# systems

unique_id: 6784f25aab5e2e3ce1557a733a769a49
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "C2-a6735a4a3797", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/A/C/C2-a6735a4a3797", "stoichiometry": "A", "monolayer_uid": "C2-a6735a4a3797", "number_of_layers": 1, "nspecies": 1, "layer_group_number": 80, "layer_group": "p6/mmm", "space_group_number": 191, "space_group": "P6/mmm", "equivalent_atoms": "[0 0]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 9012705, "icsd_id": 96620, "ehull": -0.007391614814171277, "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: d1358bb63f515ab517fe41a44037ab69
username: jensj
key_value_pairs:
  {"uid": "C2-a6735a4a3797-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/A/C/C2-a6735a4a3797/C2-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A", "monolayer_uid": "C2-a6735a4a3797", "bilayer_uid": "C2-a6735a4a3797-2-1_0_0_1--0.67_-0.33", "number_of_layers": 2, "nspecies": 1, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 1 0]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 9012705, "icsd_id": 96620, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 18.982777405224635, "binding_energy_gs": 16.70872017491613, "distance": 3.515625005542817}


unique_id: 52b0bd0aac55d63a77adbf710ab70874
username: jensj
key_value_pairs:
  {"uid": "C2-a6735a4a3797-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/A/C/C2-a6735a4a3797/C2-2-1_0_0_1-0_0", "stoichiometry": "A", "monolayer_uid": "C2-a6735a4a3797", "bilayer_uid": "C2-a6735a4a3797-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 1, "layer_group_number": 80, "layer_group": "p6/mmm", "space_group_number": 191, "space_group": "P6/mmm", "equivalent_atoms": "[0 0 0 0]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 9012705, "icsd_id": 96620, "gap_pbe": 0.383, "gap_pbe_dir": 0.383, "gap_pbe_nosoc": 0.384, "gap_pbe_dir_nosoc": 0.384, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 17.27147416645007, "binding_energy_gs": 14.737528803792987, "distance": 3.675000007256055}


unique_id: dd627b6b3c21942c2641371a9af450cc
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "C2H2O2Ti3-b2d22251cb52", "folder": "/home/niflheim2/cmr/WIP/stacking/tree/tree-newmats/A2B2C2D3/C2H2O2Ti3/C2H2O2Ti3-b2d22251cb52", "stoichiometry": "A2B2C2D3", "monolayer_uid": "C2H2O2Ti3-b2d22251cb52", "number_of_layers": 1, "nspecies": 4, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 1 3 3 5 5 7 7]", "has_inversion_symmetry": false, "magnetic": false, "ehull": 0.1233285576219656, "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: ed368abfbde514e613a590c72e70a3a4
username: jensj
key_value_pairs:
  {"uid": "C2H2O2Ti3-b2d22251cb52-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree/tree-newmats/A2B2C2D3/C2H2O2Ti3/C2H2O2Ti3-b2d22251cb52/C2H2O2Ti3-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "A2B2C2D3", "monolayer_uid": "C2H2O2Ti3-b2d22251cb52", "bilayer_uid": "C2H2O2Ti3-b2d22251cb52-2--1_0_0_-1-Iz--0.67_-0.33", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 67.05125309388822, "binding_energy_gs": 50.52655615749921, "distance": 0.45058966090611463}


unique_id: b221d6eeae5c908847f70b960deda2d0
username: jensj
key_value_pairs:
  {"uid": "C2H2O2Ti3-b2d22251cb52-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree/tree-newmats/A2B2C2D3/C2H2O2Ti3/C2H2O2Ti3-b2d22251cb52/C2H2O2Ti3-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A2B2C2D3", "monolayer_uid": "C2H2O2Ti3-b2d22251cb52", "bilayer_uid": "C2H2O2Ti3-b2d22251cb52-2-1_0_0_1--0.67_-0.33", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 69, "layer_group": "p3m1", "space_group_number": 156, "space_group": "P3m1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 62.67958272432822, "binding_energy_gs": 46.1680805222924, "distance": 0.5561025514374016}


unique_id: 836bfa9b2544244e53e62ebb88530aad
username: jensj
key_value_pairs:
  {"uid": "C2H2O2Ti3-b2d22251cb52-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree/tree-newmats/A2B2C2D3/C2H2O2Ti3/C2H2O2Ti3-b2d22251cb52/C2H2O2Ti3-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "A2B2C2D3", "monolayer_uid": "C2H2O2Ti3-b2d22251cb52", "bilayer_uid": "C2H2O2Ti3-b2d22251cb52-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 4, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 59.244382853281174, "binding_energy_gs": 42.66426022043819, "distance": 0.6505650460914296}


unique_id: 5d3bb050f40fa18eafd92e6b00d4b0ba
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "C2F2Hf3-f3d4a4a7dde4", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2F2Hf3/C2F2Hf3-f3d4a4a7dde4", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Hf3-f3d4a4a7dde4", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 1 3 3 5 5]", "has_inversion_symmetry": false, "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: bd7e40617fdc2efc5e649764fcb5c9bc
username: jensj
key_value_pairs:
  {"uid": "C2F2Hf3-f3d4a4a7dde4-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2F2Hf3/C2F2Hf3-f3d4a4a7dde4/C2F2Hf3-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Hf3-f3d4a4a7dde4", "bilayer_uid": "C2F2Hf3-f3d4a4a7dde4-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 40.19677526100169, "binding_energy_gs": 32.14498943401156, "distance": 2.0299422337352}


unique_id: e3a3e3193df32bd9b5d206c99f3d4935
username: jensj
key_value_pairs:
  {"uid": "C2F2Hf3-f3d4a4a7dde4-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2F2Hf3/C2F2Hf3-f3d4a4a7dde4/C2F2Hf3-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Hf3-f3d4a4a7dde4", "bilayer_uid": "C2F2Hf3-f3d4a4a7dde4-2-1_0_0_1--0.67_-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  8  9 10 11 12 13]", "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 37.61549738040192, "binding_energy_gs": 29.55698792274754, "distance": 2.099475358697921}


unique_id: 5d8769a526e8704bf159b6b62a9396fd
username: jensj
key_value_pairs:
  {"uid": "C2F2Hf3-f3d4a4a7dde4-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2F2Hf3/C2F2Hf3-f3d4a4a7dde4/C2F2Hf3-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Hf3-f3d4a4a7dde4", "bilayer_uid": "C2F2Hf3-f3d4a4a7dde4-2--1_0_0_-1-Iz--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 34.63477795033142, "binding_energy_gs": 26.57824037930461, "distance": 2.2186750014911585}


unique_id: ec2a88ab1297ff245eb4c48b74769057
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "C2F2Ti3-f3bb81b9399e", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2F2Ti3/C2F2Ti3-f3bb81b9399e", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Ti3-f3bb81b9399e", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 1 3 3 5 5]", "has_inversion_symmetry": false, "magnetic": false, "ehull": 0.002975813087765067, "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: d3ddbf7e700d870b6bef0d2e2b0909f6
username: jensj
key_value_pairs:
  {"uid": "C2F2Ti3-f3bb81b9399e-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2F2Ti3/C2F2Ti3-f3bb81b9399e/C2F2Ti3-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Ti3-f3bb81b9399e", "bilayer_uid": "C2F2Ti3-f3bb81b9399e-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 45.479499710746644, "binding_energy_gs": 30.122714631052794, "distance": 2.235057296671675}


unique_id: 94459432a7553b7becfd622702af6638
username: jensj
key_value_pairs:
  {"uid": "C2F2Ti3-f3bb81b9399e-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2F2Ti3/C2F2Ti3-f3bb81b9399e/C2F2Ti3-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Ti3-f3bb81b9399e", "bilayer_uid": "C2F2Ti3-f3bb81b9399e-2-1_0_0_1--0.67_-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  8  9 10 11 12 13]", "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 44.523641240535774, "binding_energy_gs": 29.170532008431646, "distance": 2.2637568364562934}


unique_id: d50a1cfe31b6675318870651a19dbb49
username: jensj
key_value_pairs:
  {"uid": "C2F2Ti3-f3bb81b9399e-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2F2Ti3/C2F2Ti3-f3bb81b9399e/C2F2Ti3-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Ti3-f3bb81b9399e", "bilayer_uid": "C2F2Ti3-f3bb81b9399e-2--1_0_0_-1-Iz--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 43.44134027289675, "binding_energy_gs": 28.08667767156356, "distance": 2.3020282831919783}


unique_id: 803d6e281e2b12b8a6e0a6a4ce41f575
username: jensj
key_value_pairs:
  {"uid": "C2F2Ti3-f3bb81b9399e-2--1_0_0_-1-Iz-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2F2Ti3/C2F2Ti3-f3bb81b9399e/C2F2Ti3-2--1_0_0_-1-Iz-0_0", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Ti3-f3bb81b9399e", "bilayer_uid": "C2F2Ti3-f3bb81b9399e-2--1_0_0_-1-Iz-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 36.24754431086819, "binding_energy_gs": 20.891673520413107, "distance": 2.7899597564113083}


unique_id: 1ef0cba8bb2dd64fb117fe1ac2e46d0e
username: jensj
key_value_pairs:
  {"uid": "C2F2Ti3-f3bb81b9399e-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2F2Ti3/C2F2Ti3-f3bb81b9399e/C2F2Ti3-2-1_0_0_1-0_0", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Ti3-f3bb81b9399e", "bilayer_uid": "C2F2Ti3-f3bb81b9399e-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 2 3 4 5 6 0 2 1 4 3 6 5]", "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 36.15677308531033, "binding_energy_gs": 20.796491146282555, "distance": 2.7995247286186977}


unique_id: 86d738261a1363ef7dcebb94985e2257
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "C2F2Zr3-1b03a913dc8d", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2F2Zr3/C2F2Zr3-1b03a913dc8d", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Zr3-1b03a913dc8d", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 1 3 3 5 5]", "has_inversion_symmetry": false, "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: 7667897e45ea2599ce65495b401084a8
username: jensj
key_value_pairs:
  {"uid": "C2F2Zr3-1b03a913dc8d-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2F2Zr3/C2F2Zr3-1b03a913dc8d/C2F2Zr3-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Zr3-1b03a913dc8d", "bilayer_uid": "C2F2Zr3-1b03a913dc8d-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 41.00844254341788, "binding_energy_gs": 33.25924226748388, "distance": 1.9804565919132564}


unique_id: 45b25cdaf6f155f78b566ef364c8f2cb
username: jensj
key_value_pairs:
  {"uid": "C2F2Zr3-1b03a913dc8d-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2F2Zr3/C2F2Zr3-1b03a913dc8d/C2F2Zr3-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Zr3-1b03a913dc8d", "bilayer_uid": "C2F2Zr3-1b03a913dc8d-2-1_0_0_1--0.67_-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  8  9 10 11 12 13]", "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 38.05112952739874, "binding_energy_gs": 30.29419656633983, "distance": 2.070146000074214}


unique_id: 16bb6a6c052b1a5e13e6563a6e27f3d9
username: jensj
key_value_pairs:
  {"uid": "C2F2Zr3-1b03a913dc8d-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2F2Zr3/C2F2Zr3-1b03a913dc8d/C2F2Zr3-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Zr3-1b03a913dc8d", "bilayer_uid": "C2F2Zr3-1b03a913dc8d-2--1_0_0_-1-Iz--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 34.88027496399516, "binding_energy_gs": 27.118871958032347, "distance": 2.199697367417908}


unique_id: 44a246b36560b15bd1740950cca3e27d
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "C2O2Nb3-1c8352a388fb", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2O2Nb3/C2O2Nb3-1c8352a388fb", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2Nb3-1c8352a388fb", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 1 3 3 5 5]", "has_inversion_symmetry": false, "magnetic": false, "ehull": 0.11414882665342607, "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: 5b682fa28a1cb94fd1b281ed0453ee10
username: jensj
key_value_pairs:
  {"uid": "C2O2Nb3-1c8352a388fb-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2O2Nb3/C2O2Nb3-1c8352a388fb/C2Nb3O2-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2Nb3-1c8352a388fb", "bilayer_uid": "C2O2Nb3-1c8352a388fb-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 52.50520876890357, "binding_energy_gs": 44.64713112997423, "distance": 2.242611543330435}


unique_id: 7e769ae308276fffb3091bcc7e20e36d
username: jensj
key_value_pairs:
  {"uid": "C2O2Nb3-1c8352a388fb-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2O2Nb3/C2O2Nb3-1c8352a388fb/C2Nb3O2-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2Nb3-1c8352a388fb", "bilayer_uid": "C2O2Nb3-1c8352a388fb-2-1_0_0_1--0.67_-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  8  9 10 11 12 13]", "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 48.73318535132865, "binding_energy_gs": 40.786176853394394, "distance": 2.3380200957905064}


unique_id: 82ac5fd310899169acf0dda03612750f
username: jensj
key_value_pairs:
  {"uid": "C2O2Nb3-1c8352a388fb-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2O2Nb3/C2O2Nb3-1c8352a388fb/C2Nb3O2-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2Nb3-1c8352a388fb", "bilayer_uid": "C2O2Nb3-1c8352a388fb-2--1_0_0_-1-Iz--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 45.53155898048396, "binding_energy_gs": 37.61975868124923, "distance": 2.4334344755318345}


unique_id: 2a9695149e1518629540808f7353bd3d
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "C2O2Ta3-07c22c9fa37d", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2O2Ta3/C2O2Ta3-07c22c9fa37d", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2Ta3-07c22c9fa37d", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 1 3 3 5 5]", "has_inversion_symmetry": false, "magnetic": false, "ehull": 0.11733410037247305, "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: f39414caef2738eeeacdfd7ea55ecc75
username: jensj
key_value_pairs:
  {"uid": "C2O2Ta3-07c22c9fa37d-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2O2Ta3/C2O2Ta3-07c22c9fa37d/C2O2Ta3-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2Ta3-07c22c9fa37d", "bilayer_uid": "C2O2Ta3-07c22c9fa37d-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 52.566009338887326, "binding_energy_gs": 45.00374467163225, "distance": 2.296576120596505}


unique_id: 61c8b65dae3424baa7a7031cdd1c5eac
username: jensj
key_value_pairs:
  {"uid": "C2O2Ta3-07c22c9fa37d-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2O2Ta3/C2O2Ta3-07c22c9fa37d/C2O2Ta3-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2Ta3-07c22c9fa37d", "bilayer_uid": "C2O2Ta3-07c22c9fa37d-2-1_0_0_1--0.67_-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  8  9 10 11 12 13]", "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 49.509068901206575, "binding_energy_gs": 42.13145573973471, "distance": 2.3735419337387818}


unique_id: d55b321699718ed23d877778eeec3c1b
username: jensj
key_value_pairs:
  {"uid": "C2O2Ta3-07c22c9fa37d-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2O2Ta3/C2O2Ta3-07c22c9fa37d/C2O2Ta3-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2Ta3-07c22c9fa37d", "bilayer_uid": "C2O2Ta3-07c22c9fa37d-2--1_0_0_-1-Iz--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 46.66115556632033, "binding_energy_gs": 39.296414882927785, "distance": 2.45050772887555}


unique_id: 9f4d59628bb849e83a053ceaf364ca13
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "C2O2Ti3-c1064636fe0d", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2O2Ti3/C2O2Ti3-c1064636fe0d", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2Ti3-c1064636fe0d", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 1 3 3 5 5]", "has_inversion_symmetry": false, "magnetic": false, "ehull": 0.17527403622450688, "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: 1b0234be095087f6d92f4a648cea223a
username: jensj
key_value_pairs:
  {"uid": "C2O2Ti3-c1064636fe0d-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2O2Ti3/C2O2Ti3-c1064636fe0d/C2O2Ti3-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2Ti3-c1064636fe0d", "bilayer_uid": "C2O2Ti3-c1064636fe0d-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 57.15930404319924, "binding_energy_gs": 40.42612998392014, "distance": 2.3817730928252168}


unique_id: b9c00103f05f613e56b0f8e20b206af8
username: jensj
key_value_pairs:
  {"uid": "C2O2Ti3-c1064636fe0d-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2O2Ti3/C2O2Ti3-c1064636fe0d/C2O2Ti3-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2Ti3-c1064636fe0d", "bilayer_uid": "C2O2Ti3-c1064636fe0d-2-1_0_0_1--0.67_-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  8  9 10 11 12 13]", "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 54.97046063759643, "binding_energy_gs": 38.203037230125844, "distance": 2.456847699483152}


unique_id: 9cb660f7b4cb0f8383ca6215cddb3acf
username: jensj
key_value_pairs:
  {"uid": "C2O2Ti3-c1064636fe0d-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/C2O2Ti3/C2O2Ti3-c1064636fe0d/C2O2Ti3-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2Ti3-c1064636fe0d", "bilayer_uid": "C2O2Ti3-c1064636fe0d-2--1_0_0_-1-Iz--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 52.8001157947139, "binding_energy_gs": 36.03155520548647, "distance": 2.5319223061398652}


unique_id: f86cf5537df9257787edffa7584e0593
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "F2N2Sc3-876750fc21e2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/F2N2Sc3/F2N2Sc3-876750fc21e2", "stoichiometry": "A2B2C3", "monolayer_uid": "F2N2Sc3-876750fc21e2", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 1 3 3 5 5]", "has_inversion_symmetry": false, "magnetic": false, "ehull": 0.028984595902306065, "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: d494127f90e2cc5b6c76386e70b21c64
username: jensj
key_value_pairs:
  {"uid": "F2N2Sc3-876750fc21e2-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/F2N2Sc3/F2N2Sc3-876750fc21e2/F2N2Sc3-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "A2B2C3", "monolayer_uid": "F2N2Sc3-876750fc21e2", "bilayer_uid": "F2N2Sc3-876750fc21e2-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 37.94240504588259, "binding_energy_gs": 27.86400854688932, "distance": 2.1840017692987868}


unique_id: f061ad0126c32745d19f4862671be037
username: jensj
key_value_pairs:
  {"uid": "F2N2Sc3-876750fc21e2-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/F2N2Sc3/F2N2Sc3-876750fc21e2/F2N2Sc3-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "F2N2Sc3-876750fc21e2", "bilayer_uid": "F2N2Sc3-876750fc21e2-2-1_0_0_1--0.67_-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  8  9 10 11 12 13]", "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 36.14709077030725, "binding_energy_gs": 26.057261055426096, "distance": 2.2424654003860045}


unique_id: e624fa8ba109443159e494ef8ebbcbad
username: jensj
key_value_pairs:
  {"uid": "F2N2Sc3-876750fc21e2-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/F2N2Sc3/F2N2Sc3-876750fc21e2/F2N2Sc3-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "F2N2Sc3-876750fc21e2", "bilayer_uid": "F2N2Sc3-876750fc21e2-2--1_0_0_-1-Iz--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 34.19498640988334, "binding_energy_gs": 24.101617905846474, "distance": 2.339904785531383}


unique_id: 19f389ecbed2404991b0ad05ca654d22
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "F2N2Y3-1fead58470b2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/F2N2Y3/F2N2Y3-1fead58470b2", "stoichiometry": "A2B2C3", "monolayer_uid": "F2N2Y3-1fead58470b2", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 1 3 3 5 5]", "has_inversion_symmetry": false, "magnetic": false, "ehull": 0.007780714010879652, "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: 75c5d1be805d7f62cf21aa8d531755b0
username: jensj
key_value_pairs:
  {"uid": "F2N2Y3-1fead58470b2-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/F2N2Y3/F2N2Y3-1fead58470b2/F2N2Y3-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "A2B2C3", "monolayer_uid": "F2N2Y3-1fead58470b2", "bilayer_uid": "F2N2Y3-1fead58470b2-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 43.55592987349591, "binding_energy_gs": 34.7452683333816, "distance": 1.8117297846836227}


unique_id: 2e1d5dfdd79a8971c345342528d42d10
username: jensj
key_value_pairs:
  {"uid": "F2N2Y3-1fead58470b2-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/F2N2Y3/F2N2Y3-1fead58470b2/F2N2Y3-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "F2N2Y3-1fead58470b2", "bilayer_uid": "F2N2Y3-1fead58470b2-2-1_0_0_1--0.67_-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  8  9 10 11 12 13]", "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 37.920313525371526, "binding_energy_gs": 29.107105955599547, "distance": 1.9891375073165225}


unique_id: c399b6b28de2cda10b2395106c37a6a7
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "N2O2Hf3-bb4e40ae9164", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/N2O2Hf3/N2O2Hf3-bb4e40ae9164", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2Hf3-bb4e40ae9164", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 1 3 3 5 5]", "has_inversion_symmetry": false, "magnetic": false, "ehull": 0.08787343011056592, "dynamically_stable": "Yes", "gap_pbe": 0.321, "gap_pbe_dir": 0.873, "gap_pbe_nosoc": 0.298, "gap_pbe_dir_nosoc": 0.96, "dipz": -0.0}


unique_id: 921d6984440a106bfc7823ceb1645d78
username: jensj
key_value_pairs:
  {"uid": "N2O2Hf3-bb4e40ae9164-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/N2O2Hf3/N2O2Hf3-bb4e40ae9164/Hf3N2O2-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2Hf3-bb4e40ae9164", "bilayer_uid": "N2O2Hf3-bb4e40ae9164-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.208, "gap_pbe_dir": 0.85, "gap_pbe_nosoc": 0.185, "gap_pbe_dir_nosoc": 0.937, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 51.23706119593736, "binding_energy_gs": 41.28198237085656, "distance": 2.29991876633855}


unique_id: 3c98da4ddb6405f1f7e930022f64f932
username: jensj
key_value_pairs:
  {"uid": "N2O2Hf3-bb4e40ae9164-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/N2O2Hf3/N2O2Hf3-bb4e40ae9164/Hf3N2O2-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2Hf3-bb4e40ae9164", "bilayer_uid": "N2O2Hf3-bb4e40ae9164-2-1_0_0_1--0.67_-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  8  9 10 11 12 13]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.209, "gap_pbe_dir": 0.778, "gap_pbe_nosoc": 0.186, "gap_pbe_dir_nosoc": 0.864, "dipz": -0.005, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 46.9926006383117, "binding_energy_gs": 37.03683003618252, "distance": 2.4445659752847}


unique_id: c842a834dbcc9a6e2ea2aa2de6f3dedc
username: jensj
key_value_pairs:
  {"uid": "N2O2Hf3-bb4e40ae9164-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/N2O2Hf3/N2O2Hf3-bb4e40ae9164/Hf3N2O2-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2Hf3-bb4e40ae9164", "bilayer_uid": "N2O2Hf3-bb4e40ae9164-2--1_0_0_-1-Iz--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.285, "gap_pbe_dir": 0.854, "gap_pbe_nosoc": 0.262, "gap_pbe_dir_nosoc": 0.939, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 42.3366698032156, "binding_energy_gs": 32.38623990080446, "distance": 2.5892131842308466}


unique_id: a923cd1601f57e769bc777556d657d94
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "N2O2Ti3-a61a5475c272", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/N2O2Ti3/N2O2Ti3-a61a5475c272", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2Ti3-a61a5475c272", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 1 3 3 5 5]", "has_inversion_symmetry": false, "magnetic": false, "ehull": 0.03157156183198406, "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: 47a2ff867e456a2941fa6c79d7b2a6df
username: jensj
key_value_pairs:
  {"uid": "N2O2Ti3-a61a5475c272-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/N2O2Ti3/N2O2Ti3-a61a5475c272/N2O2Ti3-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2Ti3-a61a5475c272", "bilayer_uid": "N2O2Ti3-a61a5475c272-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 59.16550475941872, "binding_energy_gs": 39.73890397656823, "distance": 2.449749151352677}


unique_id: 2878bdf4c463d9d0fa4c948173cec180
username: jensj
key_value_pairs:
  {"uid": "N2O2Ti3-a61a5475c272-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/N2O2Ti3/N2O2Ti3-a61a5475c272/N2O2Ti3-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2Ti3-a61a5475c272", "bilayer_uid": "N2O2Ti3-a61a5475c272-2-1_0_0_1--0.67_-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  8  9 10 11 12 13]", "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 57.625274533141926, "binding_energy_gs": 38.185314907645505, "distance": 2.487110381934759}


unique_id: f02ae862cdda4270db8eed4d96cafec6
username: jensj
key_value_pairs:
  {"uid": "N2O2Ti3-a61a5475c272-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/N2O2Ti3/N2O2Ti3-a61a5475c272/N2O2Ti3-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2Ti3-a61a5475c272", "bilayer_uid": "N2O2Ti3-a61a5475c272-2--1_0_0_-1-Iz--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 56.19656150665953, "binding_energy_gs": 36.75359799343955, "distance": 2.543165122284467}


unique_id: 7b66ec5945d9293f5883d6d0db908131
username: jensj
key_value_pairs:
  {"uid": "N2O2Ti3-a61a5475c272-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/N2O2Ti3/N2O2Ti3-a61a5475c272/N2O2Ti3-2-1_0_0_1-0_0", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2Ti3-a61a5475c272", "bilayer_uid": "N2O2Ti3-a61a5475c272-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 2 3 4 5 6 0 2 1 4 3 6 5]", "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 49.19267708591712, "binding_energy_gs": 29.75313348839038, "distance": 2.87011586275511}


unique_id: 9d7142199662d7465d5e52842a970776
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "N2O2Zr3-c317fbd68215", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/N2O2Zr3/N2O2Zr3-c317fbd68215", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2Zr3-c317fbd68215", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 1 3 3 5 5]", "has_inversion_symmetry": false, "magnetic": false, "ehull": 0.09449238711303476, "dynamically_stable": "Yes", "gap_pbe": 0.405, "gap_pbe_dir": 0.781, "gap_pbe_nosoc": 0.403, "gap_pbe_dir_nosoc": 0.801, "dipz": 0.0}


unique_id: 63f88ec242797b212ca3e64da387df19
username: jensj
key_value_pairs:
  {"uid": "N2O2Zr3-c317fbd68215-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/N2O2Zr3/N2O2Zr3-c317fbd68215/N2O2Zr3-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2Zr3-c317fbd68215", "bilayer_uid": "N2O2Zr3-c317fbd68215-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.269, "gap_pbe_dir": 0.749, "gap_pbe_nosoc": 0.267, "gap_pbe_dir_nosoc": 0.768, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 54.529754671690114, "binding_energy_gs": 44.83269039597219, "distance": 2.1867518089875215}


unique_id: 5da8835c3399271f67c1dea55230d578
username: jensj
key_value_pairs:
  {"uid": "N2O2Zr3-c317fbd68215-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B2C3/N2O2Zr3/N2O2Zr3-c317fbd68215/N2O2Zr3-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2Zr3-c317fbd68215", "bilayer_uid": "N2O2Zr3-c317fbd68215-2-1_0_0_1--0.67_-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  8  9 10 11 12 13]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.244, "gap_pbe_dir": 0.634, "gap_pbe_nosoc": 0.242, "gap_pbe_dir_nosoc": 0.654, "dipz": -0.008, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 48.58519065385645, "binding_energy_gs": 38.88812990415321, "distance": 2.3987088644748464}


