3f30e557e41d
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1--0.02_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1--0.02_-0.01", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1--0.02_-0.01", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 139.14078247335166, "binding_energy_gs": 17.87219895566042, "distance": 3.212624999999999}


unique_id: 229b74ce8fb5b346d1de556bb5b85c13
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.67_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-Iz-0.67_-0.01", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.67_-0.01", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "gap_pbe": 1.158, "gap_pbe_dir": 1.214, "gap_pbe_nosoc": 1.175, "gap_pbe_dir_nosoc": 1.24, "dipz": -0.001, "interlayer_magnetic_exchange": -0.0003906520532552804, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 139.08882927775252, "binding_energy_gs": 17.966787271914193, "distance": 3.2069659853287185}


unique_id: 880c24ac4770e4335560b1bec37640f4
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz--0.34_0.99", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-Iz--0.34_0.99", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz--0.34_0.99", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "gap_pbe": 1.158, "gap_pbe_dir": 1.214, "gap_pbe_nosoc": 1.175, "gap_pbe_dir_nosoc": 1.241, "dipz": -0.001, "interlayer_magnetic_exchange": -0.0003582601829776877, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 139.0859356112512, "binding_energy_gs": 17.963561118547958, "distance": 3.2082003603287177}


unique_id: f722b8df4f2d882c5571c3b1a9ed5dc1
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.67_-0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-Iz-0.67_-0.02", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.67_-0.02", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 139.07927540834496, "binding_energy_gs": 17.956930150192196, "distance": 3.20449723532872}


unique_id: 76eeaf9d2a5258443bbc9dbd801b30da
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.69_0.05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-Iz-0.69_0.05", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.69_0.05", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 139.02432317218614, "binding_energy_gs": 17.756195951739446, "distance": 3.2217784853287164}


unique_id: 34ba4afe09294a07315ead5142df921b
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1--0.04_-0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1--0.04_-0.02", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1--0.04_-0.02", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "gap_pbe": 1.156, "gap_pbe_dir": 1.197, "gap_pbe_nosoc": 1.179, "gap_pbe_dir_nosoc": 1.225, "dipz": -0.0, "interlayer_magnetic_exchange": 0.00010856789604929418, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 139.0180562996644, "binding_energy_gs": 17.895904950588704, "distance": 3.2113906250000035}


unique_id: f632ff7351f1e06497942062d0e0c1cc
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1--0.29_0.29", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1--0.29_0.29", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1--0.29_0.29", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 138.99202579387037, "binding_energy_gs": 17.72334280189154, "distance": 3.212624999999999}


unique_id: 4df22094b396afc1fd98e4932de15783
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.31_0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-Iz-0.31_0.32", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.31_0.32", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "gap_pbe": 1.094, "gap_pbe_dir": 1.133, "gap_pbe_nosoc": 1.109, "gap_pbe_dir_nosoc": 1.151, "dipz": 0.003, "interlayer_magnetic_exchange": -4.026688614544582e-06, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 138.97740680085914, "binding_energy_gs": 17.855011858958086, "distance": 3.2205441103287242}


unique_id: e441bcb42f105ec4bed51d3fbd801416
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.3_0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-Iz-0.3_0.31", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.3_0.31", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 138.9727460823099, "binding_energy_gs": 17.85060422915644, "distance": 3.2205441103287242}


unique_id: cf70d654f8633aee53fc4753bf1dab42
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0.71_-0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-0.71_-0.34", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0.71_-0.34", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 138.93607505224358, "binding_energy_gs": 17.668016896055367, "distance": 3.2422499999999985}


unique_id: b9aa9a758a51685b9901477757872535
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.36_0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-Iz-0.36_0.31", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.36_0.31", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 138.8376545430259, "binding_energy_gs": 17.56928655156746, "distance": 3.2415284853287147}


unique_id: 74bc40ef7819fcec2349fd1239ac9a07
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1--0.4_0.24", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1--0.4_0.24", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1--0.4_0.24", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 138.79485001207001, "binding_energy_gs": 17.526385145140242, "distance": 3.2422499999999985}