unique_id: 4639a2a545c44e8c3e857f85f8b16bf4
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "C2F2Y3-3a7aee4bc19d", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/C2F2Y3/C2F2Y3-3a7aee4bc19d", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Y3-3a7aee4bc19d", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 1 3 3 5 5]", "has_inversion_symmetry": false, "magnetic": true, "ehull": 0.16898485284305975, "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: 1469142dcc2a81b3c3ba87d3206f84c0
username: jensj
key_value_pairs:
  {"uid": "C2F2Y3-3a7aee4bc19d-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/C2F2Y3/C2F2Y3-3a7aee4bc19d/C2F2Y3-2-1_0_0_1-0.5_0", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Y3-3a7aee4bc19d", "bilayer_uid": "C2F2Y3-3a7aee4bc19d-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 36, "layer_group": "cm2e", "space_group_number": 39, "space_group": "Aem2", "equivalent_atoms": "[0 1 2 3 4 5 6 0 2 1 4 3 6 5]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "None", "binding_energy_zscan": 32.32159444657978, "binding_energy_gs": 23.92677181209456, "distance": 2.2053749999999734}


unique_id: 868dc2ad665f9c12de2bcbd78a020f59
username: jensj
key_value_pairs:
  {"uid": "C2F2Y3-3a7aee4bc19d-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/C2F2Y3/C2F2Y3-3a7aee4bc19d/C2F2Y3-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Y3-3a7aee4bc19d", "bilayer_uid": "C2F2Y3-3a7aee4bc19d-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 32.148933119550435, "binding_energy_gs": 38.10246332124159, "distance": 1.6635624999999497}


unique_id: bb6ebc5120767e6bb36671cf79b98f45
username: jensj
key_value_pairs:
  {"uid": "C2F2Y3-3a7aee4bc19d-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/C2F2Y3/C2F2Y3-3a7aee4bc19d/C2F2Y3-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Y3-3a7aee4bc19d", "bilayer_uid": "C2F2Y3-3a7aee4bc19d-2--1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 31.090509525388164, "binding_energy_gs": 23.371405230231275, "distance": 2.234999999999962}


unique_id: 577a4c27d8fc3f273d7222d47ffa055b
username: jensj
key_value_pairs:
  {"uid": "C2F2Y3-3a7aee4bc19d-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/C2F2Y3/C2F2Y3-3a7aee4bc19d/C2F2Y3-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "C2F2Y3-3a7aee4bc19d", "bilayer_uid": "C2F2Y3-3a7aee4bc19d-2--1_0_0_-1-Iz--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 26.07872740857743, "binding_energy_gs": 18.23600050511939, "distance": 2.7879999999999665}


unique_id: cc74f268b442ce1e29354d93a1a2e5c4
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "C2O2V3-e21f49107b44", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/C2O2V3/C2O2V3-e21f49107b44", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2V3-e21f49107b44", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 1 3 3 5 5]", "has_inversion_symmetry": false, "magnetic": true, "ehull": 0.18795381824892288, "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: 6738065b3274aa94fa5aecff7bedd8a0
username: jensj
key_value_pairs:
  {"uid": "C2O2V3-e21f49107b44-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/C2O2V3/C2O2V3-e21f49107b44/C2O2V3-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2V3-e21f49107b44", "bilayer_uid": "C2O2V3-e21f49107b44-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 3338.880574265642, "distance": 2.455783472274648}


unique_id: d860f06ddba3b3b6747411cf24b5d039
username: jensj
key_value_pairs:
  {"uid": "C2O2V3-e21f49107b44-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/C2O2V3/C2O2V3-e21f49107b44/C2O2V3-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2V3-e21f49107b44", "bilayer_uid": "C2O2V3-e21f49107b44-2-1_0_0_1--0.67_-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  8  9 10 11 12 13]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 3338.287834117977, "distance": 2.464965408486046}


unique_id: b5d4f7a6635b808f7d9763d9885baf8d
username: jensj
key_value_pairs:
  {"uid": "C2O2V3-e21f49107b44-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/C2O2V3/C2O2V3-e21f49107b44/C2O2V3-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2V3-e21f49107b44", "bilayer_uid": "C2O2V3-e21f49107b44-2--1_0_0_-1-Iz--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 3337.9206900132867, "distance": 2.4650017798801525}


unique_id: 14933854b0bb7c6409100fbb144cbe75
username: jensj
key_value_pairs:
  {"uid": "C2O2V3-e21f49107b44-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/C2O2V3/C2O2V3-e21f49107b44/C2O2V3-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2V3-e21f49107b44", "bilayer_uid": "C2O2V3-e21f49107b44-2--1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 3337.0155212399814, "distance": 2.52952993311869}


unique_id: 2a9ed5c3bbd963bfd3b595d9bd1e5e7d
username: jensj
key_value_pairs:
  {"uid": "C2O2V3-e21f49107b44-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/C2O2V3/C2O2V3-e21f49107b44/C2O2V3-2-1_0_0_1-0.5_0", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2V3-e21f49107b44", "bilayer_uid": "C2O2V3-e21f49107b44-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 36, "layer_group": "cm2e", "space_group_number": 39, "space_group": "Aem2", "equivalent_atoms": "[0 1 2 3 4 5 6 0 2 1 4 3 6 5]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 3336.9258528406763, "distance": 2.538711869330088}


unique_id: ce2733bee6cc281aa670be9b7a12b6bc
username: jensj
key_value_pairs:
  {"uid": "C2O2V3-e21f49107b44-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/C2O2V3/C2O2V3-e21f49107b44/C2O2V3-2-1_0_0_1-0_0", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2V3-e21f49107b44", "bilayer_uid": "C2O2V3-e21f49107b44-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 2 3 4 5 6 0 2 1 4 3 6 5]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 3331.2550951905714, "distance": 2.7968244822842347}


unique_id: 747f54325587d01ac0b26b9a451c4902
username: jensj
key_value_pairs:
  {"uid": "C2O2V3-e21f49107b44-2--1_0_0_-1-Iz-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/C2O2V3/C2O2V3-e21f49107b44/C2O2V3-2--1_0_0_-1-Iz-0_0", "stoichiometry": "A2B2C3", "monolayer_uid": "C2O2V3-e21f49107b44", "bilayer_uid": "C2O2V3-e21f49107b44-2--1_0_0_-1-Iz-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 3331.1605690558, "distance": 2.8060791612838454}


unique_id: 58580c43aa9aa69a8ff02f61aadac1f8
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "N2O2V3-358facb64a22", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/N2O2V3/N2O2V3-358facb64a22", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2V3-358facb64a22", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 1 3 3 5 5]", "has_inversion_symmetry": false, "magnetic": true, "ehull": 0.14147750659615865, "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: 54ff09b64898a6b4fd9a43292c5041ed
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "N2O2V3-358facb64a22-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/N2O2V3/N2O2V3-358facb64a22/N2O2V3-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2V3-358facb64a22", "bilayer_uid": "N2O2V3-358facb64a22-2-1_0_0_1--0.67_-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  8  9 10 11 12 13]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0, "interlayer_magnetic_exchange": -0.0012564548754596672, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 37.222154950888005, "binding_energy_gs": 37.14931128360421, "distance": 2.511499999999982}


unique_id: 43740d765074b21a370bab97c1caf404
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "N2O2V3-358facb64a22-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/N2O2V3/N2O2V3-358facb64a22/N2O2V3-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2V3-358facb64a22", "bilayer_uid": "N2O2V3-358facb64a22-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0, "interlayer_magnetic_exchange": 0.0048721795100163945, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 37.20428962687336, "binding_energy_gs": 37.12975920593638, "distance": 2.5312306669919185}


unique_id: eefb60a4686a71050aef966a61a1f0c7
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "N2O2V3-358facb64a22-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/N2O2V3/N2O2V3-358facb64a22/N2O2V3-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2V3-358facb64a22", "bilayer_uid": "N2O2V3-358facb64a22-2--1_0_0_-1-Iz--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0, "interlayer_magnetic_exchange": -0.0010277266521256934, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 37.069621691148164, "binding_energy_gs": 36.992302475247165, "distance": 2.51148066699192}


unique_id: 79db732099ecf651916169ef0ccc34b4
username: jensj
key_value_pairs:
  {"uid": "N2O2V3-358facb64a22-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/N2O2V3/N2O2V3-358facb64a22/N2O2V3-2-1_0_0_1-0.5_0", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2V3-358facb64a22", "bilayer_uid": "N2O2V3-358facb64a22-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 36, "layer_group": "cm2e", "space_group_number": 39, "space_group": "Aem2", "equivalent_atoms": "[0 1 2 3 4 5 6 0 2 1 4 3 6 5]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 36.04062532357005, "binding_energy_gs": 36.002375727672, "distance": 2.5608749999999834}


unique_id: 1bf53315e58fc49ff7bda83ac3a4ffc4
username: jensj
key_value_pairs:
  {"uid": "N2O2V3-358facb64a22-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/N2O2V3/N2O2V3-358facb64a22/N2O2V3-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2V3-358facb64a22", "bilayer_uid": "N2O2V3-358facb64a22-2--1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 36.00135479610676, "binding_energy_gs": 35.963995691006446, "distance": 2.5707306669919223}


unique_id: 2a05e22d3b074f9ac694915f4d45361b
username: jensj
key_value_pairs:
  {"uid": "N2O2V3-358facb64a22-2--1_0_0_-1-Iz-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/N2O2V3/N2O2V3-358facb64a22/N2O2V3-2--1_0_0_-1-Iz-0_0", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2V3-358facb64a22", "bilayer_uid": "N2O2V3-358facb64a22-2--1_0_0_-1-Iz-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 30.622961559033104, "binding_energy_gs": 30.548385184837887, "distance": 2.8274806669919226}


unique_id: 90d3b979a20a319a9b17d7c800061a76
username: jensj
key_value_pairs:
  {"uid": "N2O2V3-358facb64a22-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C3/N2O2V3/N2O2V3-358facb64a22/N2O2V3-2-1_0_0_1-0_0", "stoichiometry": "A2B2C3", "monolayer_uid": "N2O2V3-358facb64a22", "bilayer_uid": "N2O2V3-358facb64a22-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 2 3 4 5 6 0 2 1 4 3 6 5]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 30.597225410255007, "binding_energy_gs": 30.51905435056111, "distance": 2.8274999999999846}


unique_id: e6134b3b5e2ec63f69c0447e0d4b4b8b
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Al2Mg2Se5-b5f4d201ea6e", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B2C5/Al2Mg2Se5/Al2Mg2Se5-b5f4d201ea6e", "stoichiometry": "A2B2C5", "monolayer_uid": "Al2Mg2Se5-b5f4d201ea6e", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 1 3 3 5 5 7 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 41928, "ehull": 0.0029751417337089414, "dynamically_stable": "Yes", "gap_pbe": 1.114, "gap_pbe_dir": 1.114, "gap_pbe_nosoc": 1.254, "gap_pbe_dir_nosoc": 1.254, "dipz": 0.0}


unique_id: 78d9056b1fd686c9dad33518cedcb7ff
username: jensj
key_value_pairs:
  {"uid": "Al2Mg2Se5-b5f4d201ea6e-2--1_0_0_-1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B2C5/Al2Mg2Se5/Al2Mg2Se5-b5f4d201ea6e/Al2Mg2Se5-2--1_0_0_-1--0.33_-0.67", "stoichiometry": "A2B2C5", "monolayer_uid": "Al2Mg2Se5-b5f4d201ea6e", "bilayer_uid": "Al2Mg2Se5-b5f4d201ea6e-2--1_0_0_-1--0.33_-0.67", "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  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 41928, "gap_pbe": 1.0, "gap_pbe_dir": 1.0, "gap_pbe_nosoc": 1.14, "gap_pbe_dir_nosoc": 1.14, "dipz": 0.001, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 16.979619706255413, "binding_energy_gs": 16.95891962103373, "distance": 3.29450268663426}


unique_id: 5268cc2ffe90cc6f6e58283708cdfb64
username: jensj
key_value_pairs:
  {"uid": "Al2Mg2Se5-b5f4d201ea6e-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B2C5/Al2Mg2Se5/Al2Mg2Se5-b5f4d201ea6e/Al2Mg2Se5-2-1_0_0_1-0_0", "stoichiometry": "A2B2C5", "monolayer_uid": "Al2Mg2Se5-b5f4d201ea6e", "bilayer_uid": "Al2Mg2Se5-b5f4d201ea6e-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 4 3 6 5 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 41928, "gap_pbe": 1.019, "gap_pbe_dir": 1.019, "gap_pbe_nosoc": 1.159, "gap_pbe_dir_nosoc": 1.159, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 16.97820631025084, "binding_energy_gs": 16.957368385554823, "distance": 3.301463900158204}


unique_id: ded4ef549c00b93e85354dd3248b430d
username: jensj
key_value_pairs:
  {"uid": "Al2Mg2Se5-b5f4d201ea6e-2-1_0_0_1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B2C5/Al2Mg2Se5/Al2Mg2Se5-b5f4d201ea6e/Al2Mg2Se5-2-1_0_0_1--0.33_-0.67", "stoichiometry": "A2B2C5", "monolayer_uid": "Al2Mg2Se5-b5f4d201ea6e", "bilayer_uid": "Al2Mg2Se5-b5f4d201ea6e-2-1_0_0_1--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 4 3 6 5 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 41928, "gap_pbe": 0.988, "gap_pbe_dir": 0.988, "gap_pbe_nosoc": 1.128, "gap_pbe_dir_nosoc": 1.128, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 16.92145326371624, "binding_energy_gs": 16.900782723765253, "distance": 3.29450268663426}


unique_id: d0b4f2dc922df046b4326cb2df40b3ca
username: jensj
key_value_pairs:
  {"uid": "Al2Mg2Se5-b5f4d201ea6e-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B2C5/Al2Mg2Se5/Al2Mg2Se5-b5f4d201ea6e/Al2Mg2Se5-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A2B2C5", "monolayer_uid": "Al2Mg2Se5-b5f4d201ea6e", "bilayer_uid": "Al2Mg2Se5-b5f4d201ea6e-2-1_0_0_1--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 4 3 6 5 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 41928, "gap_pbe": 1.017, "gap_pbe_dir": 1.017, "gap_pbe_nosoc": 1.156, "gap_pbe_dir_nosoc": 1.156, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.646397977060852, "binding_energy_gs": 11.625611010981666, "distance": 3.9627791849326712}


unique_id: ada7c1b382af7569255ef0fdc6361b5d
username: jensj
key_value_pairs:
  {"uid": "Al2Mg2Se5-b5f4d201ea6e-2--1_0_0_-1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B2C5/Al2Mg2Se5/Al2Mg2Se5-b5f4d201ea6e/Al2Mg2Se5-2--1_0_0_-1-0_0", "stoichiometry": "A2B2C5", "monolayer_uid": "Al2Mg2Se5-b5f4d201ea6e", "bilayer_uid": "Al2Mg2Se5-b5f4d201ea6e-2--1_0_0_-1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 4 3 6 5 8 7]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 41928, "gap_pbe": 1.015, "gap_pbe_dir": 1.015, "gap_pbe_nosoc": 1.154, "gap_pbe_dir_nosoc": 1.154, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.633777768538975, "binding_energy_gs": 11.612970707196052, "distance": 3.9627791849326712}


unique_id: bbffb1f1446ec43112c05b443d3ecca9
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "In2Zn2S5-b789b6e2023e", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B2C5/In2Zn2S5/In2Zn2S5-b789b6e2023e", "stoichiometry": "A2B2C5", "monolayer_uid": "In2Zn2S5-b789b6e2023e", "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 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 42443, "ehull": 0.09798493664001207, "dynamically_stable": "Yes", "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.222}


unique_id: c27f23cabff0fb328d17d48b9a76218e
username: jensj
key_value_pairs:
  {"uid": "In2Zn2S5-b789b6e2023e-2-1_-1_1_0--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B2C5/In2Zn2S5/In2Zn2S5-b789b6e2023e/In2S5Zn2-2-1_-1_1_0--0.67_-0.33", "stoichiometry": "A2B2C5", "monolayer_uid": "In2Zn2S5-b789b6e2023e", "bilayer_uid": "In2Zn2S5-b789b6e2023e-2-1_-1_1_0--0.67_-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  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 42443, "with_props": false, "slide_stability": "None", "binding_energy_zscan": 47.02747749384205, "distance": 2.6459597197043223}


unique_id: f6d12bd985832266dbb74559bd1f7264
username: jensj
key_value_pairs:
  {"uid": "In2Zn2S5-b789b6e2023e-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B2C5/In2Zn2S5/In2Zn2S5-b789b6e2023e/In2S5Zn2-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A2B2C5", "monolayer_uid": "In2Zn2S5-b789b6e2023e", "bilayer_uid": "In2Zn2S5-b789b6e2023e-2-1_0_0_1--0.67_-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  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 42443, "with_props": false, "slide_stability": "None", "binding_energy_zscan": 46.82302807078519, "distance": 2.6942831272177266}


unique_id: f5bd7069853f721646d98e0f07c92877
username: jensj
key_value_pairs:
  {"uid": "In2Zn2S5-b789b6e2023e-2-1_0_0_1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B2C5/In2Zn2S5/In2Zn2S5-b789b6e2023e/In2S5Zn2-2-1_0_0_1--0.33_-0.67", "stoichiometry": "A2B2C5", "monolayer_uid": "In2Zn2S5-b789b6e2023e", "bilayer_uid": "In2Zn2S5-b789b6e2023e-2-1_0_0_1--0.33_-0.67", "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  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 42443, "with_props": false, "slide_stability": "None", "binding_energy_zscan": 44.2742581778335, "distance": 2.784026598314039}


unique_id: f8dc866227c8c2209a07218767cfc954
username: jensj
key_value_pairs:
  {"uid": "In2Zn2S5-b789b6e2023e-2-1_-1_1_0--1.0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B2C5/In2Zn2S5/In2Zn2S5-b789b6e2023e/In2S5Zn2-2-1_-1_1_0--1.0_0", "stoichiometry": "A2B2C5", "monolayer_uid": "In2Zn2S5-b789b6e2023e", "bilayer_uid": "In2Zn2S5-b789b6e2023e-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  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 42443, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 44.02572279346437, "distance": 2.83235000582744}


unique_id: eac02e9d5e63aa4983ba94f7774b9286
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ga2Mn2S5-297a09935d97", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ga2Mn2S5/Ga2Mn2S5-297a09935d97", "stoichiometry": "A2B2C5", "monolayer_uid": "Ga2Mn2S5-297a09935d97", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 634664, "ehull": 0.02205015705093183, "dynamically_stable": "Yes", "gap_pbe": 0.274, "gap_pbe_dir": 0.274, "gap_pbe_nosoc": 0.291, "gap_pbe_dir_nosoc": 0.291, "dipz": -0.0}


unique_id: f3a10f25b2e8689e86d922ec4e8c19eb
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ga2Mn2S5-297a09935d97-2-1_0_0_1--1.0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ga2Mn2S5/Ga2Mn2S5-297a09935d97/Ga2Mn2S5-2-1_0_0_1--1.0_0", "stoichiometry": "A2B2C5", "monolayer_uid": "Ga2Mn2S5-297a09935d97", "bilayer_uid": "Ga2Mn2S5-297a09935d97-2-1_0_0_1--1.0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 634664, "gap_pbe": 0.184, "gap_pbe_dir": 0.184, "gap_pbe_nosoc": 0.2, "gap_pbe_dir_nosoc": 0.2, "dipz": 0.0, "interlayer_magnetic_exchange": 0.0002863486364219625, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 182.99616657016256, "binding_energy_gs": 17.82889335730908, "distance": 3.1039999999999885}


unique_id: 8b06cd3eb46158841dc0fface21dec4d
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ga2Mn2S5-297a09935d97-2--1_0_0_-1-0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ga2Mn2S5/Ga2Mn2S5-297a09935d97/Ga2Mn2S5-2--1_0_0_-1-0_-1.0", "stoichiometry": "A2B2C5", "monolayer_uid": "Ga2Mn2S5-297a09935d97", "bilayer_uid": "Ga2Mn2S5-297a09935d97-2--1_0_0_-1-0_-1.0", "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  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 634664, "gap_pbe": 0.17, "gap_pbe_dir": 0.17, "gap_pbe_nosoc": 0.187, "gap_pbe_dir_nosoc": 0.187, "dipz": -0.001, "interlayer_magnetic_exchange": 0.0001704505658750577, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 182.92936493106745, "binding_energy_gs": 17.75915339352108, "distance": 3.1039999999999885}


unique_id: b9339e2dc3d4df0053842e27be63098c
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ga2Mn2S5-297a09935d97-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ga2Mn2S5/Ga2Mn2S5-297a09935d97/Ga2Mn2S5-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A2B2C5", "monolayer_uid": "Ga2Mn2S5-297a09935d97", "bilayer_uid": "Ga2Mn2S5-297a09935d97-2-1_0_0_1--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 634664, "gap_pbe": 0.159, "gap_pbe_dir": 0.159, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "interlayer_magnetic_exchange": 0.00027491933742851415, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 182.84221886452937, "binding_energy_gs": 17.666705902900475, "distance": 3.08424999999999}


unique_id: b5ae5eca79c320d6e71204b7ccc561e2
username: jensj
key_value_pairs:
  {"uid": "Ga2Mn2S5-297a09935d97-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ga2Mn2S5/Ga2Mn2S5-297a09935d97/Ga2Mn2S5-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "A2B2C5", "monolayer_uid": "Ga2Mn2S5-297a09935d97", "bilayer_uid": "Ga2Mn2S5-297a09935d97-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 36, "layer_group": "cm2e", "space_group_number": 39, "space_group": "Aem2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 634664, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 181.6218193745769, "binding_energy_gs": 16.4474544969045, "distance": 3.2323349190173865}


unique_id: 2e730f65f74ed4493b909e0ee89d1c22
username: jensj
key_value_pairs:
  {"uid": "Ga2Mn2S5-297a09935d97-2-1_0_0_1-Iz-0.48_-0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ga2Mn2S5/Ga2Mn2S5-297a09935d97/Ga2Mn2S5-2-1_0_0_1-Iz-0.48_-0.03", "stoichiometry": "A2B2C5", "monolayer_uid": "Ga2Mn2S5-297a09935d97", "bilayer_uid": "Ga2Mn2S5-297a09935d97-2-1_0_0_1-Iz-0.48_-0.03", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 634664, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 180.1056687892839, "binding_energy_gs": 16.467209581918915, "distance": 3.23110054401738}


unique_id: 4b3d1581e46e6663479db74df5ee83b1
username: jensj
key_value_pairs:
  {"uid": "Ga2Mn2S5-297a09935d97-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ga2Mn2S5/Ga2Mn2S5-297a09935d97/Ga2Mn2S5-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "A2B2C5", "monolayer_uid": "Ga2Mn2S5-297a09935d97", "bilayer_uid": "Ga2Mn2S5-297a09935d97-2--1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 634664, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 179.1875957768284, "binding_energy_gs": 14.016710361255823, "distance": 3.4989599190173877}


unique_id: 1402838ead65f5be80cca4a961c2585b
username: jensj
key_value_pairs:
  {"uid": "Ga2Mn2S5-297a09935d97-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ga2Mn2S5/Ga2Mn2S5-297a09935d97/Ga2Mn2S5-2--1_0_0_-1-0.5_0", "stoichiometry": "A2B2C5", "monolayer_uid": "Ga2Mn2S5-297a09935d97", "bilayer_uid": "Ga2Mn2S5-297a09935d97-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 634664, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 179.16493164763887, "binding_energy_gs": 13.998713475547875, "distance": 3.4989999999999952}


unique_id: b4305f6d058ec8e144f71e865e3c1388
username: jensj
key_value_pairs:
  {"uid": "Ga2Mn2S5-297a09935d97-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ga2Mn2S5/Ga2Mn2S5-297a09935d97/Ga2Mn2S5-2-1_0_0_1-0.5_0", "stoichiometry": "A2B2C5", "monolayer_uid": "Ga2Mn2S5-297a09935d97", "bilayer_uid": "Ga2Mn2S5-297a09935d97-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 634664, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 179.14898132246435, "binding_energy_gs": 13.98162508865308, "distance": 3.4989999999999952}


unique_id: 59479b5eb88a9b7b3a1ab87eb2b4de40
username: jensj
key_value_pairs:
  {"uid": "Ga2Mn2S5-297a09935d97-2-1_0_0_1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ga2Mn2S5/Ga2Mn2S5-297a09935d97/Ga2Mn2S5-2-1_0_0_1--0.33_-0.67", "stoichiometry": "A2B2C5", "monolayer_uid": "Ga2Mn2S5-297a09935d97", "bilayer_uid": "Ga2Mn2S5-297a09935d97-2-1_0_0_1--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 634664, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 177.2793981937464, "binding_energy_gs": 12.112011055987944, "distance": 3.7458749999999945}


unique_id: 4b1010e5b8d9663063825ad712223add
username: jensj
key_value_pairs:
  {"uid": "Ga2Mn2S5-297a09935d97-2--1_0_0_-1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ga2Mn2S5/Ga2Mn2S5-297a09935d97/Ga2Mn2S5-2--1_0_0_-1--0.33_-0.67", "stoichiometry": "A2B2C5", "monolayer_uid": "Ga2Mn2S5-297a09935d97", "bilayer_uid": "Ga2Mn2S5-297a09935d97-2--1_0_0_-1--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 634664, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 177.271157303745, "binding_energy_gs": 12.103166108734781, "distance": 3.7458749999999945}


unique_id: ff8d9c3faa9936ece50c8fcab052faf6
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "H2V2O5-df22927ea6d2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/H2V2O5/H2V2O5-df22927ea6d2", "stoichiometry": "A2B2C5", "monolayer_uid": "H2V2O5-df22927ea6d2", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 1 3 3 5 5 7 7]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 260368, "ehull": 0.060759626415602286, "dynamically_stable": "Yes", "gap_pbe": 0.716, "gap_pbe_dir": 0.735, "gap_pbe_nosoc": 0.716, "gap_pbe_dir_nosoc": 0.735, "dipz": -0.0}


unique_id: fc77ecd328042a2ba9e91ecdd42bf9a9
username: jensj
key_value_pairs:
  {"uid": "H2V2O5-df22927ea6d2-2-1_0_0_1-0.93_0.87", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/H2V2O5/H2V2O5-df22927ea6d2/H2O5V2-2-1_0_0_1-0.93_0.87", "stoichiometry": "A2B2C5", "monolayer_uid": "H2V2O5-df22927ea6d2", "bilayer_uid": "H2V2O5-df22927ea6d2-2-1_0_0_1-0.93_0.87", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 4 3 6 5 8 7]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 260368, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 820.481618693806, "binding_energy_gs": 33.01838687330425, "distance": 0.22296874999999972}


unique_id: 824cd8f22d37b139b0d571046fba27d8
username: jensj
key_value_pairs:
  {"uid": "H2V2O5-df22927ea6d2-2--1_0_0_-1--0.65_-0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/H2V2O5/H2V2O5-df22927ea6d2/H2O5V2-2--1_0_0_-1--0.65_-0.3", "stoichiometry": "A2B2C5", "monolayer_uid": "H2V2O5-df22927ea6d2", "bilayer_uid": "H2V2O5-df22927ea6d2-2--1_0_0_-1--0.65_-0.3", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 260368, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 816.7737842191618, "binding_energy_gs": 29.321609405640025, "distance": 0.7117812499999978}


unique_id: 64ca5faa9e462f5ae89fed9b9fb82a5f
username: jensj
key_value_pairs:
  {"uid": "H2V2O5-df22927ea6d2-2-1_0_0_1-Iz-0.26_0.51", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/H2V2O5/H2V2O5-df22927ea6d2/H2O5V2-2-1_0_0_1-Iz-0.26_0.51", "stoichiometry": "A2B2C5", "monolayer_uid": "H2V2O5-df22927ea6d2", "bilayer_uid": "H2V2O5-df22927ea6d2-2-1_0_0_1-Iz-0.26_0.51", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 260368, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 816.6937158183455, "binding_energy_gs": 29.243057096491025, "distance": 0.6538493954408366}


unique_id: cf0dd28263b434f6aebb50f1e1d34055
username: jensj
key_value_pairs:
  {"uid": "H2V2O5-df22927ea6d2-2--1_0_0_-1--0.2_0.61", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/H2V2O5/H2V2O5-df22927ea6d2/H2O5V2-2--1_0_0_-1--0.2_0.61", "stoichiometry": "A2B2C5", "monolayer_uid": "H2V2O5-df22927ea6d2", "bilayer_uid": "H2V2O5-df22927ea6d2-2--1_0_0_-1--0.2_0.61", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 260368, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 815.0227861455099, "binding_energy_gs": 27.56796155928339, "distance": 0.8290468749999995}


unique_id: 11a133cceae1c1c0bedf4ced9e560c9f
username: jensj
key_value_pairs:
  {"uid": "H2V2O5-df22927ea6d2-2-1_0_0_1-0.93_0.85", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/H2V2O5/H2V2O5-df22927ea6d2/H2O5V2-2-1_0_0_1-0.93_0.85", "stoichiometry": "A2B2C5", "monolayer_uid": "H2V2O5-df22927ea6d2", "bilayer_uid": "H2V2O5-df22927ea6d2-2-1_0_0_1-0.93_0.85", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 4 3 6 5 8 7]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 260368, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 814.4860367325081, "binding_energy_gs": 33.50822546354761, "distance": 0.19334375000000037}


unique_id: 22477f90e7f3dc1f73c9938e9be361c7
username: jensj
key_value_pairs:
  {"uid": "H2V2O5-df22927ea6d2-2--1_0_0_-1-0.29_0.59", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/H2V2O5/H2V2O5-df22927ea6d2/H2O5V2-2--1_0_0_-1-0.29_0.59", "stoichiometry": "A2B2C5", "monolayer_uid": "H2V2O5-df22927ea6d2", "bilayer_uid": "H2V2O5-df22927ea6d2-2--1_0_0_-1-0.29_0.59", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 260368, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 812.209587219544, "binding_energy_gs": 24.76106636833623, "distance": 0.8475624999999987}


unique_id: 43766710b3e9cb42a750613b593c4ed1
username: jensj
key_value_pairs:
  {"uid": "H2V2O5-df22927ea6d2-2-1_0_0_1-0.44_0.89", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/H2V2O5/H2V2O5-df22927ea6d2/H2O5V2-2-1_0_0_1-0.44_0.89", "stoichiometry": "A2B2C5", "monolayer_uid": "H2V2O5-df22927ea6d2", "bilayer_uid": "H2V2O5-df22927ea6d2-2-1_0_0_1-0.44_0.89", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 4 3 6 5 8 7]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 260368, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 811.1153368154594, "binding_energy_gs": 23.663052769626127, "distance": 0.33653125000000017}


unique_id: 69d9a551661ff512c55525e085289d95
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[0 1 2 0 4 1 6 7 2]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "ehull": 0.09953697987705129, "dynamically_stable": "Yes", "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.001}


unique_id: b2e5e2dc84e787bded8dfb61a013077b
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0_-0.65", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-Iz-0_-0.65", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0_-0.65", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 0 4 1 6 7 2 0 1 2 0 4 1 6 7 2]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 23.262798055752544, "binding_energy_gs": 23.24413532354106, "distance": 2.980292259643594}


unique_id: 1dadf4ddd0642818ad8c968a839dd562
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0_-0.64", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-Iz-0_-0.64", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0_-0.64", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 0 4 1 6 7 2 0 1 2 0 4 1 6 7 2]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "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": 3.3076577210522373e-07, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 23.103176708129077, "binding_energy_gs": 23.249429539539566, "distance": 2.980673358405074}


unique_id: fbe32ab9d613aacf60c1c247c658ac5e
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0.31_-0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-Iz-0.31_-0.31", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0.31_-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 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 22.899172440307925, "binding_energy_gs": 22.89383429037851, "distance": 3.036997859781863}


unique_id: 51b11b11175fb3ebbc88c4c2bb7c93ec
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0.32_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-Iz-0.32_-0.33", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0.32_-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 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "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": -5.002301008971699e-07, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 22.875135854981153, "binding_energy_gs": 23.033592715494432, "distance": 3.0300483584050752}


unique_id: 3eb4141130897c3565a0d9fde93fef69
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-Iz--0.02_-0.7", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2-1_0_0_1-Iz--0.02_-0.7", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-Iz--0.02_-0.7", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 22.756709225613623, "binding_energy_gs": 22.748008093321506, "distance": 3.0054947485939323}


unique_id: bbb7c03a30840ebf1c8bd9a2366d6c14
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-Iz-0.64_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2-1_0_0_1-Iz-0.64_-0.01", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-Iz-0.64_-0.01", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "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": -5.748229057189747e-07, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 22.093279557309877, "binding_energy_gs": 22.2279297623796, "distance": 3.062142108405073}


unique_id: cfc12c9fcf1d28287032d321bdbe9289
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-Iz-0.65_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2-1_0_0_1-Iz-0.65_-0.01", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-Iz-0.65_-0.01", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 22.08411761379876, "binding_energy_gs": 22.21894249808846, "distance": 3.0596733584050746}


unique_id: 2aeeae6bc07464584ecf81e84f39e4ed
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-Iz-0.31_-0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2-1_0_0_1-Iz-0.31_-0.03", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-Iz-0.31_-0.03", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 21.9483940021898, "binding_energy_gs": 21.924870921951943, "distance": 3.0748015932073756}


unique_id: 143ce2fd4bdbeddd05fbbaf657d68504
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-Iz-0.29_0.58", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0.29_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 21.82454255654742, "binding_energy_gs": 21.81719439166887, "distance": 3.0937034599201247}


unique_id: 2c9ea2c679ee837b2e2386b0172a4e60
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz--0.02_-0.97", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-Iz--0.02_-0.97", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz--0.02_-0.97", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 21.656700561721895, "binding_energy_gs": 21.644853155050022, "distance": 3.112605326632888}


unique_id: 9b67eb3c43f8067cfc06cf0fb0c833da
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0_-0.93", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-Iz-0_-0.93", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0_-0.93", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 0 4 1 6 7 2 0 1 2 0 4 1 6 7 2]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "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": 5.331442025635624e-07, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 21.653186665544514, "binding_energy_gs": 21.800522828656362, "distance": 3.1090483584050794}


unique_id: 19a4043639b37d53659e4285a523b189
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0.01_-0.93", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-Iz-0.01_-0.93", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0.01_-0.93", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 0 4 1 6 7 2 0 1 2 0 4 1 6 7 2]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 21.6493067497454, "binding_energy_gs": 21.79531889194673, "distance": 3.1090483584050794}


unique_id: 8578c8de3a39ae385454af2cd853cc5f
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0_-1.07", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-0_-1.07", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0_-1.07", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  0  4  1  6  7  2  9 10 11  9 13 10 15 16 11]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.002, "interlayer_magnetic_exchange": 7.756233486588826e-07, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 21.58479653162019, "binding_energy_gs": 21.735722627568478, "distance": 3.0101875000000113}


unique_id: 9769b576bdd094e8064a913b0e59ca77
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0.37_0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-Iz-0.37_0.03", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0.37_0.03", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 21.53291475048702, "binding_energy_gs": 21.665221144311438, "distance": 3.072017108405074}


unique_id: 7db34bcfc21e07079909d05ccd644189
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz--0.64_0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-Iz--0.64_0.02", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz--0.64_0.02", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "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": -1.263479560975611e-07, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 21.532223070204658, "binding_energy_gs": 21.663878895007436, "distance": 3.069548358405072}


unique_id: 261b89b915e66ec0d67bfc0210da5d4b
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 5, "layer_group": "p11a", "space_group_number": 7, "space_group": "Pc", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 21.464616906950827, "binding_energy_gs": 21.439292365012676, "distance": 3.112605326632888}


unique_id: 8a2437797878d86d6c467893f9ef36be
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz--0.63_-0.05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-Iz--0.63_-0.05", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz--0.63_-0.05", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 21.35501912555747, "binding_energy_gs": 21.327443317106127, "distance": 3.0937034599201247}


unique_id: 1cdc115d6066710520d81417016ca95c
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0.33_-0.71", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-0.33_-0.71", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0.33_-0.71", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "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": -7.104297594651143e-07, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 21.100695308399555, "binding_energy_gs": 21.245357044286223, "distance": 3.0447500000000076}


unique_id: 856cecb2336131ad313d237bb09a3ab1
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0.29_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-Iz-0.29_-0.01", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0.29_-0.01", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 20.99381996422498, "binding_energy_gs": 20.95877491826571, "distance": 3.112605326632888}


unique_id: 1755ceb7ce704178115f9c2d082c395a
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2-1_0_0_1-0_-1.0", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-0_-1.0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 35, "layer_group": "cm2m", "space_group_number": 38, "space_group": "Amm2", "equivalent_atoms": "[0 1 2 0 4 1 6 7 2 0 1 2 0 4 1 6 7 2]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.520964178597616, "binding_energy_gs": 13.510048719905779, "distance": 3.6438135176025455}


unique_id: 59cabd5643ee10e7fcd3bb18b95a5698
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-0_-0.98", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2-1_0_0_1-0_-0.98", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-0_-0.98", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  0  4  1  6  7  2  9 10 11  9 13 10 15 16 11]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.003, "interlayer_magnetic_exchange": 7.976745308724276e-07, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 20.85850689556717, "binding_energy_gs": 21.00048654914794, "distance": 3.0447500000000076}


unique_id: de90f4353b38922eadabfaf7377b3af0
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0.28_-0.71", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2--1_0_0_-1-0.28_-0.71", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0.28_-0.71", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.86867640839755, "binding_energy_gs": 17.859764812122577, "distance": 3.3003067137310396}


unique_id: 74989267f60fc530d0216e5c8fca6301
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0.01_-0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2--1_0_0_-1-0.01_-0.35", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0.01_-0.35", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 0 4 1 6 7 2 0 1 2 0 4 1 6 7 2]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.7595657745563, "binding_energy_gs": 17.742831881356864, "distance": 3.1931961356920944}


unique_id: bf7d9af1da0e5f33eb3a4e67fb791642
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0_-0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-0_-0.3", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0_-0.3", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  0  4  1  6  7  2  9 10 11  9 13 10 15 16 11]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "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": 1.1096901175733365e-08, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 20.719678753281393, "binding_energy_gs": 20.87789082198546, "distance": 3.1040000000000063}


unique_id: b4da5db3dcdb18c3c81ed575af5b7ecd
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0_-0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-0_-0.32", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0_-0.32", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  0  4  1  6  7  2  9 10 11  9 13 10 15 16 11]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 20.708718940356462, "binding_energy_gs": 20.866840217503437, "distance": 3.107703125000011}


unique_id: bc4d6a9e41c425cf97853362a4e9d61a
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1--0.02_-0.97", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2--1_0_0_-1--0.02_-0.97", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1--0.02_-0.97", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.63893098138577, "binding_energy_gs": 14.625869472410084, "distance": 3.5082272475713587}


unique_id: 2db87d37e0a88865eac2e55a4f246799
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1--0.63_-0.05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1--0.63_-0.05", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1--0.63_-0.05", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.06243106268241, "binding_energy_gs": 16.050242958449815, "distance": 3.48155004074194}


unique_id: ff3b6d9050fecb70b34c242f40408328
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1--0.67_-0.09", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2--1_0_0_-1--0.67_-0.09", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1--0.67_-0.09", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "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": -3.287496497250686e-08, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 20.284820975225124, "binding_energy_gs": 20.439728259110524, "distance": 3.0290947676025546}


unique_id: 9fe7b418359a8e293c388be73ba0ed75
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-0.01_-0.29", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2-1_0_0_1-0.01_-0.29", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-0.01_-0.29", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  0  4  1  6  7  2  9 10 11  9 13 10 15 16 11]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.009013924450876, "binding_energy_gs": 18.001954606641863, "distance": 3.1679936467417527}


unique_id: 42769d73a973696e373530fe987925c7
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-Iz-0.79_0.57", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2-1_0_0_1-Iz-0.79_0.57", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-Iz-0.79_0.57", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 20.063102831471863, "binding_energy_gs": 20.052446620706416, "distance": 3.207114660196666}


unique_id: 835ea27a1dd7fc41435c6b530ff69825
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-0.29_-0.36", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2-1_0_0_1-0.29_-0.36", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-0.29_-0.36", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 3 5 8 0 4 1 6 7 2]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.15743826342909, "binding_energy_gs": 16.15182446929907, "distance": 3.38221480281965}


unique_id: 330a797a132ec0443b9bde4e2c85279c
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-0.28_-0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2-1_0_0_1-0.28_-0.66", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-0.28_-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 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.797939539441217, "binding_energy_gs": 18.78819688713508, "distance": 3.1742942689793345}


unique_id: 7dba93240cd285aac596b1da2aacbb47
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-0.64_-0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2-1_0_0_1-0.64_-0.3", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-0.64_-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 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.99711609448444, "binding_energy_gs": 19.987708745186875, "distance": 3.1238892910786547}


unique_id: dac60815ee40d65b03a3fb2b31d60e9a
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1--0.63_0.39", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2-1_0_0_1--0.63_0.39", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1--0.63_0.39", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.57885307154638, "binding_energy_gs": 19.5689095845488, "distance": 3.142791157791411}


unique_id: b517062e9307d5d2efdfd7e9c6ffc677
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1--0.29_-0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2--1_0_0_-1--0.29_-0.31", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1--0.29_-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 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.57230660443678, "binding_energy_gs": 19.56327924832324, "distance": 3.1049874243658984}


unique_id: 7a64cc5296957eb6fad7448ce3f65864
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-0.29_0.58", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0.29_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.452102687232774, "binding_energy_gs": 19.4435450677381, "distance": 3.1791201733378465}


unique_id: 228d8bffe977e2cfb506a9b7070781e7
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0.31_-0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2--1_0_0_-1-0.31_-0.31", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0.31_-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 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.534631683711222, "binding_energy_gs": 17.526147294798125, "distance": 3.2436011135927743}


unique_id: f1e4f075313081ab7eb0dc4434fb1191
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-0.31_-0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2-1_0_0_1-0.31_-0.03", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-0.31_-0.03", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.55007302971243, "binding_energy_gs": 16.54118771915893, "distance": 3.405942573890915}


unique_id: e08e6b34e18e2b9ba51e8bbdd9a77cd7
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0.29_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-0.29_-0.01", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0.29_-0.01", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.403928486784825, "binding_energy_gs": 16.387170220889633, "distance": 3.443746307316424}


unique_id: 233641ed1764d270ff4a6803bc0bec89
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1--0.64_-0.7", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2-1_0_0_1--0.64_-0.7", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1--0.64_-0.7", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.09134094994802, "binding_energy_gs": 19.079871416685965, "distance": 3.2358257734761118}


unique_id: 1e993b0c1e64d0d9065eea709cfbd118
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1--0.3_-0.04", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2-1_0_0_1--0.3_-0.04", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1--0.3_-0.04", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.98088323588026, "binding_energy_gs": 18.970151052186676, "distance": 3.186895513454509}


unique_id: d5b27ebeb5fa52e31c1a96b493d4a163
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1--0.66_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2--1_0_0_-1--0.66_-0.67", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1--0.66_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.358810527854452, "binding_energy_gs": 18.351268123828024, "distance": 3.268803602543116}


unique_id: f212b503083488c2e2a6a1f87f87607f
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1--0.03_-0.62", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2-1_0_0_1--0.03_-0.62", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1--0.03_-0.62", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.174057849780382, "binding_energy_gs": 18.167040581174444, "distance": 3.13018991331624}


unique_id: b80545af0ad1b4a69f525d71377ec6fd
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1--0.02_-0.7", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2-1_0_0_1--0.02_-0.7", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1--0.02_-0.7", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 15.918990044764891, "binding_energy_gs": 15.910571118836984, "distance": 3.5067525296922817}


unique_id: 2430978b92536ec1cb71a82ae0b96cf4
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0_0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2--1_0_0_-1-0_0.35", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0_0.35", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 0 4 1 6 7 2 0 1 2 0 4 1 6 7 2]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.00248565627744, "binding_energy_gs": 17.997567073277494, "distance": 3.142791157791411}


unique_id: aa55ed4e318e94ec6f4f4587b811b809
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0_-0.65", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-0_-0.65", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0_-0.65", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  0  4  1  6  7  2  9 10 11  9 13 10 15 16 11]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 15.224615087685507, "binding_energy_gs": 15.215942821564347, "distance": 3.5571575075929616}


unique_id: b0a44c03f197363b29a87b9b0e245db2
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1--0.35_-0.71", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2--1_0_0_-1--0.35_-0.71", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1--0.35_-0.71", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.877289944877816, "binding_energy_gs": 16.867980705470682, "distance": 3.3318098249189667}


unique_id: 5f99530b2a09ec9a9aaa44d1796e80fd
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-Iz-0.29_-0.36", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2-1_0_0_1-Iz-0.29_-0.36", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-Iz-0.29_-0.36", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 3 5 8 0 4 1 6 7 2]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.670102592018228, "binding_energy_gs": 16.660616115676127, "distance": 3.515845149838345}


unique_id: 3d5ceb6a2a3e73ed4888f7ef6821ad08
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-0.64_-0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2-1_0_0_1-0.64_-0.68", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-0.64_-0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 3 5 8 0 4 1 6 7 2]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.647414583369585, "binding_energy_gs": 16.641224657494142, "distance": 3.3570123138693084}


unique_id: 8d0f707d44102f25f0d6b628d582439e
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0.28_-0.71", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-Iz-0.28_-0.71", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0.28_-0.71", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.614517272054385, "binding_energy_gs": 16.5969721858212, "distance": 3.515845149838345}


unique_id: bae28d7cb13cd0dca114f7674afce870
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0_-0.27", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2--1_0_0_-1-0_-0.27", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-0_-0.27", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 0 4 1 6 7 2 0 1 2 0 4 1 6 7 2]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.462113733963182, "binding_energy_gs": 16.45063525608203, "distance": 3.3066073359686285}


unique_id: 3ca5b31e4ad9b51dfff2decbf2894d3f
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0.01_-0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2--1_0_0_-1-Iz-0.01_-0.35", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1-Iz-0.01_-0.35", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 0 4 1 6 7 2 0 1 2 0 4 1 6 7 2]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.189359210560312, "binding_energy_gs": 16.180120510746065, "distance": 3.5536488832638575}


unique_id: 65c4c6126b2719d7204595b7ee693c91
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-Iz-0_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/Ni2P2Se5-2-1_0_0_1-Iz-0_-1.0", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-Iz-0_-1.0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 35, "layer_group": "cm2m", "space_group_number": 38, "space_group": "Amm2", "equivalent_atoms": "[0 1 2 0 4 1 6 7 2 0 1 2 0 4 1 6 7 2]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 15.27318135648988, "binding_energy_gs": 15.258369731391952, "distance": 3.629256350114879}


unique_id: 2cdf4184f03be07bd9269faa951e3536
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1--0.02_0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2--1_0_0_-1--0.02_0.03", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2--1_0_0_-1--0.02_0.03", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.639226224871745, "binding_energy_gs": 14.62586947271241, "distance": 3.5082272475713587}


unique_id: f3ca01a839b9312bc055bc384e7c2f13
username: jensj
key_value_pairs:
  {"uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B2C5/Ni2P2Se5/Ni2P2Se5-2147f9675e5d/M.Ni2P2Se5-2-1_0_0_1-0_0", "stoichiometry": "A2B2C5", "monolayer_uid": "Ni2P2Se5-2147f9675e5d", "bilayer_uid": "Ni2P2Se5-2147f9675e5d-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 35, "layer_group": "cm2m", "space_group_number": 38, "space_group": "Amm2", "equivalent_atoms": "[0 1 2 0 4 1 6 7 2 0 1 2 0 4 1 6 7 2]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 646145, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.521392454757844, "binding_energy_gs": 13.510385073814074, "distance": 3.646840936798238}


unique_id: c414141a0ded0bc71da9c927b3aeccfa
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Bi2S3-9e4974207024", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2S3/Bi2S3-9e4974207024", "stoichiometry": "A2B3", "monolayer_uid": "Bi2S3-9e4974207024", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.004481394609992861, "dynamically_stable": "Yes", "gap_pbe": 0.454, "gap_pbe_dir": 0.838, "gap_pbe_nosoc": 1.072, "gap_pbe_dir_nosoc": 1.464, "dipz": 0.0}


unique_id: 1afb28ff4f4163e233df483b0941b45a
username: jensj
key_value_pairs:
  {"uid": "Bi2S3-9e4974207024-2--1_0_0_-1--0.32_0.78", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2S3/Bi2S3-9e4974207024/Bi2S3-2--1_0_0_-1--0.32_0.78", "stoichiometry": "A2B3", "monolayer_uid": "Bi2S3-9e4974207024", "bilayer_uid": "Bi2S3-9e4974207024-2--1_0_0_-1--0.32_0.78", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 69, "layer_group": "p3m1", "space_group_number": 156, "space_group": "P3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.192, "gap_pbe_dir": 0.209, "gap_pbe_nosoc": 0.803, "gap_pbe_dir_nosoc": 0.803, "dipz": 0.002, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 17.660800058512418, "binding_energy_gs": 17.669229868746328, "distance": 2.7805253037667264}


unique_id: 59db2f5250b1b63c85c01eec71a12e93
username: jensj
key_value_pairs:
  {"uid": "Bi2S3-9e4974207024-2-1_0_0_1-0.33_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2S3/Bi2S3-9e4974207024/Bi2S3-2-1_0_0_1-0.33_0.67", "stoichiometry": "A2B3", "monolayer_uid": "Bi2S3-9e4974207024", "bilayer_uid": "Bi2S3-9e4974207024-2-1_0_0_1-0.33_0.67", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.183, "gap_pbe_dir": 0.185, "gap_pbe_nosoc": 0.783, "gap_pbe_dir_nosoc": 0.783, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 17.642934260092915, "binding_energy_gs": 17.64787668108297, "distance": 2.7259480571380372}


unique_id: fe99c1fbdd8b47c1cccc285939477989
username: jensj
key_value_pairs:
  {"uid": "Bi2S3-9e4974207024-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2S3/Bi2S3-9e4974207024/Bi2S3-2-1_0_0_1-0_0", "stoichiometry": "A2B3", "monolayer_uid": "Bi2S3-9e4974207024", "bilayer_uid": "Bi2S3-9e4974207024-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.242, "gap_pbe_dir": 0.263, "gap_pbe_nosoc": 0.86, "gap_pbe_dir_nosoc": 0.861, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 16.694840905960973, "binding_energy_gs": 16.705795772658007, "distance": 2.8805835892526552}


unique_id: f5603bcc337c56f99f5091dac0fff224
username: jensj
key_value_pairs:
  {"uid": "Bi2S3-9e4974207024-2--1_0_0_-1-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2S3/Bi2S3-9e4974207024/Bi2S3-2--1_0_0_-1-0.29_0.58", "stoichiometry": "A2B3", "monolayer_uid": "Bi2S3-9e4974207024", "bilayer_uid": "Bi2S3-9e4974207024-2--1_0_0_-1-0.29_0.58", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.218, "gap_pbe_dir": 0.249, "gap_pbe_nosoc": 0.84, "gap_pbe_dir_nosoc": 0.856, "dipz": -0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 16.024343333581296, "binding_energy_gs": 16.035927983007724, "distance": 2.935160835881341}


unique_id: c00e79caabf0a1216519c69aa272ffba
username: jensj
key_value_pairs:
  {"uid": "Bi2S3-9e4974207024-2-0_1_1_0-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2S3/Bi2S3-9e4974207024/Bi2S3-2-0_1_1_0-Iz-0.29_0.58", "stoichiometry": "A2B3", "monolayer_uid": "Bi2S3-9e4974207024", "bilayer_uid": "Bi2S3-9e4974207024-2-0_1_1_0-Iz-0.29_0.58", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 0 1 2 3 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.216, "gap_pbe_dir": 0.241, "gap_pbe_nosoc": 0.835, "gap_pbe_dir_nosoc": 0.848, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 15.777291181394395, "binding_energy_gs": 15.788151354958282, "distance": 2.9261485961805427}


unique_id: f20908c8712abe0491b86c4a3dea1a1f
username: jensj
key_value_pairs:
  {"uid": "Bi2S3-9e4974207024-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2S3/Bi2S3-9e4974207024/Bi2S3-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "Bi2S3-9e4974207024", "bilayer_uid": "Bi2S3-9e4974207024-2--1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 0 1 2 3 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.242, "gap_pbe_dir": 0.272, "gap_pbe_nosoc": 0.863, "gap_pbe_dir_nosoc": 0.881, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 15.593462589735338, "binding_energy_gs": 15.605830436769425, "distance": 2.9807258428092283}


unique_id: fdc8b01434fea6af802a6b730f7e0f7e
username: jensj
key_value_pairs:
  {"uid": "Bi2S3-9e4974207024-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2S3/Bi2S3-9e4974207024/Bi2S3-2-1_0_0_1-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "Bi2S3-9e4974207024", "bilayer_uid": "Bi2S3-9e4974207024-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.289, "gap_pbe_dir": 0.366, "gap_pbe_nosoc": 0.909, "gap_pbe_dir_nosoc": 0.984, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.91952407503202, "binding_energy_gs": 12.934527046943716, "distance": 3.2990091467392517}


unique_id: aca4da9cbe380a3a2f27d0b298bf994f
username: jensj
key_value_pairs:
  {"uid": "Bi2S3-9e4974207024-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2S3/Bi2S3-9e4974207024/Bi2S3-2--1_0_0_-1-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "Bi2S3-9e4974207024", "bilayer_uid": "Bi2S3-9e4974207024-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 2, "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]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.311, "gap_pbe_dir": 0.408, "gap_pbe_nosoc": 0.937, "gap_pbe_dir_nosoc": 1.026, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.067284033698979, "binding_energy_gs": 12.083151524014905, "distance": 3.417259847768076}


unique_id: 623f502d18f3a727e76c732365eccceb
username: jensj
key_value_pairs:
  {"uid": "Bi2S3-9e4974207024-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2S3/Bi2S3-9e4974207024/Bi2S3-2-1_0_0_1-0.79_0.58", "stoichiometry": "A2B3", "monolayer_uid": "Bi2S3-9e4974207024", "bilayer_uid": "Bi2S3-9e4974207024-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.309, "gap_pbe_dir": 0.409, "gap_pbe_nosoc": 0.931, "gap_pbe_dir_nosoc": 1.029, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.966631644510082, "binding_energy_gs": 11.982607619633626, "distance": 3.435452263310971}


unique_id: 64a34263dede962dbae53189d92e6706
username: jensj
key_value_pairs:
  {"uid": "Bi2S3-9e4974207024-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2S3/Bi2S3-9e4974207024/Bi2S3-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3", "monolayer_uid": "Bi2S3-9e4974207024", "bilayer_uid": "Bi2S3-9e4974207024-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.319, "gap_pbe_dir": 0.448, "gap_pbe_nosoc": 0.937, "gap_pbe_dir_nosoc": 1.068, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.01088427460773, "binding_energy_gs": 11.027087107923682, "distance": 3.5718953798826902}