unique_id: 5b29bb4424c5ac34d97b4643e9a921c5
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz--0.3_0.95", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-Iz--0.3_0.95", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz--0.3_0.95", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 138.7818501853678, "binding_energy_gs": 17.513910697123087, "distance": 3.2415284853287147}


unique_id: 9f2d739f5925f9ff5da8792054972347
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz--0.37_0.93", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz--0.37_0.93", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz--0.37_0.93", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 138.73123485439174, "binding_energy_gs": 17.46319701128887, "distance": 3.2217784853287164}


unique_id: 5b612afa124935311f62eb36e000faf6
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.22_-0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz-0.22_-0.32", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.22_-0.32", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 138.58327387710065, "binding_energy_gs": 17.315836952391905, "distance": 3.2612784853287167}


unique_id: 2399f30466b0ea3ea7e99f82c92a1109
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.22_-0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-0.22_-0.32", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.22_-0.32", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 138.46981384424615, "binding_energy_gs": 17.20116474774861, "distance": 3.271874999999998}


unique_id: 9605c8fdc0b078940bdbdf31d97f837c
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.32_0.4", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-Iz-0.32_0.4", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.32_0.4", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 138.3876014332644, "binding_energy_gs": 17.11894009922557, "distance": 3.271153485328714}


unique_id: 7eeba5bad271c1d8fe236ce7121d3db4
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0.7_0.52", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-0.7_0.52", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0.7_0.52", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 138.10886636670205, "binding_energy_gs": 16.98690710137302, "distance": 3.289156250000005}


unique_id: b06a9c74528f67b20e421307d90dc84e
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.29_0.39", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz-0.29_0.39", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.29_0.39", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 138.00082106534657, "binding_energy_gs": 16.87882327776442, "distance": 3.303247235328719}


unique_id: ee26374439781e23ea29dbfa0248bdbf
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.5_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-Iz-0.5_-0.01", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.5_-0.01", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 5, "layer_group": "p11a", "space_group_number": 7, "space_group": "Pc", "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": 1509506, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 137.96852273136219, "binding_energy_gs": 16.70004681167871, "distance": 3.3205284853287154}


unique_id: cf13b4520a9192a8c802f5413ef819bb
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.29_0.28", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz-0.29_0.28", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.29_0.28", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 137.86837506023386, "binding_energy_gs": 16.599516142559345, "distance": 3.3106534853287144}


unique_id: b224bf7b420cd37f275eb2eb98efdd2c
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-0_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 4, "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 7 4 9 8 3 6 5]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 137.74646024339506, "binding_energy_gs": 16.478317277947404, "distance": 3.3212500000000027}


unique_id: 7ec3ebb3847e1b1b2e90f4d07bb8bc61
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.21_0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz-0.21_0.34", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.21_0.34", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 137.63919654897214, "binding_energy_gs": 16.371312357956977, "distance": 3.3402784853287137}


unique_id: eba7e047c11c4e07fa63c0fdebab11b2
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.78_0.57", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-Iz-0.78_0.57", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.78_0.57", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 137.47004548568876, "binding_energy_gs": 16.20166658843165, "distance": 3.3600284853287192}


unique_id: f667965694b956ec2d65a4a9119e20db
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.78_0.57", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz-0.78_0.57", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.78_0.57", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 137.37660847218126, "binding_energy_gs": 16.108274514602034, "distance": 3.3600284853287192}


unique_id: 73da133d6cd5647fce9f35c3802f9b7c
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0.78_0.57", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-0.78_0.57", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0.78_0.57", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 137.29026725865668, "binding_energy_gs": 16.02176646025491, "distance": 3.380499999999998}


unique_id: f42efe3eeb85a2f856a8728ccc8093d2
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0.5_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-0.5_-0.01", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0.5_-0.01", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 136.28255976351394, "binding_energy_gs": 15.014077932301754, "distance": 3.489124999999998}


unique_id: 385f5d216a29ca2df3e6059cabfe97d9
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.78_0.57", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-0.78_0.57", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.78_0.57", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 135.6421315348371, "binding_energy_gs": 14.373763401796605, "distance": 3.558250000000001}