unique_id: 5eb13def895f5ff6d6a582a315385fcf
username: jensj
key_value_pairs:
  {"uid": "Bi2S3-9e4974207024-2--1_0_0_-1--0.65_0.12", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2S3/Bi2S3-9e4974207024/Bi2S3-2--1_0_0_-1--0.65_0.12", "stoichiometry": "A2B3", "monolayer_uid": "Bi2S3-9e4974207024", "bilayer_uid": "Bi2S3-9e4974207024-2--1_0_0_-1--0.65_0.12", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.321, "gap_pbe_dir": 0.464, "gap_pbe_nosoc": 0.94, "gap_pbe_dir_nosoc": 1.083, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 10.779760612306914, "binding_energy_gs": 10.796045739205901, "distance": 3.599184003197035}


unique_id: eccf7f031c1643e6c1a77eb273c75d93
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Bi2Te3-61e21cf8e36d", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2Te3/Bi2Te3-61e21cf8e36d", "stoichiometry": "A2B3", "monolayer_uid": "Bi2Te3-61e21cf8e36d", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1527367, "ehull": 0.00045013160921883455, "dynamically_stable": "Yes", "gap_pbe": 0.065, "gap_pbe_dir": 0.187, "gap_pbe_nosoc": 0.919, "gap_pbe_dir_nosoc": 1.235, "dipz": 0.0}


unique_id: f535196044390cf89ac54d7ce4995918
username: jensj
key_value_pairs:
  {"uid": "Bi2Te3-61e21cf8e36d-2-1_0_0_1--0.67_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2Te3/Bi2Te3-61e21cf8e36d/Bi2Te3-2-1_0_0_1--0.67_0.67", "stoichiometry": "A2B3", "monolayer_uid": "Bi2Te3-61e21cf8e36d", "bilayer_uid": "Bi2Te3-61e21cf8e36d-2-1_0_0_1--0.67_0.67", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1527367, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.507, "gap_pbe_dir_nosoc": 0.514, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 21.33926012969969, "binding_energy_gs": 21.250423307958904, "distance": 2.666426411794191}


unique_id: 3dd22459402bf91ae273ec2c493fdca8
username: jensj
key_value_pairs:
  {"uid": "Bi2Te3-61e21cf8e36d-2--1_0_0_-1--0.34_0.61", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2Te3/Bi2Te3-61e21cf8e36d/Bi2Te3-2--1_0_0_-1--0.34_0.61", "stoichiometry": "A2B3", "monolayer_uid": "Bi2Te3-61e21cf8e36d", "bilayer_uid": "Bi2Te3-61e21cf8e36d-2--1_0_0_-1--0.34_0.61", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 69, "layer_group": "p3m1", "space_group_number": 156, "space_group": "P3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1527367, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.58, "gap_pbe_dir_nosoc": 0.608, "dipz": -0.005, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 19.860308725604497, "binding_energy_gs": 19.909880846505757, "distance": 2.9115496878662306}


unique_id: e5128361577c40e483e004020e7327e4
username: jensj
key_value_pairs:
  {"uid": "Bi2Te3-61e21cf8e36d-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2Te3/Bi2Te3-61e21cf8e36d/Bi2Te3-2--1_0_0_-1-0.79_0.58", "stoichiometry": "A2B3", "monolayer_uid": "Bi2Te3-61e21cf8e36d", "bilayer_uid": "Bi2Te3-61e21cf8e36d-2--1_0_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 2, "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]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1527367, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.553, "gap_pbe_dir_nosoc": 0.596, "dipz": -0.003, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 18.53811290278306, "binding_energy_gs": 18.613552525361467, "distance": 3.0194039293379262}


unique_id: 5884a398ac8298c83b33586fa3938697
username: jensj
key_value_pairs:
  {"uid": "Bi2Te3-61e21cf8e36d-2--1_0_0_-1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2Te3/Bi2Te3-61e21cf8e36d/Bi2Te3-2--1_0_0_-1-Iz-0.79_0.58", "stoichiometry": "A2B3", "monolayer_uid": "Bi2Te3-61e21cf8e36d", "bilayer_uid": "Bi2Te3-61e21cf8e36d-2--1_0_0_-1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 0 1 2 3 4]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1527367, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.531, "gap_pbe_dir_nosoc": 0.559, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 18.275322499409526, "binding_energy_gs": 18.330695927158178, "distance": 3.019489745849917}


unique_id: 6722d71f8fb972c9cf3d9fe755ad2b9a
username: jensj
key_value_pairs:
  {"uid": "Bi2Te3-61e21cf8e36d-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2Te3/Bi2Te3-61e21cf8e36d/Bi2Te3-2-1_0_0_1-0_0", "stoichiometry": "A2B3", "monolayer_uid": "Bi2Te3-61e21cf8e36d", "bilayer_uid": "Bi2Te3-61e21cf8e36d-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1527367, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.642, "gap_pbe_dir_nosoc": 0.68, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 18.178913692768614, "binding_energy_gs": 18.290464068082777, "distance": 3.1076483087238636}


unique_id: eb606baa2e6e1d181e1a4e14e39dbc8a
username: jensj
key_value_pairs:
  {"uid": "Bi2Te3-61e21cf8e36d-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2Te3/Bi2Te3-61e21cf8e36d/Bi2Te3-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "Bi2Te3-61e21cf8e36d", "bilayer_uid": "Bi2Te3-61e21cf8e36d-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 36, "layer_group": "cm2e", "space_group_number": 39, "space_group": "Aem2", "equivalent_atoms": "[0 1 2 3 4 0 1 2 3 4]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1527367, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.545, "gap_pbe_dir_nosoc": 0.596, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.95008439839186, "binding_energy_gs": 18.030734729749756, "distance": 3.048904538978565}


unique_id: 524ebe0baef46b4cf371a0e352f84f36
username: jensj
key_value_pairs:
  {"uid": "Bi2Te3-61e21cf8e36d-2-0_1_1_0-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2Te3/Bi2Te3-61e21cf8e36d/Bi2Te3-2-0_1_1_0-Iz-0.29_0.58", "stoichiometry": "A2B3", "monolayer_uid": "Bi2Te3-61e21cf8e36d", "bilayer_uid": "Bi2Te3-61e21cf8e36d-2-0_1_1_0-Iz-0.29_0.58", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 0 1 2 3 4]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1527367, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.572, "gap_pbe_dir_nosoc": 0.623, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.93306266224826, "binding_energy_gs": 17.040796297462936, "distance": 3.156758780450261}


unique_id: eb4ba34d4111d9992c885397e60b362f
username: jensj
key_value_pairs:
  {"uid": "Bi2Te3-61e21cf8e36d-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2Te3/Bi2Te3-61e21cf8e36d/Bi2Te3-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "Bi2Te3-61e21cf8e36d", "bilayer_uid": "Bi2Te3-61e21cf8e36d-2--1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 0 1 2 3 4]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1527367, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.612, "gap_pbe_dir_nosoc": 0.66, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.827422994978605, "binding_energy_gs": 16.95717302577337, "distance": 3.2155883667075464}


unique_id: c338d37cd6e326aca2d43b34d967401b
username: jensj
key_value_pairs:
  {"uid": "Bi2Te3-61e21cf8e36d-2-1_0_0_1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2Te3/Bi2Te3-61e21cf8e36d/Bi2Te3-2-1_0_0_1-Iz-0.79_0.58", "stoichiometry": "A2B3", "monolayer_uid": "Bi2Te3-61e21cf8e36d", "bilayer_uid": "Bi2Te3-61e21cf8e36d-2-1_0_0_1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1527367, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.595, "gap_pbe_dir_nosoc": 0.636, "dipz": 0.002, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 15.962648047738146, "binding_energy_gs": 16.096926604312216, "distance": 3.274417952964839}


unique_id: 565538a698b06199556ec1eaca200eef
username: jensj
key_value_pairs:
  {"uid": "Bi2Te3-61e21cf8e36d-2--1_0_0_-1-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2Te3/Bi2Te3-61e21cf8e36d/Bi2Te3-2--1_0_0_-1-0.29_0.58", "stoichiometry": "A2B3", "monolayer_uid": "Bi2Te3-61e21cf8e36d", "bilayer_uid": "Bi2Te3-61e21cf8e36d-2--1_0_0_-1-0.29_0.58", "number_of_layers": 2, "nspecies": 2, "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]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1527367, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.606, "gap_pbe_dir_nosoc": 0.659, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 15.403292122473006, "binding_energy_gs": 15.547928458151349, "distance": 3.3331617227101376}


unique_id: 5ea82b12bf9493002e7e9b211ce8a740
username: jensj
key_value_pairs:
  {"uid": "Bi2Te3-61e21cf8e36d-2--1_0_0_-1-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2Te3/Bi2Te3-61e21cf8e36d/Bi2Te3-2--1_0_0_-1-Iz-0.29_0.58", "stoichiometry": "A2B3", "monolayer_uid": "Bi2Te3-61e21cf8e36d", "bilayer_uid": "Bi2Te3-61e21cf8e36d-2--1_0_0_-1-Iz-0.29_0.58", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 0 1 2 3 4]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1527367, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.634, "gap_pbe_dir_nosoc": 0.718, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.068100194852773, "binding_energy_gs": 14.23944368225339, "distance": 3.490126435908234}


unique_id: 13d7201faf7bdfddab02dac82cd512e5
username: jensj
key_value_pairs:
  {"uid": "Bi2Te3-61e21cf8e36d-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2Te3/Bi2Te3-61e21cf8e36d/Bi2Te3-2-1_0_0_1-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "Bi2Te3-61e21cf8e36d", "bilayer_uid": "Bi2Te3-61e21cf8e36d-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1527367, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.619, "gap_pbe_dir_nosoc": 0.707, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.057930008692246, "binding_energy_gs": 14.225642868171349, "distance": 3.4802356883533605}


unique_id: 216083150db2b0a9c60e8ec478226c40
username: jensj
key_value_pairs:
  {"uid": "Bi2Te3-61e21cf8e36d-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2Te3/Bi2Te3-61e21cf8e36d/Bi2Te3-2-1_0_0_1-0.79_0.58", "stoichiometry": "A2B3", "monolayer_uid": "Bi2Te3-61e21cf8e36d", "bilayer_uid": "Bi2Te3-61e21cf8e36d-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1527367, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.693, "gap_pbe_dir_nosoc": 0.803, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.629556110097651, "binding_energy_gs": 12.826446579276302, "distance": 3.6959441712967553}


unique_id: 7ad9813d04400fc8cb7ee82e8820c116
username: jensj
key_value_pairs:
  {"uid": "Bi2Te3-61e21cf8e36d-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2Te3/Bi2Te3-61e21cf8e36d/Bi2Te3-2--1_0_0_-1-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "Bi2Te3-61e21cf8e36d", "bilayer_uid": "Bi2Te3-61e21cf8e36d-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 2, "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]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1527367, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.703, "gap_pbe_dir_nosoc": 0.851, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.872148409743529, "binding_energy_gs": 12.07653034507891, "distance": 3.8037984127684474}


unique_id: 64db8c790082a3d9c240e86cffef8ae5
username: jensj
key_value_pairs:
  {"uid": "Bi2Te3-61e21cf8e36d-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Bi2Te3/Bi2Te3-61e21cf8e36d/Bi2Te3-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3", "monolayer_uid": "Bi2Te3-61e21cf8e36d", "bilayer_uid": "Bi2Te3-61e21cf8e36d-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1527367, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.705, "gap_pbe_dir_nosoc": 0.875, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.465552178135788, "binding_energy_gs": 11.677099516625603, "distance": 3.8822378611115056}


unique_id: e3b88162a328dbdffb0f334ed0af0fb8
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "C2Y3-9644e139e5a5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/C2Y3/C2Y3-9644e139e5a5", "stoichiometry": "A2B3", "monolayer_uid": "C2Y3-9644e139e5a5", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 1 3 3]", "has_inversion_symmetry": false, "magnetic": false, "ehull": 0.19895464739475122, "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: 8e44d4999a02ba0dbd1c0f5935a75aff
username: jensj
key_value_pairs:
  {"uid": "C2Y3-9644e139e5a5-2--1_0_0_-1-Iz-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/C2Y3/C2Y3-9644e139e5a5/C2Y3-2--1_0_0_-1-Iz-0_0", "stoichiometry": "A2B3", "monolayer_uid": "C2Y3-9644e139e5a5", "bilayer_uid": "C2Y3-9644e139e5a5-2--1_0_0_-1-Iz-0_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 0 1 2 3 4]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 96.82509714696171, "binding_energy_gs": 91.45528092895752, "distance": 3.640834715346255}


unique_id: 61f88c3fc41a4bea2cd55dbc0cc99797
username: jensj
key_value_pairs:
  {"uid": "C2Y3-9644e139e5a5-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/C2Y3/C2Y3-9644e139e5a5/C2Y3-2-1_0_0_1--0.67_-0.33", "stoichiometry": "A2B3", "monolayer_uid": "C2Y3-9644e139e5a5", "bilayer_uid": "C2Y3-9644e139e5a5-2-1_0_0_1--0.67_-0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 69, "layer_group": "p3m1", "space_group_number": 156, "space_group": "P3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9]", "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 94.80199764953888, "binding_energy_gs": 89.47399223459146, "distance": 3.7063464205598677}


unique_id: 11facf6bb0b998aa3c034f5294c6da2c
username: jensj
key_value_pairs:
  {"uid": "C2Y3-9644e139e5a5-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/C2Y3/C2Y3-9644e139e5a5/C2Y3-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "A2B3", "monolayer_uid": "C2Y3-9644e139e5a5", "bilayer_uid": "C2Y3-9644e139e5a5-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 0 1 2 3 4]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 92.15448771353107, "binding_energy_gs": 86.79544606299804, "distance": 3.796400652114375}


unique_id: b9ca5ff25da50078ac33fe9c6a4e8bae
username: jensj
key_value_pairs:
  {"uid": "C2Y3-9644e139e5a5-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/C2Y3/C2Y3-9644e139e5a5/C2Y3-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "A2B3", "monolayer_uid": "C2Y3-9644e139e5a5", "bilayer_uid": "C2Y3-9644e139e5a5-2--1_0_0_-1-Iz--0.67_-0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 0 1 2 3 4]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 89.75718465122422, "binding_energy_gs": 84.41894708512957, "distance": 3.8045883329969037}


unique_id: 45450a890e374c4f9b67819effe905eb
username: jensj
key_value_pairs:
  {"uid": "C2Y3-9644e139e5a5-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/C2Y3/C2Y3-9644e139e5a5/C2Y3-2-1_0_0_1-0_0", "stoichiometry": "A2B3", "monolayer_uid": "C2Y3-9644e139e5a5", "bilayer_uid": "C2Y3-9644e139e5a5-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 2 3 4 0 2 1 4 3]", "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 88.9854911458505, "binding_energy_gs": 83.62410114988627, "distance": 3.8209739529153204}


unique_id: 67a37c256f3754119209034dbc760989
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Sb2Se3-d07765390360", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Se3/Sb2Se3-d07765390360", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Se3-d07765390360", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 0.425, "gap_pbe_dir": 0.788, "gap_pbe_nosoc": 0.533, "gap_pbe_dir_nosoc": 0.902, "dipz": -0.0}


unique_id: 7c915c32d6f8ea77b72a1c0e18ebfaa1
username: jensj
key_value_pairs:
  {"uid": "Sb2Se3-d07765390360-2-1_0_0_1-0.33_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Se3/Sb2Se3-d07765390360/Sb2Se3-2-1_0_0_1-0.33_0.67", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Se3-d07765390360", "bilayer_uid": "Sb2Se3-d07765390360-2-1_0_0_1-0.33_0.67", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.195, "gap_pbe_dir": 0.254, "gap_pbe_nosoc": 0.288, "gap_pbe_dir_nosoc": 0.351, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 20.095042299495837, "binding_energy_gs": 20.021430821341575, "distance": 2.712857068272628}


unique_id: e621199d867c5effe153f1eb104ed16c
username: jensj
key_value_pairs:
  {"uid": "Sb2Se3-d07765390360-2--1_0_0_-1--0.33_0.72", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Se3/Sb2Se3-d07765390360/Sb2Se3-2--1_0_0_-1--0.33_0.72", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Se3-d07765390360", "bilayer_uid": "Sb2Se3-d07765390360-2--1_0_0_-1--0.33_0.72", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 69, "layer_group": "p3m1", "space_group_number": 156, "space_group": "P3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.221, "gap_pbe_dir": 0.296, "gap_pbe_nosoc": 0.323, "gap_pbe_dir_nosoc": 0.393, "dipz": -0.001, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 19.563914012228917, "binding_energy_gs": 19.534648385309342, "distance": 2.843019674143294}


unique_id: 5462550c4e41aba8859b00cbf0bcfb90
username: jensj
key_value_pairs:
  {"uid": "Sb2Se3-d07765390360-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Se3/Sb2Se3-d07765390360/Sb2Se3-2-1_0_0_1-0_0", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Se3-d07765390360", "bilayer_uid": "Sb2Se3-d07765390360-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.262, "gap_pbe_dir": 0.332, "gap_pbe_nosoc": 0.358, "gap_pbe_dir_nosoc": 0.43, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 18.101145984781226, "binding_energy_gs": 18.097286449917014, "distance": 2.9824796090047183}


unique_id: f939fea57abd1af86def71aebb4c8518
username: jensj
key_value_pairs:
  {"uid": "Sb2Se3-d07765390360-2--1_0_0_-1-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Se3/Sb2Se3-d07765390360/Sb2Se3-2--1_0_0_-1-0.29_0.58", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Se3-d07765390360", "bilayer_uid": "Sb2Se3-d07765390360-2--1_0_0_-1-0.29_0.58", "number_of_layers": 2, "nspecies": 2, "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]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.208, "gap_pbe_dir": 0.305, "gap_pbe_nosoc": 0.311, "gap_pbe_dir_nosoc": 0.402, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 17.62361820942739, "binding_energy_gs": 17.616145100533682, "distance": 2.9824796090047183}


unique_id: a12b80d9f587b9a38d98b8201686f110
username: jensj
key_value_pairs:
  {"uid": "Sb2Se3-d07765390360-2-0_1_1_0-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Se3/Sb2Se3-d07765390360/Sb2Se3-2-0_1_1_0-Iz-0.29_0.58", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Se3-d07765390360", "bilayer_uid": "Sb2Se3-d07765390360-2-0_1_1_0-Iz-0.29_0.58", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 0 1 2 3 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.214, "gap_pbe_dir": 0.305, "gap_pbe_nosoc": 0.303, "gap_pbe_dir_nosoc": 0.404, "dipz": -0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 17.45668157297078, "binding_energy_gs": 17.447721131436214, "distance": 2.991794380135582}


unique_id: 385e47327342646401272f16a7a44dfc
username: jensj
key_value_pairs:
  {"uid": "Sb2Se3-d07765390360-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Se3/Sb2Se3-d07765390360/Sb2Se3-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Se3-d07765390360", "bilayer_uid": "Sb2Se3-d07765390360-2--1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 0 1 2 3 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.242, "gap_pbe_dir": 0.327, "gap_pbe_nosoc": 0.331, "gap_pbe_dir_nosoc": 0.426, "dipz": -0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 17.145259458838172, "binding_energy_gs": 17.147939275525612, "distance": 3.038281025089388}


unique_id: 646c6120230b028ba0874b4981d7272d
username: jensj
key_value_pairs:
  {"uid": "Sb2Se3-d07765390360-2-1_0_0_1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Se3/Sb2Se3-d07765390360/Sb2Se3-2-1_0_0_1-Iz-0.79_0.58", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Se3-d07765390360", "bilayer_uid": "Sb2Se3-d07765390360-2-1_0_0_1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.218, "gap_pbe_dir": 0.328, "gap_pbe_nosoc": 0.318, "gap_pbe_dir_nosoc": 0.427, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.170504090473575, "binding_energy_gs": 16.18365098558427, "distance": 3.1219569860062446}


unique_id: 7e8f022cd17c068d11e9fc0ba0fd007c
username: jensj
key_value_pairs:
  {"uid": "Sb2Se3-d07765390360-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Se3/Sb2Se3-d07765390360/Sb2Se3-2-1_0_0_1-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Se3-d07765390360", "bilayer_uid": "Sb2Se3-d07765390360-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.242, "gap_pbe_dir": 0.373, "gap_pbe_nosoc": 0.332, "gap_pbe_dir_nosoc": 0.475, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.610982955372434, "binding_energy_gs": 14.642297674929006, "distance": 3.2985887946906107}


unique_id: b981e95f9a6cae6ef148df5c69ad8359
username: jensj
key_value_pairs:
  {"uid": "Sb2Se3-d07765390360-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Se3/Sb2Se3-d07765390360/Sb2Se3-2-1_0_0_1-0.79_0.58", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Se3-d07765390360", "bilayer_uid": "Sb2Se3-d07765390360-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.26, "gap_pbe_dir": 0.421, "gap_pbe_nosoc": 0.36, "gap_pbe_dir_nosoc": 0.525, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.425936274201371, "binding_energy_gs": 13.470325628083316, "distance": 3.465940716524324}


unique_id: 6922f5596092f1ed38621286b6cb7c2a
username: jensj
key_value_pairs:
  {"uid": "Sb2Se3-d07765390360-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Se3/Sb2Se3-d07765390360/Sb2Se3-2--1_0_0_-1-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Se3-d07765390360", "bilayer_uid": "Sb2Se3-d07765390360-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 2, "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]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.26, "gap_pbe_dir": 0.437, "gap_pbe_nosoc": 0.365, "gap_pbe_dir_nosoc": 0.542, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.056406301164929, "binding_energy_gs": 13.102354226847467, "distance": 3.5124273614781334}


unique_id: c67a77b74b3ab2d05cf77c40562b20d5
username: jensj
key_value_pairs:
  {"uid": "Sb2Se3-d07765390360-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Se3/Sb2Se3-d07765390360/Sb2Se3-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Se3-d07765390360", "bilayer_uid": "Sb2Se3-d07765390360-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.27, "gap_pbe_dir": 0.46, "gap_pbe_nosoc": 0.368, "gap_pbe_dir_nosoc": 0.565, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.419550252382763, "binding_energy_gs": 12.471700036341637, "distance": 3.6146979803765102}


unique_id: df3ca2bf7ba7087fe8e770ebe13cea33
username: jensj
key_value_pairs:
  {"uid": "Sb2Se3-d07765390360-2--1_0_0_-1--0.66_0.06", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Se3/Sb2Se3-d07765390360/Sb2Se3-2--1_0_0_-1--0.66_0.06", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Se3-d07765390360", "bilayer_uid": "Sb2Se3-d07765390360-2--1_0_0_-1--0.66_0.06", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.269, "gap_pbe_dir": 0.476, "gap_pbe_nosoc": 0.374, "gap_pbe_dir_nosoc": 0.581, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.114902034297268, "binding_energy_gs": 12.167250785575456, "distance": 3.6518872963395577}


unique_id: 29bb66838113a61ae7463a871ac267ed
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Sb2Te3-3e3e0acdba55", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Te3/Sb2Te3-3e3e0acdba55", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Te3-3e3e0acdba55", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.004267835560163025, "dynamically_stable": "Yes", "gap_pbe": 0.34, "gap_pbe_dir": 0.667, "gap_pbe_nosoc": 0.646, "gap_pbe_dir_nosoc": 0.889, "dipz": -0.0}


unique_id: 9d70296174e5b18e6b3c10e93a05ba38
username: jensj
key_value_pairs:
  {"uid": "Sb2Te3-3e3e0acdba55-2-1_0_0_1-0.67_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Te3/Sb2Te3-3e3e0acdba55/Sb2Te3-2-1_0_0_1-0.67_0.33", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Te3-3e3e0acdba55", "bilayer_uid": "Sb2Te3-3e3e0acdba55-2-1_0_0_1-0.67_0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.053, "gap_pbe_dir": 0.053, "gap_pbe_nosoc": 0.359, "gap_pbe_dir_nosoc": 0.375, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 21.857127049037782, "binding_energy_gs": 21.745460094137606, "distance": 2.707342395626153}


unique_id: 7e176347951a1602062ca885be0d423e
username: jensj
key_value_pairs:
  {"uid": "Sb2Te3-3e3e0acdba55-2--1_0_0_-1-0.64_-0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Te3/Sb2Te3-3e3e0acdba55/Sb2Te3-2--1_0_0_-1-0.64_-0.03", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Te3-3e3e0acdba55", "bilayer_uid": "Sb2Te3-3e3e0acdba55-2--1_0_0_-1-0.64_-0.03", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 69, "layer_group": "p3m1", "space_group_number": 156, "space_group": "P3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.119, "gap_pbe_dir": 0.145, "gap_pbe_nosoc": 0.401, "gap_pbe_dir_nosoc": 0.447, "dipz": -0.004, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 20.487655395407202, "binding_energy_gs": 20.525713523836128, "distance": 2.9298365935189743}


unique_id: 1acc771d605ec47a20b8d99814784962
username: jensj
key_value_pairs:
  {"uid": "Sb2Te3-3e3e0acdba55-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Te3/Sb2Te3-3e3e0acdba55/Sb2Te3-2--1_0_0_-1-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Te3-3e3e0acdba55", "bilayer_uid": "Sb2Te3-3e3e0acdba55-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 2, "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]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.104, "gap_pbe_dir": 0.148, "gap_pbe_nosoc": 0.383, "gap_pbe_dir_nosoc": 0.453, "dipz": -0.002, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 19.10785827550981, "binding_energy_gs": 19.1836387568734, "distance": 3.055594183632305}


unique_id: 22d9de3873fdb1398f5c3cd9398a6123
username: jensj
key_value_pairs:
  {"uid": "Sb2Te3-3e3e0acdba55-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Te3/Sb2Te3-3e3e0acdba55/Sb2Te3-2-1_0_0_1-0.79_0.58", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Te3-3e3e0acdba55", "bilayer_uid": "Sb2Te3-3e3e0acdba55-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.082, "gap_pbe_dir": 0.123, "gap_pbe_nosoc": 0.359, "gap_pbe_dir_nosoc": 0.431, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 18.99415175200246, "binding_energy_gs": 19.039675147752856, "distance": 3.0072258797425597}


unique_id: 5102a3a50f7ebb892ca3daf829037bc1
username: jensj
key_value_pairs:
  {"uid": "Sb2Te3-3e3e0acdba55-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Te3/Sb2Te3-3e3e0acdba55/Sb2Te3-2-1_0_0_1-0_0", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Te3-3e3e0acdba55", "bilayer_uid": "Sb2Te3-3e3e0acdba55-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.167, "gap_pbe_dir": 0.185, "gap_pbe_nosoc": 0.441, "gap_pbe_dir_nosoc": 0.5, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 18.843948636506184, "binding_energy_gs": 18.955804091268615, "distance": 3.1233098090779414}