unique_id: 2a8479c071f0e474c990ff284683e9b8
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz--0.29_0.29", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-Iz--0.29_0.29", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz--0.29_0.29", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 135.23835365602852, "binding_energy_gs": 13.969853033610056, "distance": 3.636528485328718}


unique_id: c7ebc932aac8478331a780d284c83daf
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz--0.13_0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz--0.13_0.34", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz--0.13_0.34", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 135.0841484869923, "binding_energy_gs": 13.815836720027884, "distance": 3.6464034853287153}


unique_id: 76c9a525cc8100f27badf33c4c0685ad
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.58_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-0.58_-0.01", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.58_-0.01", "number_of_layers": 2, "nspecies": 4, "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 7 4 9 8 3 6 5]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1509506, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 134.9901525918749, "binding_energy_gs": 13.722180208932842, "distance": 3.6569999999999965}


unique_id: f5855bdad5ad8b9c79d7afcc2f27e983
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1--0.37_0.93", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1--0.37_0.93", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1--0.37_0.93", "number_of_layers": 2, "nspecies": 4, "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 7 4 9 8 3 6 5]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1509506, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 134.95649845730193, "binding_energy_gs": 13.688753179161253, "distance": 3.6569999999999965}


unique_id: 1a66f30744d50745d43596fa9697a9b3
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.66_-0.64", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-Iz-0.66_-0.64", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0.66_-0.64", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 134.92216470371346, "binding_energy_gs": 13.65374017630369, "distance": 3.6760284853287146}


unique_id: 89aed196b6ce2747dad7e687a3c97e75
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.21_0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-0.21_0.34", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.21_0.34", "number_of_layers": 2, "nspecies": 4, "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 7 4 9 8 3 6 5]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1509506, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 134.89763811501888, "binding_energy_gs": 13.629439963526274, "distance": 3.6767499999999984}


unique_id: 91fd7f8bcbd455fe4291ff434a97d416
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.58_-0.41", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz-0.58_-0.41", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.58_-0.41", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 134.8706101838079, "binding_energy_gs": 13.602840025331549, "distance": 3.6760284853287146}


unique_id: b10710852744236d4ae3d6e8191c1386
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz--0.02_0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz--0.02_0.31", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz--0.02_0.31", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 134.80296136365266, "binding_energy_gs": 13.534572916845988, "distance": 3.6859034853287156}


unique_id: 3594c7b3253b9ee9cd7dcf49c189d748
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0.96_-0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-0.96_-0.35", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0.96_-0.35", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 134.80135722755378, "binding_energy_gs": 13.533336978617537, "distance": 3.6767499999999984}


unique_id: d19145931e91ab79e5b6f12bf21bcfe3
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.24_-0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz-0.24_-0.02", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz-0.24_-0.02", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 134.80046322538936, "binding_energy_gs": 13.532739933903061, "distance": 3.6760284853287146}


unique_id: 80dd5320f59af9bee28ac699c23c70b2
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz--0.68_0.96", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-Iz--0.68_0.96", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-Iz--0.68_0.96", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 134.79956171650082, "binding_energy_gs": 13.53166074850155, "distance": 3.6760284853287146}


unique_id: f6771762a947652fec9a95b939d329f4
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0.36_0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-0.36_0.31", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-0.36_0.31", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 134.7073862562105, "binding_energy_gs": 13.43962731930354, "distance": 3.696499999999997}


unique_id: aaaaa13c31b288c40861c577c7bbc06e
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.94_-0.36", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-0.94_-0.36", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.94_-0.36", "number_of_layers": 2, "nspecies": 4, "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, "cod_id": 1509506, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 134.69311070524054, "binding_energy_gs": 13.424536304714241, "distance": 3.686625000000003}


unique_id: eb39da5779cb6d6fbf4f42db5b76e180
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.29_0.28", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2--1_0_0_-1-0.29_0.28", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2--1_0_0_-1-0.29_0.28", "number_of_layers": 2, "nspecies": 4, "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 7 4 9 8 3 6 5]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1509506, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 134.43462086733757, "binding_energy_gs": 13.166522837766713, "distance": 3.735999999999997}