unique_id: bc2f639a6ba58c66552cadf40262bca4
username: jensj
key_value_pairs:
  {"uid": "Sb2Te3-3e3e0acdba55-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Te3/Sb2Te3-3e3e0acdba55/Sb2Te3-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Te3-3e3e0acdba55", "bilayer_uid": "Sb2Te3-3e3e0acdba55-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 36, "layer_group": "cm2e", "space_group_number": 39, "space_group": "Aem2", "equivalent_atoms": "[0 1 2 3 4 0 1 2 3 4]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.095, "gap_pbe_dir": 0.139, "gap_pbe_nosoc": 0.364, "gap_pbe_dir_nosoc": 0.444, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 18.69950158373885, "binding_energy_gs": 18.771757811355652, "distance": 3.055751329520728}


unique_id: 4c9e626311340da5b4c811dac0aa219d
username: jensj
key_value_pairs:
  {"uid": "Sb2Te3-3e3e0acdba55-2--1_0_0_-1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Te3/Sb2Te3-3e3e0acdba55/Sb2Te3-2--1_0_0_-1-Iz-0.79_0.58", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Te3-3e3e0acdba55", "bilayer_uid": "Sb2Te3-3e3e0acdba55-2--1_0_0_-1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 0 1 2 3 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.163, "gap_pbe_dir": 0.192, "gap_pbe_nosoc": 0.431, "gap_pbe_dir_nosoc": 0.505, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.41183366177871, "binding_energy_gs": 17.54936421367597, "distance": 3.2395508843017566}


unique_id: c3cc879ba9d8b0b2263c94eefce0db36
username: jensj
key_value_pairs:
  {"uid": "Sb2Te3-3e3e0acdba55-2--1_1_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Te3/Sb2Te3-3e3e0acdba55/Sb2Te3-2--1_1_0_1-Iz-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Te3-3e3e0acdba55", "bilayer_uid": "Sb2Te3-3e3e0acdba55-2--1_1_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 0 1 2 3 4]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.12, "gap_pbe_dir": 0.206, "gap_pbe_nosoc": 0.405, "gap_pbe_dir_nosoc": 0.519, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.10199243310356, "binding_energy_gs": 16.255602993421913, "distance": 3.3459611528591893}


unique_id: 923f365363d0282ae3f903f83461098f
username: jensj
key_value_pairs:
  {"uid": "Sb2Te3-3e3e0acdba55-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Te3/Sb2Te3-3e3e0acdba55/Sb2Te3-2-1_0_0_1-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Te3-3e3e0acdba55", "bilayer_uid": "Sb2Te3-3e3e0acdba55-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.139, "gap_pbe_dir": 0.237, "gap_pbe_nosoc": 0.422, "gap_pbe_dir_nosoc": 0.555, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.816608589593043, "binding_energy_gs": 14.995349485576595, "distance": 3.4715615970841007}


unique_id: 47514330cc7fe118fdcc033404173d97
username: jensj
key_value_pairs:
  {"uid": "Sb2Te3-3e3e0acdba55-2--1_0_0_-1-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Te3/Sb2Te3-3e3e0acdba55/Sb2Te3-2--1_0_0_-1-Iz-0.29_0.58", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Te3-3e3e0acdba55", "bilayer_uid": "Sb2Te3-3e3e0acdba55-2--1_0_0_-1-Iz-0.29_0.58", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 0 1 2 3 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.148, "gap_pbe_dir": 0.255, "gap_pbe_nosoc": 0.422, "gap_pbe_dir_nosoc": 0.576, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.416432549379222, "binding_energy_gs": 14.609065797431366, "distance": 3.5297607076402144}


unique_id: a0784cf70d4475089d0cfc6026c21d3d
username: jensj
key_value_pairs:
  {"uid": "Sb2Te3-3e3e0acdba55-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Te3/Sb2Te3-3e3e0acdba55/Sb2Te3-2--1_0_0_-1-0.79_0.58", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Te3-3e3e0acdba55", "bilayer_uid": "Sb2Te3-3e3e0acdba55-2--1_0_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 2, "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]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.171, "gap_pbe_dir": 0.336, "gap_pbe_nosoc": 0.452, "gap_pbe_dir_nosoc": 0.664, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.589621334176343, "binding_energy_gs": 12.815744337438813, "distance": 3.78111874197846}


unique_id: f26ec763a025b7c1463739683ef78a90
username: jensj
key_value_pairs:
  {"uid": "Sb2Te3-3e3e0acdba55-2-1_0_0_1-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Te3/Sb2Te3-3e3e0acdba55/Sb2Te3-2-1_0_0_1-0.33_-0.33", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Te3-3e3e0acdba55", "bilayer_uid": "Sb2Te3-3e3e0acdba55-2-1_0_0_1-0.33_-0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.181, "gap_pbe_dir": 0.357, "gap_pbe_nosoc": 0.454, "gap_pbe_dir_nosoc": 0.683, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.116561481845082, "binding_energy_gs": 12.351699629710813, "distance": 3.858508028202049}


unique_id: fc72a133c6385e034d951dbe1175d0e0
username: jensj
key_value_pairs:
  {"uid": "Sb2Te3-3e3e0acdba55-2--1_0_0_-1--0.03_-0.36", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3/Sb2Te3/Sb2Te3-3e3e0acdba55/Sb2Te3-2--1_0_0_-1--0.03_-0.36", "stoichiometry": "A2B3", "monolayer_uid": "Sb2Te3-3e3e0acdba55", "bilayer_uid": "Sb2Te3-3e3e0acdba55-2--1_0_0_-1--0.03_-0.36", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 2 3 4 2 3 0 1 4]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.185, "gap_pbe_dir": 0.372, "gap_pbe_nosoc": 0.462, "gap_pbe_dir_nosoc": 0.701, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.869594462992003, "binding_energy_gs": 12.107056193937229, "distance": 3.8972026713138455}


unique_id: a98f2414b73bfcaf853b36dcec7f9820
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 5, "layer_group": "p11a", "space_group_number": 7, "space_group": "Pc", "equivalent_atoms": "[0 0 2 2 4 4 6 6 8 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 9014252, "ehull": 0.0008575787214404329, "dynamically_stable": "Yes", "gap_pbe": 4.256, "gap_pbe_dir": 4.322, "gap_pbe_nosoc": 4.283, "gap_pbe_dir_nosoc": 4.34, "dipz": 0.0}


unique_id: c0c2843c48027992e7be118140f1c4ef
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2-1_0_0_1--0.35_-0.04", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2-1_0_0_1--0.35_-0.04", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2-1_0_0_1--0.35_-0.04", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.065, "gap_pbe_dir": 4.113, "gap_pbe_nosoc": 4.089, "gap_pbe_dir_nosoc": 4.141, "dipz": 0.001, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 12.151244350588168, "binding_energy_gs": 12.147459912017078, "distance": 2.8840672245317442}


unique_id: 7f30fea7e530cae667e83d6a62ae7a64
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2-1_0_0_1--0.36_-0.05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2-1_0_0_1--0.36_-0.05", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2-1_0_0_1--0.36_-0.05", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.07, "gap_pbe_dir": 4.119, "gap_pbe_nosoc": 4.093, "gap_pbe_dir_nosoc": 4.147, "dipz": 0.001, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 12.1458737372607, "binding_energy_gs": 12.142114848366658, "distance": 2.8919867098311194}


unique_id: 3be87893d672199191ef18a5aed92dc1
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2-1_0_0_1--0.38_-0.09", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2-1_0_0_1--0.38_-0.09", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2-1_0_0_1--0.38_-0.09", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.068, "gap_pbe_dir": 4.126, "gap_pbe_nosoc": 4.084, "gap_pbe_dir_nosoc": 4.154, "dipz": 0.004, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 12.03734539608702, "binding_energy_gs": 12.033500750888663, "distance": 2.891134787353696}


unique_id: 6af7c09d6e63be7c0c65770048b880a0
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz--0.49_-0.29", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2--1_0_0_-1-Iz--0.49_-0.29", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz--0.49_-0.29", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 3.943, "gap_pbe_dir": 3.952, "gap_pbe_nosoc": 3.951, "gap_pbe_dir_nosoc": 3.961, "dipz": -0.001, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 12.035738685173087, "binding_energy_gs": 12.031992536401729, "distance": 2.7510108529585757}


unique_id: 59ae14c8a44f51ffdb074f8c303dfbe9
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz--0.11_-0.39", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2--1_0_0_-1-Iz--0.11_-0.39", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz--0.11_-0.39", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 3.987, "gap_pbe_dir": 4.072, "gap_pbe_nosoc": 3.997, "gap_pbe_dir_nosoc": 4.084, "dipz": -0.001, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 11.558102507623648, "binding_energy_gs": 11.554325483250897, "distance": 2.891134787353682}


unique_id: 8149d1e7fe9a72ff514740d5b53e1e9c
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz-0.47_0.36", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2--1_0_0_-1-Iz-0.47_0.36", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz-0.47_0.36", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.054, "gap_pbe_dir": 4.091, "gap_pbe_nosoc": 4.063, "gap_pbe_dir_nosoc": 4.102, "dipz": -0.001, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 11.554964266698313, "binding_energy_gs": 11.551236176422892, "distance": 3.0592835086278}


unique_id: 72c2eb4aa7b717edeeeee88e8852ff00
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz-0.29_0.41", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2--1_0_0_-1-Iz-0.29_0.41", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz-0.29_0.41", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.066, "gap_pbe_dir": 4.177, "gap_pbe_nosoc": 4.077, "gap_pbe_dir_nosoc": 4.192, "dipz": -0.001, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 11.44830608116424, "binding_energy_gs": 11.4445616503698, "distance": 3.045271115188296}


unique_id: 8c92f0ab8c737e09c53ed79f5fa6e432
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz-0.27_-0.29", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2--1_0_0_-1-Iz-0.27_-0.29", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz-0.27_-0.29", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.001, "gap_pbe_dir": 4.062, "gap_pbe_nosoc": 4.01, "gap_pbe_dir_nosoc": 4.07, "dipz": -0.001, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 11.367863379091368, "binding_energy_gs": 11.36415763813225, "distance": 2.8000542299968636}


unique_id: 97b2c8aedf5a0a5f5203f2b8f58928ce
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz--0.46_0.4", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2--1_0_0_-1-Iz--0.46_0.4", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz--0.46_0.4", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.053, "gap_pbe_dir": 4.102, "gap_pbe_nosoc": 4.063, "gap_pbe_dir_nosoc": 4.112, "dipz": -0.001, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 11.237744062557795, "binding_energy_gs": 11.234047352360882, "distance": 3.0592835086278}


unique_id: 2974cf6775062763a924882ecb309185
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz--0.49_-0.48", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2--1_0_0_-1-Iz--0.49_-0.48", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz--0.49_-0.48", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.024, "gap_pbe_dir": 4.073, "gap_pbe_nosoc": 4.034, "gap_pbe_dir_nosoc": 4.085, "dipz": -0.001, "with_props": false, "slide_stability": "Unstable-Max", "binding_energy_zscan": 10.896535461210098, "binding_energy_gs": 10.892789263419099, "distance": 3.045271115188296}


unique_id: 89e8e6da97bbb3f42c33e30365ee10f6
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2-1_0_0_1-0_0", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 2, "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 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 9014252, "gap_pbe": 3.988, "gap_pbe_dir": 4.06, "gap_pbe_nosoc": 4.003, "gap_pbe_dir_nosoc": 4.091, "dipz": -0.001, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 10.686941002065893, "binding_energy_gs": 10.68313799275186, "distance": 3.0242525250290413}


unique_id: 9f5a7239395b7cf7edb9aa4af3dc914c
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2-1_0_0_1--0.35_0.79", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2-1_0_0_1--0.35_0.79", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2-1_0_0_1--0.35_0.79", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.012, "gap_pbe_dir": 4.125, "gap_pbe_nosoc": 4.036, "gap_pbe_dir_nosoc": 4.141, "dipz": 0.012, "with_props": false, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 10.641389925429952, "binding_energy_gs": 10.637584663848436, "distance": 3.052277311908064}


unique_id: 58597d44a17245642cea151c1d78cd50
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2-1_0_0_1-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2-1_0_0_1-0_0.5", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2-1_0_0_1-0_0.5", "number_of_layers": 2, "nspecies": 2, "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 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 9014252, "gap_pbe": 4.114, "gap_pbe_dir": 4.201, "gap_pbe_nosoc": 4.135, "gap_pbe_dir_nosoc": 4.211, "dipz": -0.001, "with_props": false, "slide_stability": "Stable", "binding_energy_zscan": 10.241294433649138, "binding_energy_gs": 10.237584306199727, "distance": 3.2226455030088665}


unique_id: b001b5079a883619bec9ab639bbb78d2
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2-1_0_0_1--0.03_-0.88", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2-1_0_0_1--0.03_-0.88", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2-1_0_0_1--0.03_-0.88", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.001, "gap_pbe_dir": 4.091, "gap_pbe_nosoc": 4.015, "gap_pbe_dir_nosoc": 4.119, "dipz": 0.007, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 10.202079196477404, "binding_energy_gs": 10.19831210197794, "distance": 3.0873082955068405}


unique_id: 9fbc95c01caf62abcba6719c187ef5af
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2-1_0_0_1-0.04_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2-1_0_0_1-0.04_0.5", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2-1_0_0_1-0.04_0.5", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.108, "gap_pbe_dir": 4.193, "gap_pbe_nosoc": 4.129, "gap_pbe_dir_nosoc": 4.204, "dipz": 0.001, "with_props": false, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 10.199668592477192, "binding_energy_gs": 10.195994121911427, "distance": 3.2204260331821892}


unique_id: 19f131b775c92866f119d109e66b2a7f
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2-1_0_0_1--0.4_-0.79", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2-1_0_0_1--0.4_-0.79", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2-1_0_0_1--0.4_-0.79", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.014, "gap_pbe_dir": 4.062, "gap_pbe_nosoc": 4.039, "gap_pbe_dir_nosoc": 4.077, "dipz": -0.009, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 10.114370546278996, "binding_energy_gs": 10.110580895211687, "distance": 3.080302098787083}


unique_id: b3cbcbcb910b394effa5a792351645d3
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz--0.59_-0.19", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2--1_0_0_-1-Iz--0.59_-0.19", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz--0.59_-0.19", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.089, "gap_pbe_dir": 4.109, "gap_pbe_nosoc": 4.099, "gap_pbe_dir_nosoc": 4.119, "dipz": -0.001, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 10.018637070838762, "binding_energy_gs": 10.014903341755824, "distance": 3.0522773119080497}


unique_id: b95c5b67e01e37866e698dc555c7a92c
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2-1_0_0_1--0.88_-0.59", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2-1_0_0_1--0.88_-0.59", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2-1_0_0_1--0.88_-0.59", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.062, "gap_pbe_dir": 4.153, "gap_pbe_nosoc": 4.085, "gap_pbe_dir_nosoc": 4.166, "dipz": 0.008, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 9.532140214351227, "binding_energy_gs": 9.528381799870564, "distance": 3.2904880003797423}


unique_id: cd98e782fbc18d2dd9202905b41a2d75
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz-0.77_0.21", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2--1_0_0_-1-Iz-0.77_0.21", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz-0.77_0.21", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.012, "gap_pbe_dir": 4.111, "gap_pbe_nosoc": 4.02, "gap_pbe_dir_nosoc": 4.119, "dipz": -0.001, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 9.165061791855695, "binding_energy_gs": 9.161343260704228, "distance": 3.3535437708575238}


unique_id: 4f01e40bdf22b9eb5213d4fd4307811a
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz--0.09_-0.69", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2--1_0_0_-1-Iz--0.09_-0.69", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz--0.09_-0.69", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.016, "gap_pbe_dir": 4.116, "gap_pbe_nosoc": 4.024, "gap_pbe_dir_nosoc": 4.125, "dipz": -0.001, "with_props": false, "slide_stability": "Unstable-Max", "binding_energy_zscan": 9.052617951548237, "binding_energy_gs": 9.048930362496932, "distance": 3.332525180698255}


unique_id: fd3778d9c79e1fe20ea1fbc34f44afed
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz--0.61_-0.89", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2--1_0_0_-1-Iz--0.61_-0.89", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz--0.61_-0.89", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.141, "gap_pbe_dir": 4.242, "gap_pbe_nosoc": 4.151, "gap_pbe_dir_nosoc": 4.251, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 8.449347185460729, "binding_energy_gs": 8.445624428132469, "distance": 3.507680098692134}


unique_id: d9e469dc2c5c4461e48f9e9bc5dd2296
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz-0.79_-0.09", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2--1_0_0_-1-Iz-0.79_-0.09", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz-0.79_-0.09", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.04, "gap_pbe_dir": 4.15, "gap_pbe_nosoc": 4.053, "gap_pbe_dir_nosoc": 4.166, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 7.768295146190535, "binding_energy_gs": 7.76450731383345, "distance": 3.5357048855711604}


unique_id: 492173b4787fdb9d62461021c9018df8
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz--0.99_-0.98", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2--1_0_0_-1-Iz--0.99_-0.98", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz--0.99_-0.98", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.055, "gap_pbe_dir": 4.154, "gap_pbe_nosoc": 4.064, "gap_pbe_dir_nosoc": 4.163, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 7.363126297098654, "binding_energy_gs": 7.3594360669590655, "distance": 3.6618164265267517}


unique_id: 1c28c45e22d6e4ed41352943a287d12d
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz--0.96_-0.1", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2--1_0_0_-1-Iz--0.96_-0.1", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2--1_0_0_-1-Iz--0.96_-0.1", "number_of_layers": 2, "nspecies": 2, "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": 9014252, "gap_pbe": 4.033, "gap_pbe_dir": 4.139, "gap_pbe_nosoc": 4.042, "gap_pbe_dir_nosoc": 4.148, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 7.19784926186626, "binding_energy_gs": 7.194076986368736, "distance": 3.6758288199662594}


unique_id: 5596d5a06cbcf0c9238b39e2c65b3c1b
username: jensj
key_value_pairs:
  {"uid": "As4O6-326f46f5ae16-2-1_0_0_1--0.5_-0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-326f46f5ae16/As4O6-2-1_0_0_1--0.5_-0.5", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-326f46f5ae16", "bilayer_uid": "As4O6-326f46f5ae16-2-1_0_0_1--0.5_-0.5", "number_of_layers": 2, "nspecies": 2, "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 1 0 3 2 5 4 7 6 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 9014252, "gap_pbe": 4.007, "gap_pbe_dir": 4.1, "gap_pbe_nosoc": 4.021, "gap_pbe_dir_nosoc": 4.124, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 6.559678808055609, "binding_energy_gs": 6.555806874228218, "distance": 3.82295895108113}


unique_id: fecb6c5dc9086730aaf386adde053501
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 50, "layer_group": "p-4", "space_group_number": 81, "space_group": "P-4", "equivalent_atoms": "[0 0 2 2 4 0 0 2 2 4]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 183096, "ehull": 0.02096070776779091, "dynamically_stable": "Yes", "gap_pbe": 3.791, "gap_pbe_dir": 3.791, "gap_pbe_nosoc": 3.796, "gap_pbe_dir_nosoc": 3.796, "dipz": -0.0}


unique_id: 4984aba1d9c41981f70e3fa1e8c0f831
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz-0.41_-0.05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz-0.41_-0.05", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz-0.41_-0.05", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 7, "layer_group": "p112/a", "space_group_number": 13, "space_group": "P2/c", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7 9 0 0 2 2 4 5 5 7 7 9]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 183096, "gap_pbe": 3.693, "gap_pbe_dir": 3.693, "gap_pbe_nosoc": 3.699, "gap_pbe_dir_nosoc": 3.699, "dipz": -0.001, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 10.70337508431626, "binding_energy_gs": 10.701511459235906, "distance": 2.6834775597258798}


unique_id: cf82486d7111cf994cfe4858b132d89c
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz-0.56_0.78", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz-0.56_0.78", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz-0.56_0.78", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.68, "gap_pbe_dir": 3.701, "gap_pbe_nosoc": 3.686, "gap_pbe_dir_nosoc": 3.706, "dipz": -0.001, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 9.369882920697059, "binding_energy_gs": 9.368069439837559, "distance": 2.8620645354479137}


unique_id: 9fc50f85780ff92e15b3787d7393f344
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.675, "gap_pbe_dir": 3.675, "gap_pbe_nosoc": 3.681, "gap_pbe_dir_nosoc": 3.681, "dipz": -0.001, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 9.130840697912346, "binding_energy_gs": 9.128979547372394, "distance": 2.928396840716097}


unique_id: 32a788d31630c5598e2b34e186b7ae1f
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz-0.78_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz-0.78_0", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz-0.78_0", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.589, "gap_pbe_dir": 3.589, "gap_pbe_nosoc": 3.593, "gap_pbe_dir_nosoc": 3.593, "dipz": -0.001, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 9.054480079409089, "binding_energy_gs": 9.052688049441741, "distance": 2.7906297451591016}


unique_id: a8882fc290572d9b513aca92247ff0c4
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.87_-0.1", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz--0.87_-0.1", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.87_-0.1", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.611, "gap_pbe_dir": 3.611, "gap_pbe_nosoc": 3.616, "gap_pbe_dir_nosoc": 3.616, "dipz": -0.001, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 8.770566418808595, "binding_energy_gs": 8.768775865371227, "distance": 2.8977819305923163}


unique_id: 60bdb62bdd547bc875f7da3d4258ab85
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2-1_0_0_1-Iz-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2-1_0_0_1-Iz-0_0.5", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2-1_0_0_1-Iz-0_0.5", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 7, "layer_group": "p112/a", "space_group_number": 13, "space_group": "P2/c", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7 9 0 0 2 2 4 5 5 7 7 9]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 183096, "gap_pbe": 3.615, "gap_pbe_dir": 3.615, "gap_pbe_nosoc": 3.619, "gap_pbe_dir_nosoc": 3.619, "dipz": -0.001, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 8.662279234786677, "binding_energy_gs": 8.660463819905322, "distance": 2.821244655282875}


unique_id: 677a9bb407b6152d7488bfa35288ddb7
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2-1_0_0_1-0_0", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 50, "layer_group": "p-4", "space_group_number": 81, "space_group": "P-4", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7 9 5 5 7 7 9 0 0 2 2 4]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 183096, "gap_pbe": 3.586, "gap_pbe_dir": 3.586, "gap_pbe_nosoc": 3.591, "gap_pbe_dir_nosoc": 3.591, "dipz": -0.001, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 8.541225120156346, "binding_energy_gs": 8.539366098252819, "distance": 3.2753600630272324}


unique_id: 7900a69acd90777af8a8b4dc2491c6fa
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2-1_0_0_1--0.1_-0.89", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2-1_0_0_1--0.1_-0.89", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2-1_0_0_1--0.1_-0.89", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.621, "gap_pbe_dir": 3.621, "gap_pbe_nosoc": 3.625, "gap_pbe_dir_nosoc": 3.625, "dipz": -0.007, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 8.432554591697743, "binding_energy_gs": 8.430768824251329, "distance": 3.234540182862194}


unique_id: 615cd7b98568167363b4e9adffdc8f62
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz-0.73_0.11", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz-0.73_0.11", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz-0.73_0.11", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.593, "gap_pbe_dir": 3.593, "gap_pbe_nosoc": 3.598, "gap_pbe_dir_nosoc": 3.598, "dipz": -0.001, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 8.158426247377658, "binding_energy_gs": 8.15660684165546, "distance": 2.9794216909223934}


unique_id: c6fa539c01eea194548f98945079e9dd
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.96_-0.99", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz--0.96_-0.99", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.96_-0.99", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.649, "gap_pbe_dir": 3.649, "gap_pbe_nosoc": 3.654, "gap_pbe_dir_nosoc": 3.654, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 7.691392022708299, "binding_energy_gs": 7.689566101028511, "distance": 3.06106145125246}


unique_id: 81adeee02146339037f1865eca06dc7f
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.53_-0.27", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz--0.53_-0.27", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.53_-0.27", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.652, "gap_pbe_dir": 3.673, "gap_pbe_nosoc": 3.658, "gap_pbe_dir_nosoc": 3.679, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 7.57687665148867, "binding_energy_gs": 7.574999285314163, "distance": 3.214136001871349}


unique_id: d9f3236df94fbf9c5c0cb648ccaf4abf
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.31_-0.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz--0.31_-0.2", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.31_-0.2", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.72, "gap_pbe_dir": 3.732, "gap_pbe_nosoc": 3.726, "gap_pbe_dir_nosoc": 3.737, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 7.279189065682203, "binding_energy_gs": 7.277371194328203, "distance": 3.203931031830084}


unique_id: 5938e7419fe948317b924f7c1738a1f3
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2-1_0_0_1--0.76_-0.88", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2-1_0_0_1--0.76_-0.88", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2-1_0_0_1--0.76_-0.88", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.612, "gap_pbe_dir": 3.612, "gap_pbe_nosoc": 3.618, "gap_pbe_dir_nosoc": 3.618, "dipz": 0.012, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 7.183875765506596, "binding_energy_gs": 7.18208611461496, "distance": 3.3008724881303806}


unique_id: b4f51cf5eecdee7fee20a6b4dad5c80e
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.43_0.62", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz--0.43_0.62", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.43_0.62", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.538, "gap_pbe_dir": 3.538, "gap_pbe_nosoc": 3.543, "gap_pbe_dir_nosoc": 3.543, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 7.159145218831033, "binding_energy_gs": 7.15730228184169, "distance": 3.214136001871349}


unique_id: e17a14b652bdc6a24175fef67fcc7d58
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2-1_0_0_1-0.67_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2-1_0_0_1-0.67_-0.01", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2-1_0_0_1-0.67_-0.01", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.565, "gap_pbe_dir": 3.565, "gap_pbe_nosoc": 3.571, "gap_pbe_dir_nosoc": 3.571, "dipz": 0.03, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 6.9087788618836035, "binding_energy_gs": 6.906985560321926, "distance": 3.2804625480478613}


unique_id: c00d937051d86604994f1b974f04e51a
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.77_0.79", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz--0.77_0.79", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.77_0.79", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.646, "gap_pbe_dir": 3.646, "gap_pbe_nosoc": 3.652, "gap_pbe_dir_nosoc": 3.652, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 6.908157757239669, "binding_energy_gs": 6.906351876659654, "distance": 3.300878247222048}


unique_id: b26d9dfabc15e4e7ab8d1c55583644d0
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2-1_0_0_1--0.17_0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2-1_0_0_1--0.17_0.66", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2-1_0_0_1--0.17_0.66", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.504, "gap_pbe_dir": 3.504, "gap_pbe_nosoc": 3.51, "gap_pbe_dir_nosoc": 3.51, "dipz": -0.041, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 6.897304297535229, "binding_energy_gs": 6.895486010429033, "distance": 3.219232727800307}


unique_id: 71c2cb4c8406807bf7b658db9499f8f3
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.1_0.79", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz--0.1_0.79", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.1_0.79", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.696, "gap_pbe_dir": 3.696, "gap_pbe_nosoc": 3.701, "gap_pbe_dir_nosoc": 3.701, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 6.854238955117462, "binding_energy_gs": 6.85242436742427, "distance": 3.219238486891978}


unique_id: 81eea92ebe2a21dd6afa89290c51ab43
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-0.5_0.5", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-0.5_0.5", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.483, "gap_pbe_dir": 3.483, "gap_pbe_nosoc": 3.489, "gap_pbe_dir_nosoc": 3.489, "dipz": 0.045, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 6.552867661446883, "binding_energy_gs": 6.5510765670896935, "distance": 3.2855650330684902}