unique_id: 490f7e5806dc33d9d3568c9566649257
username: jensj
key_value_pairs:
  {"uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/AgVP2Se6/AgVP2Se6-f686893f02e6/AgP2Se6V-2-1_0_0_1-Iz-0_0", "stoichiometry": "ABC2D6", "monolayer_uid": "AgVP2Se6-f686893f02e6", "bilayer_uid": "AgVP2Se6-f686893f02e6-2-1_0_0_1-Iz-0_0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 4, "layer_group": "p11m", "space_group_number": 6, "space_group": "Pm", "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": 1509506, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 134.06226102142867, "binding_energy_gs": 12.793833591961693, "distance": 3.7649034853287127}


unique_id: 9e3fc209ccf6419fddac8f8328a647d8
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "BiCuP2Se6-0e28aa0ec195", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/BiCuP2Se6/BiCuP2Se6-0e28aa0ec195", "stoichiometry": "ABC2D6", "monolayer_uid": "BiCuP2Se6-0e28aa0ec195", "number_of_layers": 1, "nspecies": 4, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[0 1 1 1 4 4 4 7 8 9]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 4327329, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 1.101, "gap_pbe_dir": 1.192, "gap_pbe_nosoc": 1.347, "gap_pbe_dir_nosoc": 1.459, "dipz": -0.056}


unique_id: 744b047faddc3894c42de2ce7512b060
username: jensj
key_value_pairs:
  {"uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/BiCuP2Se6/BiCuP2Se6-0e28aa0ec195/BiCuP2Se6-2--1_0_0_-1-0_0", "stoichiometry": "ABC2D6", "monolayer_uid": "BiCuP2Se6-0e28aa0ec195", "bilayer_uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1-0_0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  1  1  4  4  4  7  8  9 10 11 11 11 14 14 14 17 18 19]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 4327329, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 24.142751426321226, "binding_energy_gs": 13.092141363682682, "distance": 3.7665248819443917}


unique_id: 37a39ab7368a434fbf0e806085b53505
username: jensj
key_value_pairs:
  {"uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1-0.04_-0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/BiCuP2Se6/BiCuP2Se6-0e28aa0ec195/M.BiCuP2Se6-2--1_0_0_-1-0.04_-0.02", "stoichiometry": "ABC2D6", "monolayer_uid": "BiCuP2Se6-0e28aa0ec195", "bilayer_uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1-0.04_-0.02", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327329, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 31.484393907516576, "binding_energy_gs": 20.435195066644663, "distance": 3.1429284529116757}


unique_id: 55e7ab585802afbe4bffe37e487343b5
username: jensj
key_value_pairs:
  {"uid": "BiCuP2Se6-0e28aa0ec195-2-1_0_0_1-0.68_-0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/BiCuP2Se6/BiCuP2Se6-0e28aa0ec195/M.BiCuP2Se6-2-1_0_0_1-0.68_-0.34", "stoichiometry": "ABC2D6", "monolayer_uid": "BiCuP2Se6-0e28aa0ec195", "bilayer_uid": "BiCuP2Se6-0e28aa0ec195-2-1_0_0_1-0.68_-0.34", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327329, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 30.717044093289957, "binding_energy_gs": 19.666201284241115, "distance": 3.230552368401966}


unique_id: bbf93b025b4ed35daac5709907e5c192
username: jensj
key_value_pairs:
  {"uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1-0.32_-0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/BiCuP2Se6/BiCuP2Se6-0e28aa0ec195/M.BiCuP2Se6-2--1_0_0_-1-0.32_-0.66", "stoichiometry": "ABC2D6", "monolayer_uid": "BiCuP2Se6-0e28aa0ec195", "bilayer_uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1-0.32_-0.66", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327329, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 30.64615202851672, "binding_energy_gs": 19.595262161317333, "distance": 3.2575135731682074}


unique_id: 1ba6d6b53642ab06c9f02619e059a11c
username: jensj
key_value_pairs:
  {"uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1-0.66_-0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/BiCuP2Se6/BiCuP2Se6-0e28aa0ec195/BiCuP2Se6-2--1_0_0_-1-0.66_-0.02", "stoichiometry": "ABC2D6", "monolayer_uid": "BiCuP2Se6-0e28aa0ec195", "bilayer_uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1-0.66_-0.02", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327329, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 28.667227513097632, "binding_energy_gs": 17.616423541466894, "distance": 3.2812231961520233}


unique_id: 43734c37100de509d1a427b13add04a7
username: jensj
key_value_pairs:
  {"uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/BiCuP2Se6/BiCuP2Se6-0e28aa0ec195/BiCuP2Se6-2--1_0_0_-1-0.33_-0.33", "stoichiometry": "ABC2D6", "monolayer_uid": "BiCuP2Se6-0e28aa0ec195", "bilayer_uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1-0.33_-0.33", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  1  1  4  4  4  7  8  9 10 11 11 11 14 14 14 17 18 19]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 4327329, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 23.821131711307842, "binding_energy_gs": 12.771678428660811, "distance": 3.7867457855190736}


unique_id: cf70a3a8b0d84a21e27c18670d4b79c5
username: jensj
key_value_pairs:
  {"uid": "BiCuP2Se6-0e28aa0ec195-2-1_0_0_1-0.37_-0.62", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/BiCuP2Se6/BiCuP2Se6-0e28aa0ec195/BiCuP2Se6-2-1_0_0_1-0.37_-0.62", "stoichiometry": "ABC2D6", "monolayer_uid": "BiCuP2Se6-0e28aa0ec195", "bilayer_uid": "BiCuP2Se6-0e28aa0ec195-2-1_0_0_1-0.37_-0.62", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327329, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 23.873197336152288, "binding_energy_gs": 12.822464018870244, "distance": 3.780005484327514}


unique_id: ab95608fa6db2f1464ff016d9b61017b
username: jensj
key_value_pairs:
  {"uid": "BiCuP2Se6-0e28aa0ec195-2-1_0_0_1-0.01_-0.37", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/BiCuP2Se6/BiCuP2Se6-0e28aa0ec195/M.BiCuP2Se6-2-1_0_0_1-0.01_-0.37", "stoichiometry": "ABC2D6", "monolayer_uid": "BiCuP2Se6-0e28aa0ec195", "bilayer_uid": "BiCuP2Se6-0e28aa0ec195-2-1_0_0_1-0.01_-0.37", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327329, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 30.25894618420487, "binding_energy_gs": 19.208212702629904, "distance": 3.2575135731682074}


unique_id: e6fdf1a2158678fc47650dbe08671479
username: jensj
key_value_pairs:
  {"uid": "BiCuP2Se6-0e28aa0ec195-2-1_0_0_1-0.67_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/BiCuP2Se6/BiCuP2Se6-0e28aa0ec195/M.BiCuP2Se6-2-1_0_0_1-0.67_-0.67", "stoichiometry": "ABC2D6", "monolayer_uid": "BiCuP2Se6-0e28aa0ec195", "bilayer_uid": "BiCuP2Se6-0e28aa0ec195-2-1_0_0_1-0.67_-0.67", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  1  1  4  4  4  7  8  9 10 11 11 11 14 14 14 17 18 19]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 4327329, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 25.469353992305834, "binding_energy_gs": 14.418308440517777, "distance": 3.709113753002775}


unique_id: f7e309c765cd2ebcc25acfdbcba70a52
username: jensj
key_value_pairs:
  {"uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1-0.67_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/BiCuP2Se6/BiCuP2Se6-0e28aa0ec195/BiCuP2Se6-2--1_0_0_-1-0.67_-0.67", "stoichiometry": "ABC2D6", "monolayer_uid": "BiCuP2Se6-0e28aa0ec195", "bilayer_uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1-0.67_-0.67", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  1  1  4  4  4  7  8  9 10 11 11 11 14 14 14 17 18 19]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 4327329, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 23.365717987221743, "binding_energy_gs": 12.31527881511605, "distance": 3.8406681950515633}


unique_id: 27dfb8180a40351bda6bcc6dcc39f31b
username: jensj
key_value_pairs:
  {"uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1--0.35_0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/BiCuP2Se6/BiCuP2Se6-0e28aa0ec195/M.BiCuP2Se6-2--1_0_0_-1--0.35_0.3", "stoichiometry": "ABC2D6", "monolayer_uid": "BiCuP2Se6-0e28aa0ec195", "bilayer_uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1--0.35_0.3", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327329, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 29.7768206494144, "binding_energy_gs": 18.725611298210637, "distance": 3.2575135731682074}