unique_id: a4f62c261c3fac38b626ba10cd09de8c
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.86_-0.43", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz--0.86_-0.43", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.86_-0.43", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.412, "gap_pbe_dir": 3.412, "gap_pbe_nosoc": 3.417, "gap_pbe_dir_nosoc": 3.417, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 6.080731842464133, "binding_energy_gs": 6.07895580101859, "distance": 3.362108067469606}


unique_id: 56de4909b22a4b0ee8ea1b407b43862d
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2-1_0_0_1-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 3, "layer_group": "p112", "space_group_number": 3, "space_group": "P2", "equivalent_atoms": "[ 0  0  2  2  4  5  5  7  7  9 10 10 12 12 14 15 15 17 17 19]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 183096, "gap_pbe": 3.458, "gap_pbe_dir": 3.458, "gap_pbe_nosoc": 3.464, "gap_pbe_dir_nosoc": 3.464, "dipz": 0.046, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 5.986842039352034, "binding_energy_gs": 5.985063574980692, "distance": 3.382512248460447}


unique_id: 17f70802776955e4a5b05e2f9c0e2f3f
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz-0.56_0.24", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz-0.56_0.24", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz-0.56_0.24", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.597, "gap_pbe_dir": 3.597, "gap_pbe_nosoc": 3.601, "gap_pbe_dir_nosoc": 3.601, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 5.87533426556622, "binding_energy_gs": 5.873462013349078, "distance": 3.540695043191633}


unique_id: aa629ebd3016ba4845f08f2bf400f889
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz-0.57_0.44", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz-0.57_0.44", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz-0.57_0.44", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.412, "gap_pbe_dir": 3.412, "gap_pbe_nosoc": 3.416, "gap_pbe_dir_nosoc": 3.416, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 5.785442067601636, "binding_energy_gs": 5.783582854753865, "distance": 3.4998751630266014}


unique_id: 2096858a3aabab917f3ab455d8e15ef8
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz-0.5_0.5", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz-0.5_0.5", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.461, "gap_pbe_dir": 3.461, "gap_pbe_nosoc": 3.464, "gap_pbe_dir_nosoc": 3.464, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 5.53896902609257, "binding_energy_gs": 5.5372010866108985, "distance": 3.591719893397933}


unique_id: 8aad7b8c5d5c1746bb14076556cf9fd1
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2-1_0_0_1-0.5_-0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2-1_0_0_1-0.5_-0.5", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2-1_0_0_1-0.5_-0.5", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 50, "layer_group": "p-4", "space_group_number": 81, "space_group": "P-4", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7 9 5 5 7 7 9 0 0 2 2 4]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 183096, "gap_pbe": 3.457, "gap_pbe_dir": 3.457, "gap_pbe_nosoc": 3.461, "gap_pbe_dir_nosoc": 3.461, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 5.453061231139379, "binding_energy_gs": 5.451185256837521, "distance": 3.2753600630272324}


unique_id: efd5edc300df3b33bb89c0a43fded40b
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2-1_0_0_1-0.66_0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2-1_0_0_1-0.66_0.32", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2-1_0_0_1-0.66_0.32", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.511, "gap_pbe_dir": 3.511, "gap_pbe_nosoc": 3.515, "gap_pbe_dir_nosoc": 3.515, "dipz": 0.006, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 5.444711755510387, "binding_energy_gs": 5.442950646145901, "distance": 3.40292218854297}


unique_id: 9a77e84a5e4b7840d2086dbcc593306c
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.03_-0.77", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz--0.03_-0.77", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.03_-0.77", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.587, "gap_pbe_dir": 3.587, "gap_pbe_nosoc": 3.593, "gap_pbe_dir_nosoc": 3.593, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 5.362925051642641, "binding_energy_gs": 5.361133770460958, "distance": 3.5100801330678593}


unique_id: 5d57fcd22e64c97aa7beac3552a89db4
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.65_0.56", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz--0.65_0.56", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.65_0.56", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.514, "gap_pbe_dir": 3.514, "gap_pbe_nosoc": 3.518, "gap_pbe_dir_nosoc": 3.518, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 5.3396780118693865, "binding_energy_gs": 5.337817370452264, "distance": 3.693769593810522}


unique_id: 97a4d76072965b2c5b341f10da776720
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.469, "gap_pbe_dir": 3.469, "gap_pbe_nosoc": 3.473, "gap_pbe_dir_nosoc": 3.473, "dipz": -0.01, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 5.276063838267965, "binding_energy_gs": 5.274291954494184, "distance": 3.341692368295412}


unique_id: d45408becdb7a11329c2f74cb2486a9f
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 7, "layer_group": "p112/a", "space_group_number": 13, "space_group": "P2/c", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7 9 0 0 2 2 4 5 5 7 7 9]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 183096, "gap_pbe": 3.478, "gap_pbe_dir": 3.478, "gap_pbe_nosoc": 3.482, "gap_pbe_dir_nosoc": 3.482, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 5.193442229900197, "binding_energy_gs": 5.191641810106833, "distance": 3.7192820189136704}


unique_id: 1870865f7dedf7932d8db935ccfc654b
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2-1_0_0_1--0.44_-0.72", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2-1_0_0_1--0.44_-0.72", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2-1_0_0_1--0.44_-0.72", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.467, "gap_pbe_dir": 3.467, "gap_pbe_nosoc": 3.471, "gap_pbe_dir_nosoc": 3.471, "dipz": 0.033, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 5.147813859958172, "binding_energy_gs": 5.145952426020626, "distance": 3.489664433893669}


unique_id: c23d0f817e10e512ac05a9afd9da277f
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2-1_0_0_1--0.22_-0.65", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2-1_0_0_1--0.22_-0.65", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2-1_0_0_1--0.22_-0.65", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.541, "gap_pbe_dir": 3.541, "gap_pbe_nosoc": 3.546, "gap_pbe_dir_nosoc": 3.546, "dipz": -0.018, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 5.123524677180947, "binding_energy_gs": 5.121706547001322, "distance": 3.6070215893681485}


unique_id: d74c10f154d24414b378bae56d3811a9
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2-1_0_0_1--0.87_-0.44", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2-1_0_0_1--0.87_-0.44", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2-1_0_0_1--0.87_-0.44", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.499, "gap_pbe_dir": 3.499, "gap_pbe_nosoc": 3.504, "gap_pbe_dir_nosoc": 3.504, "dipz": -0.037, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 5.021314924230955, "binding_energy_gs": 5.019472125969344, "distance": 3.6325340144712968}


unique_id: 20bfa783975e8a6c10f1dc9b95179949
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.2_0.36", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz--0.2_0.36", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.2_0.36", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.412, "gap_pbe_dir": 3.412, "gap_pbe_nosoc": 3.417, "gap_pbe_dir_nosoc": 3.417, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 4.331820198159428, "binding_energy_gs": 4.3299368696066205, "distance": 3.7652043840993343}


unique_id: c11cc96fe896c2687ff41d8f98e87604
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.19_-0.44", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz--0.19_-0.44", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.19_-0.44", "number_of_layers": 2, "nspecies": 2, "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": 183096, "gap_pbe": 3.443, "gap_pbe_dir": 3.443, "gap_pbe_nosoc": 3.448, "gap_pbe_dir_nosoc": 3.448, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 4.25077358489293, "binding_energy_gs": 4.2489476973943, "distance": 3.800921779243737}


unique_id: 5626f2650bc4ac47b7ef0b7b8b21434c
username: jensj
key_value_pairs:
  {"uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.09_-0.55", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2O3/As4O6-f024bf8568d6/As4O6-2--1_0_0_-1-Iz--0.09_-0.55", "stoichiometry": "A2B3", "monolayer_uid": "As4O6-f024bf8568d6", "bilayer_uid": "As4O6-f024bf8568d6-2--1_0_0_-1-Iz--0.09_-0.55", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 6, "layer_group": "p112/m", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7 9 0 0 2 2 4 5 5 7 7 9]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 183096, "gap_pbe": 3.428, "gap_pbe_dir": 3.428, "gap_pbe_nosoc": 3.433, "gap_pbe_dir_nosoc": 3.433, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 3.4494083211397286, "binding_energy_gs": 3.447464596389729, "distance": 4.061148515295841}


unique_id: d4a80f9b09ecd201721d0da14d6b9763
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 32, "layer_group": "pm2_1n", "space_group_number": 31, "space_group": "Pmn2_1", "equivalent_atoms": "[0 0 0 0 4 4 4 4 8 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 9011471, "ehull": 0.002373706474886453, "dynamically_stable": "Yes", "gap_pbe": 1.735, "gap_pbe_dir": 1.892, "gap_pbe_nosoc": 1.764, "gap_pbe_dir_nosoc": 1.934, "dipz": -0.0}


unique_id: 83268f0b4ef9fd0020c603c65eec4402
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.98_1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2--1_0_0_-1-Iz--0.98_1.0", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.98_1.0", "number_of_layers": 2, "nspecies": 2, "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": 9011471, "gap_pbe": 1.538, "gap_pbe_dir": 1.549, "gap_pbe_nosoc": 1.565, "gap_pbe_dir_nosoc": 1.576, "dipz": -0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 16.368713616733018, "binding_energy_gs": 16.36534349686661, "distance": 2.28791662181057}


unique_id: db894ab6b34650cd99fa10e02255f42c
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2-1_0_0_1--0.5_0.27", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2-1_0_0_1--0.5_0.27", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2-1_0_0_1--0.5_0.27", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 8, "layer_group": "p211", "space_group_number": 3, "space_group": "P2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 6 7 4 5 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 9011471, "gap_pbe": 1.322, "gap_pbe_dir": 1.436, "gap_pbe_nosoc": 1.342, "gap_pbe_dir_nosoc": 1.465, "dipz": -0.001, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 15.836120629333347, "binding_energy_gs": 15.832798769088267, "distance": 2.294094488275725}


unique_id: 83bbee4efee566e3d65f1917b1be9c95
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.48_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2--1_0_0_-1-Iz--0.48_0.5", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.48_0.5", "number_of_layers": 2, "nspecies": 2, "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": 9011471, "gap_pbe": 1.403, "gap_pbe_dir": 1.552, "gap_pbe_nosoc": 1.431, "gap_pbe_dir_nosoc": 1.596, "dipz": -0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 15.205607587576058, "binding_energy_gs": 15.202315297309724, "distance": 2.430007550508421}


unique_id: c57cac5a9804bb268acddeee3963a702
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.32_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2--1_0_0_-1-Iz--0.32_0", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.32_0", "number_of_layers": 2, "nspecies": 2, "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": 9011471, "gap_pbe": 1.582, "gap_pbe_dir": 1.732, "gap_pbe_nosoc": 1.604, "gap_pbe_dir_nosoc": 1.79, "dipz": -0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 15.14984181678836, "binding_energy_gs": 15.146527575579317, "distance": 2.38676248525255}


unique_id: d959099cb9358a938be1227486641350
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2-1_0_0_1-0_0.72", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2-1_0_0_1-0_0.72", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2-1_0_0_1-0_0.72", "number_of_layers": 2, "nspecies": 2, "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 8 9 2 3 0 1 6 7 4 5 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 9011471, "gap_pbe": 1.589, "gap_pbe_dir": 1.684, "gap_pbe_nosoc": 1.625, "gap_pbe_dir_nosoc": 1.743, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 14.864735949153737, "binding_energy_gs": 14.861408795231135, "distance": 2.504141948089938}


unique_id: 62690e341c9513137d5adaad40a64acb
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz-0.18_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2--1_0_0_-1-Iz-0.18_0.5", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz-0.18_0.5", "number_of_layers": 2, "nspecies": 2, "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": 9011471, "gap_pbe": 1.443, "gap_pbe_dir": 1.474, "gap_pbe_nosoc": 1.471, "gap_pbe_dir_nosoc": 1.505, "dipz": -0.0, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 14.598190672120202, "binding_energy_gs": 14.594848674178749, "distance": 2.522675547485278}


unique_id: 59cfb305631a4db60854f1da9a3209a1
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2-1_0_0_1--0.5_0.22", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2-1_0_0_1--0.5_0.22", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2-1_0_0_1--0.5_0.22", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 8, "layer_group": "p211", "space_group_number": 3, "space_group": "P2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 6 7 4 5 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 9011471, "gap_pbe": 1.384, "gap_pbe_dir": 1.514, "gap_pbe_nosoc": 1.406, "gap_pbe_dir_nosoc": 1.555, "dipz": -0.0, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 14.41727981410029, "binding_energy_gs": 14.413953050358746, "distance": 2.448541149903825}


unique_id: 891ca8460393a2903af44bbda2a69d05
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2-1_0_0_1-0_0", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 32, "layer_group": "pm2_1n", "space_group_number": 31, "space_group": "Pmn2_1", "equivalent_atoms": "[0 1 1 0 4 5 5 4 8 9 1 0 0 1 5 4 4 5 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 9011471, "gap_pbe": 1.635, "gap_pbe_dir": 1.717, "gap_pbe_nosoc": 1.678, "gap_pbe_dir_nosoc": 1.764, "dipz": -0.0, "with_props": false, "slide_stability": "Stable", "binding_energy_zscan": 14.241205923555333, "binding_energy_gs": 14.237882366223527, "distance": 2.6956558085087785}


unique_id: b5fbb209a637769345b771a7a5e7c533
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.67_0.14", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2--1_0_0_-1-Iz--0.67_0.14", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.67_0.14", "number_of_layers": 2, "nspecies": 2, "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": 9011471, "gap_pbe": 1.364, "gap_pbe_dir": 1.461, "gap_pbe_nosoc": 1.388, "gap_pbe_dir_nosoc": 1.5, "dipz": -0.0, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 13.587293212110941, "binding_energy_gs": 13.583965141020762, "distance": 2.6215214109272615}


unique_id: a7f9ec50a00038fd27dc5d7c0aef0bc0
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2-1_0_0_1--0.85_0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2-1_0_0_1--0.85_0.08", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2-1_0_0_1--0.85_0.08", "number_of_layers": 2, "nspecies": 2, "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": 9011471, "gap_pbe": 1.585, "gap_pbe_dir": 1.699, "gap_pbe_nosoc": 1.636, "gap_pbe_dir_nosoc": 1.759, "dipz": 0.034, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.195444889763358, "binding_energy_gs": 13.192108922022134, "distance": 2.751256606694895}


unique_id: c64cbf3a33b185034f92dd7cb962b108
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz-0.22_0.78", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2--1_0_0_-1-Iz-0.22_0.78", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz-0.22_0.78", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 15, "layer_group": "p2_1/m11", "space_group_number": 11, "space_group": "P2_1/m", "equivalent_atoms": "[0 1 1 0 4 5 5 4 8 9 0 1 1 0 4 5 5 4 8 9]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 9011471, "gap_pbe": 1.532, "gap_pbe_dir": 1.567, "gap_pbe_nosoc": 1.554, "gap_pbe_dir_nosoc": 1.593, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.974300147496619, "binding_energy_gs": 12.971019649413531, "distance": 2.79450167195073}


unique_id: b7289be24248b3399fe4e8bbb05410b7
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.63_0.86", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2--1_0_0_-1-Iz--0.63_0.86", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.63_0.86", "number_of_layers": 2, "nspecies": 2, "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": 9011471, "gap_pbe": 1.53, "gap_pbe_dir": 1.621, "gap_pbe_nosoc": 1.554, "gap_pbe_dir_nosoc": 1.649, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.83511697691268, "binding_energy_gs": 12.8317857574888, "distance": 2.763612339625112}


unique_id: 77f52b7fd079bbc95eefbec0d14528ed
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2-1_0_0_1--0.85_0.64", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2-1_0_0_1--0.85_0.64", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2-1_0_0_1--0.85_0.64", "number_of_layers": 2, "nspecies": 2, "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": 9011471, "gap_pbe": 1.476, "gap_pbe_dir": 1.625, "gap_pbe_nosoc": 1.507, "gap_pbe_dir_nosoc": 1.668, "dipz": 0.019, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.818388460032427, "binding_energy_gs": 12.815039815491213, "distance": 2.6956558085087785}


unique_id: 9e5122c9f3ea4912db2f45e35ab39d86
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2-1_0_0_1-0_0.44", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2-1_0_0_1-0_0.44", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2-1_0_0_1-0_0.44", "number_of_layers": 2, "nspecies": 2, "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 8 9 2 3 0 1 6 7 4 5 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 9011471, "gap_pbe": 1.457, "gap_pbe_dir": 1.609, "gap_pbe_nosoc": 1.495, "gap_pbe_dir_nosoc": 1.643, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.691672182686125, "binding_energy_gs": 12.688364543274137, "distance": 2.708011541439028}


unique_id: f83b4b9564c97448009b10b2da1bfe2f
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2-1_0_0_1-0.01_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2-1_0_0_1-0.01_0.5", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2-1_0_0_1-0.01_0.5", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 28, "layer_group": "pm2_1b", "space_group_number": 26, "space_group": "Pmc2_1", "equivalent_atoms": "[0 1 1 0 4 5 5 4 8 9 1 0 0 1 5 4 4 5 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 9011471, "gap_pbe": 1.448, "gap_pbe_dir": 1.598, "gap_pbe_nosoc": 1.475, "gap_pbe_dir_nosoc": 1.63, "dipz": 0.002, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.619614058027219, "binding_energy_gs": 12.61628181021159, "distance": 2.6956558085087785}


unique_id: 3b0265905771092ad1f4ec811708df14
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz-0.22_0.22", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2--1_0_0_-1-Iz-0.22_0.22", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz-0.22_0.22", "number_of_layers": 2, "nspecies": 2, "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": 9011471, "gap_pbe": 1.303, "gap_pbe_dir": 1.376, "gap_pbe_nosoc": 1.326, "gap_pbe_dir_nosoc": 1.411, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.16289521477162, "binding_energy_gs": 12.159566353016137, "distance": 2.720367274369245}


unique_id: 3420351e63092211ec4359b54fab6b2b
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2-1_0_0_1--0.35_0.14", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2-1_0_0_1--0.35_0.14", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2-1_0_0_1--0.35_0.14", "number_of_layers": 2, "nspecies": 2, "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": 9011471, "gap_pbe": 1.533, "gap_pbe_dir": 1.641, "gap_pbe_nosoc": 1.571, "gap_pbe_dir_nosoc": 1.698, "dipz": -0.009, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.721965671624192, "binding_energy_gs": 11.718636045119906, "distance": 2.8624582030671277}


unique_id: 820e18d6174fa74b3e6f608ed04cd120
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.48_0.78", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2--1_0_0_-1-Iz--0.48_0.78", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.48_0.78", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 15, "layer_group": "p2_1/m11", "space_group_number": 11, "space_group": "P2_1/m", "equivalent_atoms": "[0 1 1 0 4 5 5 4 8 9 0 1 1 0 4 5 5 4 8 9]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 9011471, "gap_pbe": 1.567, "gap_pbe_dir": 1.639, "gap_pbe_nosoc": 1.597, "gap_pbe_dir_nosoc": 1.673, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.205671150447056, "binding_energy_gs": 11.202331660564905, "distance": 2.9921933988346936}


unique_id: 123458db40a5e81226e44e6b8626e20e
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.13_0.92", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2--1_0_0_-1-Iz--0.13_0.92", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.13_0.92", "number_of_layers": 2, "nspecies": 2, "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": 9011471, "gap_pbe": 1.615, "gap_pbe_dir": 1.729, "gap_pbe_nosoc": 1.639, "gap_pbe_dir_nosoc": 1.764, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.19491129003788, "binding_energy_gs": 11.19158638291496, "distance": 2.911881134788082}


unique_id: 29b8b03d1337b7b80e0a8b10bb199b9c
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2-1_0_0_1--0.5_-0.06", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2-1_0_0_1--0.5_-0.06", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2-1_0_0_1--0.5_-0.06", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 8, "layer_group": "p211", "space_group_number": 3, "space_group": "P2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 6 7 4 5 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 9011471, "gap_pbe": 1.545, "gap_pbe_dir": 1.651, "gap_pbe_nosoc": 1.576, "gap_pbe_dir_nosoc": 1.702, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 10.177250763870337, "binding_energy_gs": 10.173916286613963, "distance": 3.1342843275325762}


unique_id: 521a339c5fc60776e08b4b157c835dd3
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2-1_0_0_1-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 31, "layer_group": "pm2a", "space_group_number": 28, "space_group": "Pma2", "equivalent_atoms": "[0 1 1 0 4 5 5 4 8 9 1 0 0 1 5 4 4 5 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 9011471, "gap_pbe": 1.546, "gap_pbe_dir": 1.652, "gap_pbe_nosoc": 1.575, "gap_pbe_dir_nosoc": 1.699, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 10.043687190049551, "binding_energy_gs": 10.040354516902152, "distance": 3.158995793393075}


unique_id: aa7d68405059d2513e79f5bcbd06b7df
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.13_0.36", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2--1_0_0_-1-Iz--0.13_0.36", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.13_0.36", "number_of_layers": 2, "nspecies": 2, "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": 9011471, "gap_pbe": 1.53, "gap_pbe_dir": 1.627, "gap_pbe_nosoc": 1.557, "gap_pbe_dir_nosoc": 1.665, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.750815579776484, "binding_energy_gs": 9.7474854097719, "distance": 3.0972171287418}


unique_id: ea8b88fb9e5de202f6ce05bae8576685
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.28_0.72", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2--1_0_0_-1-Iz--0.28_0.72", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.28_0.72", "number_of_layers": 2, "nspecies": 2, "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": 9011471, "gap_pbe": 1.627, "gap_pbe_dir": 1.693, "gap_pbe_nosoc": 1.657, "gap_pbe_dir_nosoc": 1.729, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.734845723106682, "binding_energy_gs": 9.731533173534038, "distance": 3.1960629921837835}


unique_id: 8fc5678ffd248c8e9203727964f27b1a
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.98_0.28", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2--1_0_0_-1-Iz--0.98_0.28", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz--0.98_0.28", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 14, "layer_group": "p2/m11", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 1 0 4 5 5 4 8 9 0 1 1 0 4 5 5 4 8 9]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 9011471, "gap_pbe": 1.453, "gap_pbe_dir": 1.523, "gap_pbe_nosoc": 1.478, "gap_pbe_dir_nosoc": 1.557, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.675289684155624, "binding_energy_gs": 9.671952959684905, "distance": 3.0848613958115543}


unique_id: b60908906d9cb2d7639a6c01c4cf1303
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2-1_0_0_1--0.35_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2-1_0_0_1--0.35_0.58", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2-1_0_0_1--0.35_0.58", "number_of_layers": 2, "nspecies": 2, "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": 9011471, "gap_pbe": 1.417, "gap_pbe_dir": 1.538, "gap_pbe_nosoc": 1.444, "gap_pbe_dir_nosoc": 1.585, "dipz": -0.017, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 8.962151241138342, "binding_energy_gs": 8.95881844464498, "distance": 3.1837072592535627}


unique_id: 3c34b75414ce3fd6c17bbb0e2ed5d522
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz-0.72_0.28", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2--1_0_0_-1-Iz-0.72_0.28", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2--1_0_0_-1-Iz-0.72_0.28", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 14, "layer_group": "p2/m11", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 1 0 4 5 5 4 8 9 0 1 1 0 4 5 5 4 8 9]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 9011471, "gap_pbe": 1.472, "gap_pbe_dir": 1.639, "gap_pbe_nosoc": 1.499, "gap_pbe_dir_nosoc": 1.681, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 8.586917307139062, "binding_energy_gs": 8.58359072033224, "distance": 3.325798187951385}


unique_id: ec67647e3d7e3a04e2aa9df6365a2313
username: jensj
key_value_pairs:
  {"uid": "As4Se6-b8c4c860d745-2-1_0_0_1--0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/As2Se3/As4Se6-b8c4c860d745/As4Se6-2-1_0_0_1--0.5_0.5", "stoichiometry": "A2B3", "monolayer_uid": "As4Se6-b8c4c860d745", "bilayer_uid": "As4Se6-b8c4c860d745-2-1_0_0_1--0.5_0.5", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 27, "layer_group": "pm2m", "space_group_number": 25, "space_group": "Pmm2", "equivalent_atoms": "[0 1 1 0 4 5 5 4 8 9 1 0 0 1 5 4 4 5 9 8]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 9011471, "gap_pbe": 1.421, "gap_pbe_dir": 1.546, "gap_pbe_nosoc": 1.446, "gap_pbe_dir_nosoc": 1.603, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 7.351038850825632, "binding_energy_gs": 7.3477234664803195, "distance": 3.523489914835384}


unique_id: d6390678798f91c8a01657602319c3b0
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 0 1 4 5 6 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "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: 69c8e6d90dedac9b90f90d9ebe85c012
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.1_0.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2-1_0_0_1-0.1_0.2", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.1_0.2", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.001, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 29.98651386293193, "binding_energy_gs": 30.05583333013223, "distance": 2.3580216484552103}


unique_id: fbae0ab92f722227e6b308e154bbd1ee
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.53_0.06", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2-1_0_0_1-0.53_0.06", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.53_0.06", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 29.769867129748384, "binding_energy_gs": 29.804424707309078, "distance": 2.334710074765109}


unique_id: dafecaac0fa0c5d30d0b7bdc29007596
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1--0.48_0.04", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2-1_0_0_1--0.48_0.04", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1--0.48_0.04", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 29.592445971969372, "binding_energy_gs": 29.60934141471098, "distance": 2.3269395502017396}


unique_id: 386e88a4a265c872e255feaa8b48d323
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1--0.2_0.59", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2--1_0_0_-1--0.2_0.59", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1--0.2_0.59", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "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": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.004, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 29.20063632197033, "binding_energy_gs": 29.272013202910088, "distance": 2.356213509597101}


unique_id: 8e184efc0c1cdbff2979b3797c32d7fe
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1--0.21_0.59", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2--1_0_0_-1--0.21_0.59", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1--0.21_0.59", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "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": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.004, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 29.194885240782092, "binding_energy_gs": 29.267396228156866, "distance": 2.3580216484552103}


unique_id: cd607f46caccefa3c7bda4d898ca809c
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.43_0.86", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2-1_0_0_1-0.43_0.86", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.43_0.86", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 28.593581439158452, "binding_energy_gs": 28.694107291027535, "distance": 2.3934365813233605}


unique_id: 71a5d8df17ec174f8037d8ca2fc80360
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.43_0.85", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2-1_0_0_1-0.43_0.85", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.43_0.85", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 28.56561291930591, "binding_energy_gs": 28.665846274064922, "distance": 2.388275769694701}


unique_id: e65210f63c07ae025dc486f76394e998
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1--0.13_0.74", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2--1_0_0_-1--0.13_0.74", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1--0.13_0.74", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "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": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.008, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 28.41862188299942, "binding_energy_gs": 28.53416891764672, "distance": 2.4590384677789814}


unique_id: 9edd007144ca2593ed41afafd0bbf1f2
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1--0.17_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2--1_0_0_-1--0.17_-0.33", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1--0.17_-0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "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": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.007, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 28.27676569005856, "binding_energy_gs": 28.394418908827113, "distance": 2.4590384677789814}


unique_id: e822a8f45112b624145d28e8020db198
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.15_-0.71", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2-1_0_0_1-0.15_-0.71", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.15_-0.71", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.001, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 28.094218406395996, "binding_energy_gs": 28.221316569121505, "distance": 2.497891090595818}


unique_id: 5cd6900c82c53f8f3be4fee9417ca0f5
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.42_0.83", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2-1_0_0_1-0.42_0.83", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.42_0.83", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 28.08159112412921, "binding_energy_gs": 28.190712094723313, "distance": 2.427956369525514}


unique_id: 62a8c8b94ed0868763ed497de25b309c
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.46_-0.09", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2-1_0_0_1-0.46_-0.09", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.46_-0.09", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.001, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 27.93279962011031, "binding_energy_gs": 28.01267240019644, "distance": 2.4201858449621483}


unique_id: 4cb6faeedbe92776965e319c6f373930
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.56_0.13", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2-1_0_0_1-0.56_0.13", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.56_0.13", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.001, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 27.413784692830536, "binding_energy_gs": 27.529367626547906, "distance": 2.5289731888492852}


unique_id: b652b011dd339f432c97eee9916a8a55
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1--0.81_-0.63", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2-1_0_0_1--0.81_-0.63", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1--0.81_-0.63", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 26.39642978341426, "binding_energy_gs": 26.52312966877931, "distance": 2.5833668607928537}


unique_id: bd4bf7a298514ac62e9a8d0587584e7e
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1-0.12_0.24", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2--1_0_0_-1-0.12_0.24", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1-0.12_0.24", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "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": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 26.089404132499435, "binding_energy_gs": 26.20145080031491, "distance": 2.606678434482955}


unique_id: 311d409e06df578cc05fe9b6e9ce1f33
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1-Iz-0.75_0.51", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2--1_0_0_-1-Iz-0.75_0.51", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1-Iz-0.75_0.51", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 0 1 2 3 4 5 6 7 8 9]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 25.828192845524836, "binding_energy_gs": 25.901617393729854, "distance": 2.4901203697068297}


unique_id: c6eb8357889754ed4cefbc660b3a25d2
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1-0.75_0.51", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2--1_0_0_-1-0.75_0.51", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1-0.75_0.51", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "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": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 25.700002962039495, "binding_energy_gs": 25.845382299544344, "distance": 2.6455310572997917}


unique_id: 89f0d6352cb4c9ba0201acf9660a2f09
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1--0.54_-0.09", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2--1_0_0_-1--0.54_-0.09", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1--0.54_-0.09", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "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": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.002, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 24.460811765262825, "binding_energy_gs": 24.543531491240046, "distance": 2.6688426309898894}


unique_id: 468b660e78c6d8e403c8d500c8de5e35
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1--0.36_0.28", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2--1_0_0_-1--0.36_0.28", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1--0.36_0.28", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "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": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 23.473869733061434, "binding_energy_gs": 23.633661580627695, "distance": 2.8475646959473337}


unique_id: 4d4f693f874fb08d56ea5d0567fb9cc6
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1--0.08_-0.15", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2-1_0_0_1--0.08_-0.15", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1--0.08_-0.15", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 23.420896407489806, "binding_energy_gs": 23.57028444204006, "distance": 2.8475646959473337}


unique_id: b66cdfbad0f1fdcf78377ec8b8ca1f43
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1--0.15_0.71", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2-1_0_0_1--0.15_0.71", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1--0.15_0.71", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 23.079291428771462, "binding_energy_gs": 23.170037000900514, "distance": 2.8242531222572325}


unique_id: 36b72cabcb55f30f5b91e73cf3f9289b
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1--0.22_0.55", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2-1_0_0_1--0.22_0.55", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1--0.22_0.55", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.911690736949197, "binding_energy_gs": 21.927419996286005, "distance": 2.7465478766235627}


unique_id: e2bd740e231ba6cd0c991f95d124c7df
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2-1_0_0_1-0_0", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.803269098365433, "binding_energy_gs": 21.93759375453838, "distance": 2.9563520398344707}


unique_id: ed497c6e7ae5539a067867a6a44ae37a
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.66_0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2-1_0_0_1-0.66_0.32", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.66_0.32", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.723950101991026, "binding_energy_gs": 21.900081030792943, "distance": 2.979663613524572}


unique_id: 81db6ba96f0cdb6f49837062a9373db0
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1--0.38_0.24", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2-1_0_0_1--0.38_0.24", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1--0.38_0.24", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.469510846985475, "binding_energy_gs": 21.640863542292685, "distance": 2.979663613524572}


unique_id: 64385eb08d7769982f62a1188d227b85
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1--0.32_-0.64", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2--1_0_0_-1--0.32_-0.64", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1--0.32_-0.64", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "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": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.449479523574126, "binding_energy_gs": 21.621211531395765, "distance": 3.0029751872146733}


unique_id: ef7e41b8df6ddee9b336d2bcb6c8883d
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.38_-0.24", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2-1_0_0_1-0.38_-0.24", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1-0.38_-0.24", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.05875080133733, "binding_energy_gs": 21.216731879530105, "distance": 2.971893088961206}


unique_id: 8c208fb01f6bced83fa8dbd5acc47b47
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2--1_0_0_-1-0.5_0", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "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": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 20.77435690137219, "binding_energy_gs": 20.837218698178855, "distance": 2.9019583678909022}


unique_id: 70309ebc7b1f917f58b7bd50e5b0ad91
username: jensj
key_value_pairs:
  {"uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1--0.19_-0.37", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Ta2Te3/Ta4Te6-cc9232c975ec/Ta4Te6-2-1_0_0_1--0.19_-0.37", "stoichiometry": "A2B3", "monolayer_uid": "Ta4Te6-cc9232c975ec", "bilayer_uid": "Ta4Te6-cc9232c975ec-2-1_0_0_1--0.19_-0.37", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 9 2 3 0 1 7 8 9 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1539830, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 20.55850808188628, "binding_energy_gs": 20.63995109348536, "distance": 2.971893088961206}


unique_id: 7fc84825024ec2dca6d1a2002c32e5ab
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Te2Hf3-17c9630530fc", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Te2Hf3/Te2Hf3-17c9630530fc", "stoichiometry": "A2B3", "monolayer_uid": "Te2Hf3-17c9630530fc", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 61, "layer_group": "p4/mmm", "space_group_number": 123, "space_group": "P4/mmm", "equivalent_atoms": "[0 1 2 1 2]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 75936, "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: 76ae3c1df5695a548b6a8059df76772b
username: jensj
key_value_pairs:
  {"uid": "Te2Hf3-17c9630530fc-2-1_0_0_1-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B3/Te2Hf3/Te2Hf3-17c9630530fc/Hf3Te2-2-1_0_0_1-0.5_0.5", "stoichiometry": "A2B3", "monolayer_uid": "Te2Hf3-17c9630530fc", "bilayer_uid": "Te2Hf3-17c9630530fc-2-1_0_0_1-0.5_0.5", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 64, "layer_group": "p4/nmm", "space_group_number": 129, "space_group": "P4/nmm", "equivalent_atoms": "[0 1 2 3 4 0 3 4 1 2]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 75936, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 41.37497522734538, "binding_energy_gs": 41.30477914143175, "distance": 2.885431419757495}


unique_id: 2ead73562d5e83d7d819f568cb979b76
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "F2C3Hf4-98567773c3de", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Hf4/F2C3Hf4-98567773c3de", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Hf4-98567773c3de", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.005973613427967539, "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: 30d6223d4852faf9a59bed4c423e0ce2
username: jensj
key_value_pairs:
  {"uid": "F2C3Hf4-98567773c3de-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Hf4/F2C3Hf4-98567773c3de/C3F2Hf4-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Hf4-98567773c3de", "bilayer_uid": "F2C3Hf4-98567773c3de-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 45.165385314944835, "binding_energy_gs": 32.75579857979489, "distance": 2.0101346752024227}


unique_id: 7679da2ab40b76c12d8e3cb12e1c5862
username: jensj
key_value_pairs:
  {"uid": "F2C3Hf4-98567773c3de-2-1_-1_1_0--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Hf4/F2C3Hf4-98567773c3de/C3F2Hf4-2-1_-1_1_0--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Hf4-98567773c3de", "bilayer_uid": "F2C3Hf4-98567773c3de-2-1_-1_1_0--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  8  9 10 11 12 13 14 15 16 17]", "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 42.43183900965507, "binding_energy_gs": 30.0244701436774, "distance": 2.0941871140521506}


unique_id: e7a71ba029456ad99e17a2592fc4879b
username: jensj
key_value_pairs:
  {"uid": "F2C3Hf4-98567773c3de-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Hf4/F2C3Hf4-98567773c3de/C3F2Hf4-2-1_0_0_1-0_0", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Hf4-98567773c3de", "bilayer_uid": "F2C3Hf4-98567773c3de-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 39.338110152603406, "binding_energy_gs": 26.938694467158573, "distance": 2.220265772326748}


unique_id: 9a1f2919afc82a1ebeaeb4a6e6fbbb1b
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "F2C3Sc4-68335e018d78", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Sc4/F2C3Sc4-68335e018d78", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Sc4-68335e018d78", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.1570493023475592, "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: 15d1ef8c3183d313fb179b5c850f9c7c
username: jensj
key_value_pairs:
  {"uid": "F2C3Sc4-68335e018d78-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Sc4/F2C3Sc4-68335e018d78/C3F2Sc4-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Sc4-68335e018d78", "bilayer_uid": "F2C3Sc4-68335e018d78-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "None", "binding_energy_zscan": 39.56697952996477, "distance": 2.0820839375894558}


unique_id: 6a7b7f6cce7fb9781c7ba318fcdfe49e
username: jensj
key_value_pairs:
  {"uid": "F2C3Sc4-68335e018d78-2-1_-1_1_0--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Sc4/F2C3Sc4-68335e018d78/C3F2Sc4-2-1_-1_1_0--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Sc4-68335e018d78", "bilayer_uid": "F2C3Sc4-68335e018d78-2-1_-1_1_0--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  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "None", "binding_energy_zscan": 36.61816696153193, "distance": 2.1843614078182796}


unique_id: bcec9a374f5fe1d4ba3550b778b649d0
username: jensj
key_value_pairs:
  {"uid": "F2C3Sc4-68335e018d78-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Sc4/F2C3Sc4-68335e018d78/C3F2Sc4-2-1_0_0_1-0_0", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Sc4-68335e018d78", "bilayer_uid": "F2C3Sc4-68335e018d78-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 33.49139488618338, "distance": 2.334769452272436}


unique_id: 42b8b0392d79da1e5b9236832a44640e
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "F2C3Ti4-1912543ecb09", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Ti4/F2C3Ti4-1912543ecb09", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Ti4-1912543ecb09", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7]", "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: c9e4b14126896c81f2702a6410995012
username: jensj
key_value_pairs:
  {"uid": "F2C3Ti4-1912543ecb09-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Ti4/F2C3Ti4-1912543ecb09/C3F2Ti4-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Ti4-1912543ecb09", "bilayer_uid": "F2C3Ti4-1912543ecb09-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 52.44633973706265, "binding_energy_gs": 30.930672051651275, "distance": 2.2301626434700985}


unique_id: 18adacf66266deffd815fc5ca30d715d
username: jensj
key_value_pairs:
  {"uid": "F2C3Ti4-1912543ecb09-2-1_-1_1_0--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Ti4/F2C3Ti4-1912543ecb09/C3F2Ti4-2-1_-1_1_0--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Ti4-1912543ecb09", "bilayer_uid": "F2C3Ti4-1912543ecb09-2-1_-1_1_0--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  8  9 10 11 12 13 14 15 16 17]", "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 51.42024557205633, "binding_energy_gs": 29.905823778224505, "distance": 2.2588953961311944}


unique_id: 9e56c5544818d307513cf5076309a3bd
username: jensj
key_value_pairs:
  {"uid": "F2C3Ti4-1912543ecb09-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Ti4/F2C3Ti4-1912543ecb09/C3F2Ti4-2-1_0_0_1-0_0", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Ti4-1912543ecb09", "bilayer_uid": "F2C3Ti4-1912543ecb09-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 50.27500764080551, "binding_energy_gs": 28.763323466639566, "distance": 2.299121249856732}


unique_id: e06fea16c7735e289a0e6d0345ff014c
username: jensj
key_value_pairs:
  {"uid": "F2C3Ti4-1912543ecb09-2-1_0_0_1-0.33_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Ti4/F2C3Ti4-1912543ecb09/C3F2Ti4-2-1_0_0_1-0.33_0.67", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Ti4-1912543ecb09", "bilayer_uid": "F2C3Ti4-1912543ecb09-2-1_0_0_1-0.33_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 42.989626979193254, "binding_energy_gs": 21.473530791410308, "distance": 2.77608494403097}


unique_id: f969be3dcd096440125c243034e1b23f
username: jensj
key_value_pairs:
  {"uid": "F2C3Ti4-1912543ecb09-2-1_-1_1_0-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Ti4/F2C3Ti4-1912543ecb09/C3F2Ti4-2-1_-1_1_0-0_0", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Ti4-1912543ecb09", "bilayer_uid": "F2C3Ti4-1912543ecb09-2-1_-1_1_0-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 42.89500063244692, "binding_energy_gs": 21.380525487953726, "distance": 2.787578045095408}


unique_id: 15204c92e58c78bb619f9276d4013cd5
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "F2C3Y4-65f7e24d1dd5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Y4/F2C3Y4-65f7e24d1dd5", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Y4-65f7e24d1dd5", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.18179482150687454, "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: 731d092a49b8a48f826fda454a40d3a3
username: jensj
key_value_pairs:
  {"uid": "F2C3Y4-65f7e24d1dd5-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Y4/F2C3Y4-65f7e24d1dd5/C3F2Y4-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Y4-65f7e24d1dd5", "bilayer_uid": "F2C3Y4-65f7e24d1dd5-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 51.5097769503037, "binding_energy_gs": 41.14396971079152, "distance": 1.5994913511731355}


unique_id: f9b6e7e86e244dd2b855f415a9c5dd90
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "F2C3Zr4-ce8b99067984", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Zr4/F2C3Zr4-ce8b99067984", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Zr4-ce8b99067984", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.004888404019673276, "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: 31c9f22c8c36df3927f1b34f1cb00e33
username: jensj
key_value_pairs:
  {"uid": "F2C3Zr4-ce8b99067984-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Zr4/F2C3Zr4-ce8b99067984/C3F2Zr4-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Zr4-ce8b99067984", "bilayer_uid": "F2C3Zr4-ce8b99067984-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 45.24148479963099, "binding_energy_gs": 34.121493415350635, "distance": 1.9492905754628715}


unique_id: 9638116a724faf7efd3553f3cbe23c01
username: jensj
key_value_pairs:
  {"uid": "F2C3Zr4-ce8b99067984-2-1_-1_1_0--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Zr4/F2C3Zr4-ce8b99067984/C3F2Zr4-2-1_-1_1_0--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Zr4-ce8b99067984", "bilayer_uid": "F2C3Zr4-ce8b99067984-2-1_-1_1_0--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  8  9 10 11 12 13 14 15 16 17]", "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 41.965898967679365, "binding_energy_gs": 30.848602049615543, "distance": 2.0517847656153023}


unique_id: ea32ae75def024e589b9bc46debcbd55
username: jensj
key_value_pairs:
  {"uid": "F2C3Zr4-ce8b99067984-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2C3Zr4/F2C3Zr4-ce8b99067984/C3F2Zr4-2-1_0_0_1-0_0", "stoichiometry": "A2B3C4", "monolayer_uid": "F2C3Zr4-ce8b99067984", "bilayer_uid": "F2C3Zr4-ce8b99067984-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 38.559039072182905, "binding_energy_gs": 27.446585754939846, "distance": 2.18442430581257}


unique_id: d08230f8d81d5c2e4a4273e3b7b8a3a3
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "F2N3Sc4-c61cfaa9018b", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2N3Sc4/F2N3Sc4-c61cfaa9018b", "stoichiometry": "A2B3C4", "monolayer_uid": "F2N3Sc4-c61cfaa9018b", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7]", "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: 2f9082b7343a9d63d6680013fd97b164
username: jensj
key_value_pairs:
  {"uid": "F2N3Sc4-c61cfaa9018b-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2N3Sc4/F2N3Sc4-c61cfaa9018b/F2N3Sc4-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "F2N3Sc4-c61cfaa9018b", "bilayer_uid": "F2N3Sc4-c61cfaa9018b-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 41.78242340769358, "binding_energy_gs": 28.914119786285692, "distance": 2.1685516015281934}


unique_id: d321c9e9e649bc40967eaf20a98dd744
username: jensj
key_value_pairs:
  {"uid": "F2N3Sc4-c61cfaa9018b-2-1_-1_1_0--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2N3Sc4/F2N3Sc4-c61cfaa9018b/F2N3Sc4-2-1_-1_1_0--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "F2N3Sc4-c61cfaa9018b", "bilayer_uid": "F2N3Sc4-c61cfaa9018b-2-1_-1_1_0--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  8  9 10 11 12 13 14 15 16 17]", "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 39.82354011103599, "binding_energy_gs": 26.946416156241384, "distance": 2.2270526014966165}


unique_id: 6608faa2e44da00ad24fdeca5e070421
username: jensj
key_value_pairs:
  {"uid": "F2N3Sc4-c61cfaa9018b-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2N3Sc4/F2N3Sc4-c61cfaa9018b/F2N3Sc4-2-1_0_0_1-0_0", "stoichiometry": "A2B3C4", "monolayer_uid": "F2N3Sc4-c61cfaa9018b", "bilayer_uid": "F2N3Sc4-c61cfaa9018b-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 37.68794922565443, "binding_energy_gs": 24.813110394295375, "distance": 2.3206542014461036}


unique_id: eaae69daef6c5e8fa09d5095ea38d33d
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "F2N3Y4-068b646bfbdc", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2N3Y4/F2N3Y4-068b646bfbdc", "stoichiometry": "A2B3C4", "monolayer_uid": "F2N3Y4-068b646bfbdc", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7]", "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: 16794e9474993a09aee7299e76c35366
username: jensj
key_value_pairs:
  {"uid": "F2N3Y4-068b646bfbdc-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2N3Y4/F2N3Y4-068b646bfbdc/F2N3Y4-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "F2N3Y4-068b646bfbdc", "bilayer_uid": "F2N3Y4-068b646bfbdc-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 49.20544140720371, "binding_energy_gs": 36.04441562398193, "distance": 1.7890804511884575}


unique_id: 47a87896fe9abc6d2f500930d3c28c69
username: jensj
key_value_pairs:
  {"uid": "F2N3Y4-068b646bfbdc-2-1_-1_1_0--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/F2N3Y4/F2N3Y4-068b646bfbdc/F2N3Y4-2-1_-1_1_0--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "F2N3Y4-068b646bfbdc", "bilayer_uid": "F2N3Y4-068b646bfbdc-2-1_-1_1_0--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  8  9 10 11 12 13 14 15 16 17]", "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 42.207931506282286, "binding_energy_gs": 29.915207152639276, "distance": 1.9794026424182078}


unique_id: 690ae7d628446d321db47467e34f1fb8
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "O2C3Hf4-23a4e5897606", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2C3Hf4/O2C3Hf4-23a4e5897606", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3Hf4-23a4e5897606", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.10182526947173098, "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: d2b37517885f799835df805859b54ebc
username: jensj
key_value_pairs:
  {"uid": "O2C3Hf4-23a4e5897606-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2C3Hf4/O2C3Hf4-23a4e5897606/C3Hf4O2-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3Hf4-23a4e5897606", "bilayer_uid": "O2C3Hf4-23a4e5897606-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 58.01144835032372, "binding_energy_gs": 44.96306355519882, "distance": 2.075603173686879}


unique_id: 960afb752a1e61ab902764517b356d48
username: jensj
key_value_pairs:
  {"uid": "O2C3Hf4-23a4e5897606-2-1_-1_1_0--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2C3Hf4/O2C3Hf4-23a4e5897606/C3Hf4O2-2-1_-1_1_0--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3Hf4-23a4e5897606", "bilayer_uid": "O2C3Hf4-23a4e5897606-2-1_-1_1_0--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  8  9 10 11 12 13 14 15 16 17]", "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 50.8967231510317, "binding_energy_gs": 37.683333673460524, "distance": 2.4109967734853655}


unique_id: ebbcde1e94f705221fc9ecb88b1eb79b
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "O2C3Nb4-58ce1af757a6", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2C3Nb4/O2C3Nb4-58ce1af757a6", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3Nb4-58ce1af757a6", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.07725227121046485, "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: 8b4b5ad554967ab19615d961e4e8ebd9
username: jensj
key_value_pairs:
  {"uid": "O2C3Nb4-58ce1af757a6-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2C3Nb4/O2C3Nb4-58ce1af757a6/C3Nb4O2-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3Nb4-58ce1af757a6", "bilayer_uid": "O2C3Nb4-58ce1af757a6-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 55.89702055050892, "binding_energy_gs": 45.171398156194044, "distance": 2.256902000426848}


unique_id: c30f614f251aa262ce13ec621290490e
username: jensj
key_value_pairs:
  {"uid": "O2C3Nb4-58ce1af757a6-2-1_-1_1_0--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2C3Nb4/O2C3Nb4-58ce1af757a6/C3Nb4O2-2-1_-1_1_0--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3Nb4-58ce1af757a6", "bilayer_uid": "O2C3Nb4-58ce1af757a6-2-1_-1_1_0--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  8  9 10 11 12 13 14 15 16 17]", "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, "with_props": false, "slide_stability": "Stable", "binding_energy_zscan": 52.90499061638283, "binding_energy_gs": 41.867186831932926, "distance": 2.3205603928220064}


unique_id: 4d9f3787cfc16efac6e96b046d1f9f06
username: jensj
key_value_pairs:
  {"uid": "O2C3Nb4-58ce1af757a6-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2C3Nb4/O2C3Nb4-58ce1af757a6/C3Nb4O2-2-1_0_0_1-0_0", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3Nb4-58ce1af757a6", "bilayer_uid": "O2C3Nb4-58ce1af757a6-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 49.8880084016679, "binding_energy_gs": 38.87053672264964, "distance": 2.407367291542677}


unique_id: 29adcce37a7d4f22e76b4c0f46a38431
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "O2C3Ta4-acc81ed9524c", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2C3Ta4/O2C3Ta4-acc81ed9524c", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3Ta4-acc81ed9524c", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.06301418887981458, "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: 308510de27287366a114fad6ed21d817
username: jensj
key_value_pairs:
  {"uid": "O2C3Ta4-acc81ed9524c-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2C3Ta4/O2C3Ta4-acc81ed9524c/C3O2Ta4-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3Ta4-acc81ed9524c", "bilayer_uid": "O2C3Ta4-acc81ed9524c-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 56.732340019680755, "binding_energy_gs": 46.07018733636417, "distance": 2.29854696849614}


unique_id: 2c7537859e38543d04796951876da419
username: jensj
key_value_pairs:
  {"uid": "O2C3Ta4-acc81ed9524c-2-1_-1_1_0--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2C3Ta4/O2C3Ta4-acc81ed9524c/C3O2Ta4-2-1_-1_1_0--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3Ta4-acc81ed9524c", "bilayer_uid": "O2C3Ta4-acc81ed9524c-2-1_-1_1_0--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  8  9 10 11 12 13 14 15 16 17]", "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": 0.002, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 54.28909704456224, "binding_energy_gs": 43.44120032411447, "distance": 2.362315173102459}


unique_id: 3c3129eb562dfaccd9bf67dda29678b7
username: jensj
key_value_pairs:
  {"uid": "O2C3Ta4-acc81ed9524c-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2C3Ta4/O2C3Ta4-acc81ed9524c/C3O2Ta4-2-1_0_0_1-0_0", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3Ta4-acc81ed9524c", "bilayer_uid": "O2C3Ta4-acc81ed9524c-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 51.31977642828145, "binding_energy_gs": 40.475020388225836, "distance": 2.4376775967281006}


unique_id: 4e6638d96feca97a32e170b3420038ba
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "O2C3Ti4-371db1cdd680", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2C3Ti4/O2C3Ti4-371db1cdd680", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3Ti4-371db1cdd680", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.06612199284032227, "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: 991d706247b9447b7a25c6d1b2a5702d
username: jensj
key_value_pairs:
  {"uid": "O2C3Ti4-371db1cdd680-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2C3Ti4/O2C3Ti4-371db1cdd680/C3O2Ti4-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3Ti4-371db1cdd680", "bilayer_uid": "O2C3Ti4-371db1cdd680-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 63.364110707437625, "binding_energy_gs": 40.77126193626164, "distance": 2.4139407823907497}


unique_id: 936d509bb5a6e714c4fc6523eb8111fd
username: jensj
key_value_pairs:
  {"uid": "O2C3Ti4-371db1cdd680-2-1_-1_1_0--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2C3Ti4/O2C3Ti4-371db1cdd680/C3O2Ti4-2-1_-1_1_0--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3Ti4-371db1cdd680", "bilayer_uid": "O2C3Ti4-371db1cdd680-2-1_-1_1_0--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  8  9 10 11 12 13 14 15 16 17]", "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 61.68559096601218, "binding_energy_gs": 38.9127063080061, "distance": 2.464869738536226}


unique_id: e284ec60615c1d664543f533f882ac5a
username: jensj
key_value_pairs:
  {"uid": "O2C3Ti4-371db1cdd680-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2C3Ti4/O2C3Ti4-371db1cdd680/C3O2Ti4-2-1_0_0_1-0_0", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3Ti4-371db1cdd680", "bilayer_uid": "O2C3Ti4-371db1cdd680-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 59.17944564537653, "binding_energy_gs": 36.44620053805719, "distance": 2.5440925592069696}


unique_id: fabeb2e775a3b63b76838db47eb4018e
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "O2C3Zr4-fbb2fbe7f2fa", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2C3Zr4/O2C3Zr4-fbb2fbe7f2fa", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3Zr4-fbb2fbe7f2fa", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.10720397331283205, "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: 3da1abe023f25d966336b6c695a3dd85
username: jensj
key_value_pairs:
  {"uid": "O2C3Zr4-fbb2fbe7f2fa-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2C3Zr4/O2C3Zr4-fbb2fbe7f2fa/C3O2Zr4-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3Zr4-fbb2fbe7f2fa", "bilayer_uid": "O2C3Zr4-fbb2fbe7f2fa-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 62.29526123185423, "binding_energy_gs": 51.03716934586218, "distance": 1.8786948749407593}


unique_id: 959937933d1c5e654a4f8adadbabeeac
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "O2N3Hf4-ff5ae22cc0bb", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2N3Hf4/O2N3Hf4-ff5ae22cc0bb", "stoichiometry": "A2B3C4", "monolayer_uid": "O2N3Hf4-ff5ae22cc0bb", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.09049357031833738, "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: 8ed466016df0cfa2573426fa535322dd
username: jensj
key_value_pairs:
  {"uid": "O2N3Hf4-ff5ae22cc0bb-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2N3Hf4/O2N3Hf4-ff5ae22cc0bb/Hf4N3O2-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "O2N3Hf4-ff5ae22cc0bb", "bilayer_uid": "O2N3Hf4-ff5ae22cc0bb-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 59.29844116758781, "binding_energy_gs": 43.67268102047063, "distance": 2.246297193829978}


unique_id: 27f78fc6a3fea03d7112d326c972a975
username: jensj
key_value_pairs:
  {"uid": "O2N3Hf4-ff5ae22cc0bb-2-1_-1_1_0--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2N3Hf4/O2N3Hf4-ff5ae22cc0bb/Hf4N3O2-2-1_-1_1_0--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "O2N3Hf4-ff5ae22cc0bb", "bilayer_uid": "O2N3Hf4-ff5ae22cc0bb-2-1_-1_1_0--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  8  9 10 11 12 13 14 15 16 17]", "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 50.432003083832896, "binding_energy_gs": 38.51162010253562, "distance": 2.4267724305979925}