unique_id: 732607b8fcc6e63a57ea16d031c25a40
username: jensj
key_value_pairs:
  {"uid": "BiCuP2Se6-0e28aa0ec195-2-1_0_0_1-0.68_-0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/BiCuP2Se6/BiCuP2Se6-0e28aa0ec195/M.BiCuP2Se6-2-1_0_0_1-0.68_-0.32", "stoichiometry": "ABC2D6", "monolayer_uid": "BiCuP2Se6-0e28aa0ec195", "bilayer_uid": "BiCuP2Se6-0e28aa0ec195-2-1_0_0_1-0.68_-0.32", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327329, "gap_pbe": 0.97, "gap_pbe_dir": 1.087, "gap_pbe_nosoc": 1.183, "gap_pbe_dir_nosoc": 1.313, "dipz": 0.007, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 29.673270557670207, "binding_energy_gs": 19.75903897943483, "distance": 3.2238178389545666}


unique_id: 65433139881e4695b8c320e461199960
username: jensj
key_value_pairs:
  {"uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1-0.34_-0.65", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/BiCuP2Se6/BiCuP2Se6-0e28aa0ec195/M.BiCuP2Se6-2--1_0_0_-1-0.34_-0.65", "stoichiometry": "ABC2D6", "monolayer_uid": "BiCuP2Se6-0e28aa0ec195", "bilayer_uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1-0.34_-0.65", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327329, "gap_pbe": 0.984, "gap_pbe_dir": 1.095, "gap_pbe_nosoc": 1.184, "gap_pbe_dir_nosoc": 1.334, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 29.63152444419897, "binding_energy_gs": 19.67190017850393, "distance": 3.2546772139545688}


unique_id: 5293b3afc50c09515e93dcedf8f6b536
username: jensj
key_value_pairs:
  {"uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1-0.66_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/BiCuP2Se6/BiCuP2Se6-0e28aa0ec195/M.BiCuP2Se6-2--1_0_0_-1-0.66_0", "stoichiometry": "ABC2D6", "monolayer_uid": "BiCuP2Se6-0e28aa0ec195", "bilayer_uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1-0.66_0", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327329, "gap_pbe": 0.984, "gap_pbe_dir": 1.095, "gap_pbe_nosoc": 1.184, "gap_pbe_dir_nosoc": 1.334, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 29.631295690015538, "binding_energy_gs": 19.673084930274204, "distance": 3.2546772139545688}


unique_id: 3575ee438ffbf2240605444e9fde4c8c
username: jensj
key_value_pairs:
  {"uid": "BiCuP2Se6-0e28aa0ec195-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/BiCuP2Se6/BiCuP2Se6-0e28aa0ec195/M.BiCuP2Se6-2-1_0_0_1-0.5_0", "stoichiometry": "ABC2D6", "monolayer_uid": "BiCuP2Se6-0e28aa0ec195", "bilayer_uid": "BiCuP2Se6-0e28aa0ec195-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 5, "layer_group": "p11a", "space_group_number": 7, "space_group": "Pc", "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": false, "cod_id": 4327329, "with_props": false, "slide_stability": "None", "binding_energy_zscan": 29.04062093512484, "binding_energy_gs": 17.989350396925307, "distance": 3.3451374886584944}


unique_id: 4543db22a24e907a751af05a221221e2
username: jensj
key_value_pairs:
  {"uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1-0.63_-0.38", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/ABC2D6/BiCuP2Se6/BiCuP2Se6-0e28aa0ec195/M.BiCuP2Se6-2--1_0_0_-1-0.63_-0.38", "stoichiometry": "ABC2D6", "monolayer_uid": "BiCuP2Se6-0e28aa0ec195", "bilayer_uid": "BiCuP2Se6-0e28aa0ec195-2--1_0_0_-1-0.63_-0.38", "number_of_layers": 2, "nspecies": 4, "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": false, "cod_id": 4327329, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 25.38905542136529, "binding_energy_gs": 14.33828534059165, "distance": 3.7158540541943346}