unique_id: dcacac600bf24389bdd98df678cd747f
username: jensj
key_value_pairs:
  {"uid": "O2N3Hf4-ff5ae22cc0bb-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2N3Hf4/O2N3Hf4-ff5ae22cc0bb/Hf4N3O2-2-1_0_0_1-0_0", "stoichiometry": "A2B3C4", "monolayer_uid": "O2N3Hf4-ff5ae22cc0bb", "bilayer_uid": "O2N3Hf4-ff5ae22cc0bb-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 49.66499528221198, "binding_energy_gs": 33.71993115617273, "distance": 2.572316976378648}


unique_id: ec8c26156d754a4403b59fe6c366e9a9
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "O2N3Ti4-d3dfa2d01505", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2N3Ti4/O2N3Ti4-d3dfa2d01505", "stoichiometry": "A2B3C4", "monolayer_uid": "O2N3Ti4-d3dfa2d01505", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7]", "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: 53321f106f6d7cca6d286cf909efcff5
username: jensj
key_value_pairs:
  {"uid": "O2N3Ti4-d3dfa2d01505-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2N3Ti4/O2N3Ti4-d3dfa2d01505/N3O2Ti4-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "O2N3Ti4-d3dfa2d01505", "bilayer_uid": "O2N3Ti4-d3dfa2d01505-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 67.09931652382379, "binding_energy_gs": 41.837707763017725, "distance": 2.408996321035687}


unique_id: ce795ee95240e0a6ee8a08b4ee9c11e0
username: jensj
key_value_pairs:
  {"uid": "O2N3Ti4-d3dfa2d01505-2-1_-1_1_0--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2N3Ti4/O2N3Ti4-d3dfa2d01505/N3O2Ti4-2-1_-1_1_0--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "O2N3Ti4-d3dfa2d01505", "bilayer_uid": "O2N3Ti4-d3dfa2d01505-2-1_-1_1_0--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  8  9 10 11 12 13 14 15 16 17]", "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 64.94628650288654, "binding_energy_gs": 39.65380008999597, "distance": 2.4761497641189933}


unique_id: 38fbe191bc25f7e4787f93cfd18e651f
username: jensj
key_value_pairs:
  {"uid": "O2N3Ti4-d3dfa2d01505-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2N3Ti4/O2N3Ti4-d3dfa2d01505/N3O2Ti4-2-1_0_0_1-0_0", "stoichiometry": "A2B3C4", "monolayer_uid": "O2N3Ti4-d3dfa2d01505", "bilayer_uid": "O2N3Ti4-d3dfa2d01505-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 63.21901657481216, "binding_energy_gs": 37.93447695072402, "distance": 2.526514846431475}


unique_id: 3a760b237f11e6cff06c2e3f9d38a3f1
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "O2N3Zr4-29bc3a11ef98", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2N3Zr4/O2N3Zr4-29bc3a11ef98", "stoichiometry": "A2B3C4", "monolayer_uid": "O2N3Zr4-29bc3a11ef98", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.08857944882984192, "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: 76fbe9d32bd302f9ba11960a7a038780
username: jensj
key_value_pairs:
  {"uid": "O2N3Zr4-29bc3a11ef98-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2N3Zr4/O2N3Zr4-29bc3a11ef98/N3O2Zr4-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "O2N3Zr4-29bc3a11ef98", "bilayer_uid": "O2N3Zr4-29bc3a11ef98-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 60.55586572470333, "binding_energy_gs": 47.70318201272989, "distance": 2.1195871642184265}


unique_id: f352180083a1dae271c7d7924c4fb1d0
username: jensj
key_value_pairs:
  {"uid": "O2N3Zr4-29bc3a11ef98-2-1_-1_1_0--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A2B3C4/O2N3Zr4/O2N3Zr4-29bc3a11ef98/N3O2Zr4-2-1_-1_1_0--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "O2N3Zr4-29bc3a11ef98", "bilayer_uid": "O2N3Zr4-29bc3a11ef98-2-1_-1_1_0--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  8  9 10 11 12 13 14 15 16 17]", "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, "with_props": false, "slide_stability": "None", "binding_energy_zscan": 53.074742259027886, "binding_energy_gs": 40.4117884448854, "distance": 2.3703113584261324}


unique_id: 43af814be1482e44ad3144a024e2b3ef
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "O2C3V4-e514d721f768", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B3C4/O2C3V4/O2C3V4-e514d721f768", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3V4-e514d721f768", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5 7 7]", "has_inversion_symmetry": true, "magnetic": true, "ehull": 0.1461864090297409, "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: eef4277764f068c00bb18d4dfe5beb4a
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "O2C3V4-e514d721f768-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B3C4/O2C3V4/O2C3V4-e514d721f768/C3O2V4-2-1_0_0_1--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3V4-e514d721f768", "bilayer_uid": "O2C3V4-e514d721f768-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0, "interlayer_magnetic_exchange": 3.3490556461401866e-07, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 38.4962524941705, "binding_energy_gs": 38.5502415006416, "distance": 2.455629369850765}


unique_id: 1f7b36a26ec17ac3da5510f65dadf49d
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "O2C3V4-e514d721f768-2-1_-1_1_0--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B3C4/O2C3V4/O2C3V4-e514d721f768/C3O2V4-2-1_-1_1_0--0.33_0.33", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3V4-e514d721f768", "bilayer_uid": "O2C3V4-e514d721f768-2-1_-1_1_0--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  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0, "interlayer_magnetic_exchange": -3.673185346997343e-07, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 37.965029000902675, "binding_energy_gs": 38.052808029974024, "distance": 2.455629369850765}


unique_id: 75b96ce6d13ec2c0cc2f9fac39f58344
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "O2C3V4-e514d721f768-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B3C4/O2C3V4/O2C3V4-e514d721f768/C3O2V4-2-1_0_0_1-0_0", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3V4-e514d721f768", "bilayer_uid": "O2C3V4-e514d721f768-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0, "interlayer_magnetic_exchange": -2.0781547505066555e-07, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 37.6502293784377, "binding_energy_gs": 37.73467310194256, "distance": 2.4611969204637845}


unique_id: a66a45698edc7dd454d643ac7e6ce5cf
username: jensj
key_value_pairs:
  {"uid": "O2C3V4-e514d721f768-2-1_-1_1_0-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B3C4/O2C3V4/O2C3V4-e514d721f768/C3O2V4-2-1_-1_1_0-0.5_0", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3V4-e514d721f768", "bilayer_uid": "O2C3V4-e514d721f768-2-1_-1_1_0-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 36, "layer_group": "cm2e", "space_group_number": 39, "space_group": "Aem2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 36.59692780979771, "binding_energy_gs": 36.67487403557603, "distance": 2.5224399772069823}


unique_id: 80469226c90a1bb74e1bb518474c935a
username: jensj
key_value_pairs:
  {"uid": "O2C3V4-e514d721f768-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B3C4/O2C3V4/O2C3V4-e514d721f768/C3O2V4-2-1_0_0_1-0.5_0", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3V4-e514d721f768", "bilayer_uid": "O2C3V4-e514d721f768-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 33.827975699201936, "binding_energy_gs": 33.90254581801548, "distance": 2.6504936413063973}


unique_id: 6072d0943c8952e6e3a68e8448dc9921
username: jensj
key_value_pairs:
  {"uid": "O2C3V4-e514d721f768-2-1_-1_1_0-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B3C4/O2C3V4/O2C3V4-e514d721f768/C3O2V4-2-1_-1_1_0-0_0", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3V4-e514d721f768", "bilayer_uid": "O2C3V4-e514d721f768-2-1_-1_1_0-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 30.76697071106591, "binding_energy_gs": 30.842574968159067, "distance": 2.784114856018828}


unique_id: 2e3525f2d1da46ef50f72258b96897b8
username: jensj
key_value_pairs:
  {"uid": "O2C3V4-e514d721f768-2-1_0_0_1-0.33_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A2B3C4/O2C3V4/O2C3V4-e514d721f768/C3O2V4-2-1_0_0_1-0.33_0.67", "stoichiometry": "A2B3C4", "monolayer_uid": "O2C3V4-e514d721f768", "bilayer_uid": "O2C3V4-e514d721f768-2-1_0_0_1-0.33_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 4 6 5 8 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 30.689043026269207, "binding_energy_gs": 30.7689132116735, "distance": 2.7952499572448666}


unique_id: a1398e4d1db2afff6b04aaa112aee1a7
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 2 4 4 1]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "ehull": 0.0040945138448381935, "dynamically_stable": "Yes", "gap_pbe": 1.08, "gap_pbe_dir": 1.158, "gap_pbe_nosoc": 1.177, "gap_pbe_dir_nosoc": 1.327, "dipz": 0.0}


unique_id: 4e005823bce76b00a90977c2f3bd2061
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2-1_0_0_1--0.55_-0.11", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2-1_0_0_1--0.55_-0.11", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2-1_0_0_1--0.55_-0.11", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 6 3 2 5 4 1]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.897, "gap_pbe_dir": 1.073, "gap_pbe_nosoc": 0.965, "gap_pbe_dir_nosoc": 1.151, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 19.237532370778204, "binding_energy_gs": 19.23013045886626, "distance": 2.6287200047748094}


unique_id: 362976146353d6618ff0fff2aad43468
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2-1_0_0_1--0.54_-0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2-1_0_0_1--0.54_-0.08", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2-1_0_0_1--0.54_-0.08", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 6 3 2 5 4 1]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.902, "gap_pbe_dir": 1.067, "gap_pbe_nosoc": 0.974, "gap_pbe_dir_nosoc": 1.157, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 18.983657869651164, "binding_energy_gs": 18.977328209365318, "distance": 2.651656983071639}


unique_id: 604f973a281f7773515c8b538c8d5208
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1-0.26_-0.54", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2--1_0_0_-1-0.26_-0.54", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1-0.26_-0.54", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.856, "gap_pbe_dir": 0.952, "gap_pbe_nosoc": 0.989, "gap_pbe_dir_nosoc": 1.123, "dipz": 0.006, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 18.80277531522589, "binding_energy_gs": 18.80855639736369, "distance": 2.762902201651716}


unique_id: 5fc574c7cb6f144cfd41f52364705a29
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1-0.27_-0.53", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2--1_0_0_-1-0.27_-0.53", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1-0.27_-0.53", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.861, "gap_pbe_dir": 0.956, "gap_pbe_nosoc": 0.991, "gap_pbe_dir_nosoc": 1.126, "dipz": 0.007, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 18.747396037606006, "binding_energy_gs": 18.749887478801327, "distance": 2.7719034628541195}


unique_id: 7180edf1ece3873543635d3d2391fdee
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2-1_0_0_1-0.23_0.47", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2-1_0_0_1-0.23_0.47", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2-1_0_0_1-0.23_0.47", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 6 3 2 5 4 1]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.885, "gap_pbe_dir": 0.988, "gap_pbe_nosoc": 1.0, "gap_pbe_dir_nosoc": 1.137, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 17.378553246113956, "binding_energy_gs": 17.371373046660832, "distance": 2.982513310044059}


unique_id: b9025ac6ec5f05101b7282d6ef48184e
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2-1_0_0_1-0.23_0.46", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2-1_0_0_1-0.23_0.46", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2-1_0_0_1-0.23_0.46", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 6 3 2 5 4 1]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.89, "gap_pbe_dir": 0.99, "gap_pbe_nosoc": 1.006, "gap_pbe_dir_nosoc": 1.139, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.366928706899433, "binding_energy_gs": 17.359318727052006, "distance": 2.984103133058486}


unique_id: ff96e3c4ae8c43224accfcb317cad07e
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2-1_0_0_1--0.6_-0.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2-1_0_0_1--0.6_-0.2", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2-1_0_0_1--0.6_-0.2", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 6 3 2 5 4 1]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.858, "gap_pbe_dir": 1.085, "gap_pbe_nosoc": 0.922, "gap_pbe_dir_nosoc": 1.165, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.065608851737462, "binding_energy_gs": 17.060422833249124, "distance": 2.764830140513972}


unique_id: 48fddc9169d634bd411d6bf85adf3570
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2-1_0_0_1--0.31_0.39", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2-1_0_0_1--0.31_0.39", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2-1_0_0_1--0.31_0.39", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 6 3 2 5 4 1]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.85, "gap_pbe_dir": 0.916, "gap_pbe_nosoc": 0.973, "gap_pbe_dir_nosoc": 1.08, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 17.036654156237294, "binding_energy_gs": 17.054513066462718, "distance": 2.9514397706588262}


unique_id: 51a4b8172c2ce2d04fac0999e332ca5a
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2-1_0_0_1--0.31_0.38", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2-1_0_0_1--0.31_0.38", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2-1_0_0_1--0.31_0.38", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 6 3 2 5 4 1]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.854, "gap_pbe_dir": 0.917, "gap_pbe_nosoc": 0.977, "gap_pbe_dir_nosoc": 1.083, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 17.023152184863104, "binding_energy_gs": 17.043042316953194, "distance": 2.948736521357759}


unique_id: 807dc37bf42f05e9fad592c30ca132a2
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2-1_0_0_1-0.5_0", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 6 3 2 5 4 1]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.895, "gap_pbe_dir": 1.006, "gap_pbe_nosoc": 0.986, "gap_pbe_dir_nosoc": 1.16, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 16.335553075646107, "binding_energy_gs": 16.337980335876455, "distance": 2.870929975616157}


unique_id: 9e1a7036fe08364d902b2537b78e88d4
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2-1_0_0_1-0.29_0.59", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2-1_0_0_1-0.29_0.59", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2-1_0_0_1-0.29_0.59", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 6 3 2 5 4 1]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.861, "gap_pbe_dir": 1.023, "gap_pbe_nosoc": 0.969, "gap_pbe_dir_nosoc": 1.178, "dipz": 0.0, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 16.031309404040815, "binding_energy_gs": 16.027165054033055, "distance": 3.097276290500819}


unique_id: 746ce01eaeb43217daa56ff9a25e91c2
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1-0.19_0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2--1_0_0_-1-0.19_0.32", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1-0.19_0.32", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.788, "gap_pbe_dir": 0.887, "gap_pbe_nosoc": 0.897, "gap_pbe_dir_nosoc": 1.057, "dipz": 0.001, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 15.728169622437797, "binding_energy_gs": 15.77232018643939, "distance": 2.9628831660380506}


unique_id: c1df35806da3b82f7a388ec6adfbb34c
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1-0.5_-0.07", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2--1_0_0_-1-0.5_-0.07", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1-0.5_-0.07", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.862, "gap_pbe_dir": 0.965, "gap_pbe_nosoc": 0.97, "gap_pbe_dir_nosoc": 1.14, "dipz": -0.018, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.995989919442945, "binding_energy_gs": 14.98669348733313, "distance": 3.132642902201546}


unique_id: 185c5cfce30bec9c0c8d1519f8210d51
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2-1_0_0_1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 36, "layer_group": "cm2e", "space_group_number": 39, "space_group": "Aem2", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.776, "gap_pbe_dir": 0.88, "gap_pbe_nosoc": 0.877, "gap_pbe_dir_nosoc": 1.046, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.922919758573551, "binding_energy_gs": 14.971417439464192, "distance": 3.0407026123025958}


unique_id: 956fbbcba52f55fb7f64d10b03e5f0e1
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1-Iz-0.26_0.52", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2--1_0_0_-1-Iz-0.26_0.52", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1-Iz-0.26_0.52", "number_of_layers": 2, "nspecies": 2, "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 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.898, "gap_pbe_dir": 0.95, "gap_pbe_nosoc": 1.021, "gap_pbe_dir_nosoc": 1.122, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.755188766255369, "binding_energy_gs": 14.789539288730012, "distance": 3.11143583570405}


unique_id: c2d3a4fa9809df0b426c9b4cbb7bcfdd
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1--0.04_-0.14", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2--1_0_0_-1--0.04_-0.14", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1--0.04_-0.14", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.915, "gap_pbe_dir": 1.016, "gap_pbe_nosoc": 1.027, "gap_pbe_dir_nosoc": 1.171, "dipz": -0.017, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.371322890216668, "binding_energy_gs": 14.360768676080529, "distance": 3.1750828362424173}


unique_id: 496a2b773a6a00e26761f997c77ab7dd
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2-1_0_0_1--0.83_-0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2-1_0_0_1--0.83_-0.66", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2-1_0_0_1--0.83_-0.66", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 6 3 2 5 4 1]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.864, "gap_pbe_dir": 1.016, "gap_pbe_nosoc": 0.934, "gap_pbe_dir_nosoc": 1.154, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.142157422417482, "binding_energy_gs": 14.127959026733773, "distance": 3.217522770283292}


unique_id: dc4988b05242b1110472b280e7ea796e
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2-1_0_0_1-0.54_0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2-1_0_0_1-0.54_0.08", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2-1_0_0_1-0.54_0.08", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 6 3 2 5 4 1]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.9, "gap_pbe_dir": 0.973, "gap_pbe_nosoc": 1.012, "gap_pbe_dir_nosoc": 1.151, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.019845757730552, "binding_energy_gs": 14.030450956096752, "distance": 3.1609361915621292}


unique_id: d37718d35efb20e41d3445ffa47c689b
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2-1_0_0_1-0.6_0.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2-1_0_0_1-0.6_0.2", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2-1_0_0_1-0.6_0.2", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 6 3 2 5 4 1]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.908, "gap_pbe_dir": 0.96, "gap_pbe_nosoc": 1.031, "gap_pbe_dir_nosoc": 1.133, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.464722699655873, "binding_energy_gs": 13.489870419842122, "distance": 3.2670360266643144}


unique_id: 6663e8006fc620d1fb80f5f19cf92eac
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2-1_0_0_1--0.23_-0.46", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2-1_0_0_1--0.23_-0.46", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2-1_0_0_1--0.23_-0.46", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 6 3 2 5 4 1]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.865, "gap_pbe_dir": 0.99, "gap_pbe_nosoc": 0.977, "gap_pbe_dir_nosoc": 1.134, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.083529250267931, "binding_energy_gs": 13.078370841527654, "distance": 3.351915894746064}


unique_id: 35adc64fa8eb12cca2b050786505cf95
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2-1_0_0_1-0_0", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 6 3 2 5 4 1]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.859, "gap_pbe_dir": 0.993, "gap_pbe_nosoc": 0.948, "gap_pbe_dir_nosoc": 1.138, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.878364503337718, "binding_energy_gs": 12.866888614811447, "distance": 3.2953293160248975}


unique_id: ef57ef79d1163e99d2be41fe112b49b5
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1-0.42_-0.22", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2--1_0_0_-1-0.42_-0.22", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1-0.42_-0.22", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.977, "gap_pbe_dir": 1.097, "gap_pbe_nosoc": 1.078, "gap_pbe_dir_nosoc": 1.267, "dipz": -0.002, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.580391221669545, "binding_energy_gs": 12.570119021633609, "distance": 3.4297224404876623}


unique_id: 7526a435f11a15def0f748b40f361aba
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1-0.73_0.39", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2--1_0_0_-1-0.73_0.39", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1-0.73_0.39", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.857, "gap_pbe_dir": 0.96, "gap_pbe_nosoc": 0.956, "gap_pbe_dir_nosoc": 1.113, "dipz": 0.004, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 12.424442468994043, "binding_energy_gs": 12.412520832944207, "distance": 3.3802091841066435}


unique_id: 87a2662d0692e4fbf8ebcca212aeed55
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 2, "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 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.888, "gap_pbe_dir": 1.071, "gap_pbe_nosoc": 0.965, "gap_pbe_dir_nosoc": 1.212, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.235442612245883, "binding_energy_gs": 11.224641602148107, "distance": 3.571201787813518}


unique_id: 9cfc70b51c480bcb8860d251fd2c8b8d
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2-1_0_0_1-0.83_0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2-1_0_0_1-0.83_0.66", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2-1_0_0_1-0.83_0.66", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 6 3 2 5 4 1]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.908, "gap_pbe_dir": 1.072, "gap_pbe_nosoc": 0.998, "gap_pbe_dir_nosoc": 1.21, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.024888544112237, "binding_energy_gs": 11.016604757739655, "distance": 3.6489954330321765}


unique_id: 995955889c51d3c3608c6d19dd90bdcc
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1-Iz-0.73_0.39", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2--1_0_0_-1-Iz-0.73_0.39", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1-Iz-0.73_0.39", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.933, "gap_pbe_dir": 1.004, "gap_pbe_nosoc": 1.006, "gap_pbe_dir_nosoc": 1.154, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 10.576640800280318, "binding_energy_gs": 10.563572539712714, "distance": 3.6490083335551162}


unique_id: e40ad4a4943969f5ca0c7a3ec379665e
username: jensj
key_value_pairs:
  {"uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1--0.35_0.24", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-niloof/thomastree/A2B5/In2Te5/In2Te5-b66be03c9cb5/In2Te5-2--1_0_0_-1--0.35_0.24", "stoichiometry": "A2B5", "monolayer_uid": "In2Te5-b66be03c9cb5", "bilayer_uid": "In2Te5-b66be03c9cb5-2--1_0_0_-1--0.35_0.24", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 35, "layer_group": "cm2m", "space_group_number": 38, "space_group": "Amm2", "equivalent_atoms": "[0 1 2 3 4 5 6 0 6 3 2 5 4 1]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 2106460, "gap_pbe": 0.867, "gap_pbe_dir": 0.972, "gap_pbe_nosoc": 0.949, "gap_pbe_dir_nosoc": 1.111, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 10.01968825373937, "binding_energy_gs": 10.009172556382474, "distance": 3.769241912814657}


unique_id: b8578202a5f30f82c401266a86bd1314
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "C3Sc4-ebdc35e1cc66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A3B4/C3Sc4/C3Sc4-ebdc35e1cc66", "stoichiometry": "A3B4", "monolayer_uid": "C3Sc4-ebdc35e1cc66", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.1869828954579883, "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: 9920a2a193e1327a039595374a3f70a3
username: jensj
key_value_pairs:
  {"uid": "C3Sc4-ebdc35e1cc66-2-1_0_0_1-0.33_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A3B4/C3Sc4/C3Sc4-ebdc35e1cc66/C3Sc4-2-1_0_0_1-0.33_0.67", "stoichiometry": "A3B4", "monolayer_uid": "C3Sc4-ebdc35e1cc66", "bilayer_uid": "C3Sc4-ebdc35e1cc66-2-1_0_0_1-0.33_0.67", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 1 0 3 2 4 6 5]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 93.03771515946768, "binding_energy_gs": 85.39038095821037, "distance": 2.6539570309469767}


unique_id: 57302f20335c66def7e95ac93ee476a7
username: jensj
key_value_pairs:
  {"uid": "C3Sc4-ebdc35e1cc66-2-1_-1_1_0--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A3B4/C3Sc4/C3Sc4-ebdc35e1cc66/C3Sc4-2-1_-1_1_0--0.33_0.33", "stoichiometry": "A3B4", "monolayer_uid": "C3Sc4-ebdc35e1cc66", "bilayer_uid": "C3Sc4-ebdc35e1cc66-2-1_-1_1_0--0.33_0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 69, "layer_group": "p3m1", "space_group_number": 156, "space_group": "P3m1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13]", "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 84.60251412393168, "binding_energy_gs": 76.9587358587424, "distance": 3.1504225555183645}


unique_id: af08cb6e16b50473fca972cc3b12b1ac
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "C3Y4-cc0d08effe87", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A3B4/C3Y4/C3Y4-cc0d08effe87", "stoichiometry": "A3B4", "monolayer_uid": "C3Y4-cc0d08effe87", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.18734136204600693, "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: b9e1d2c47f199f75ec4548980da71a64
username: jensj
key_value_pairs:
  {"uid": "C3Y4-cc0d08effe87-2-1_0_0_1-0.33_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A3B4/C3Y4/C3Y4-cc0d08effe87/C3Y4-2-1_0_0_1-0.33_0.67", "stoichiometry": "A3B4", "monolayer_uid": "C3Y4-cc0d08effe87", "bilayer_uid": "C3Y4-cc0d08effe87-2-1_0_0_1-0.33_0.67", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 1 0 3 2 4 6 5]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 80.04801106329693, "binding_energy_gs": 72.33834914243485, "distance": 3.5720309481537527}


unique_id: d6aa2fe2e5971f24b4cf4a5af0761bc0
username: jensj
key_value_pairs:
  {"uid": "C3Y4-cc0d08effe87-2-1_-1_1_0--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A3B4/C3Y4/C3Y4-cc0d08effe87/C3Y4-2-1_-1_1_0--0.33_0.33", "stoichiometry": "A3B4", "monolayer_uid": "C3Y4-cc0d08effe87", "bilayer_uid": "C3Y4-cc0d08effe87-2-1_-1_1_0--0.33_0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 69, "layer_group": "p3m1", "space_group_number": 156, "space_group": "P3m1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13]", "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, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 77.99016765087138, "binding_energy_gs": 70.17379225304968, "distance": 3.6658391340414624}


unique_id: 6f9de295f834fbb7ffa955c67b9ae541
username: jensj
key_value_pairs:
  {"uid": "C3Y4-cc0d08effe87-2-1_0_0_1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A3B4/C3Y4/C3Y4-cc0d08effe87/C3Y4-2-1_0_0_1--0.33_0.33", "stoichiometry": "A3B4", "monolayer_uid": "C3Y4-cc0d08effe87", "bilayer_uid": "C3Y4-cc0d08effe87-2-1_0_0_1--0.33_0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 1 0 3 2 4 6 5]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 75.0415549578094, "binding_energy_gs": 67.23513285232285, "distance": 3.7961282811077233}


unique_id: 8644303004b14fc7f6317990b34e4b56
username: jensj
key_value_pairs:
  {"uid": "C3Y4-cc0d08effe87-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A3B4/C3Y4/C3Y4-cc0d08effe87/C3Y4-2-1_0_0_1-0_0", "stoichiometry": "A3B4", "monolayer_uid": "C3Y4-cc0d08effe87", "bilayer_uid": "C3Y4-cc0d08effe87-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 1 0 3 2 4 6 5]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 70.81703783476152, "binding_energy_gs": 63.02741363979436, "distance": 3.889936466995433}


unique_id: b7bd515e596dfbb2b4fcb19ff6734de7
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "N3Y4-fbdd97a53c66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A3B4/N3Y4/N3Y4-fbdd97a53c66", "stoichiometry": "A3B4", "monolayer_uid": "N3Y4-fbdd97a53c66", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.18709660406358242, "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: bdc7372acb4be9fd910560df1692fde7
username: jensj
key_value_pairs:
  {"uid": "N3Y4-fbdd97a53c66-2-1_0_0_1-0.33_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A3B4/N3Y4/N3Y4-fbdd97a53c66/N3Y4-2-1_0_0_1-0.33_0.67", "stoichiometry": "A3B4", "monolayer_uid": "N3Y4-fbdd97a53c66", "bilayer_uid": "N3Y4-fbdd97a53c66-2-1_0_0_1-0.33_0.67", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 1 0 3 2 4 6 5]", "has_inversion_symmetry": true, "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, "with_props": true, "slide_stability": "-", "binding_energy_zscan": 187.31866857081005, "binding_energy_gs": 177.75861753758767, "distance": 3.2407279024139406}


unique_id: b70b03de30262a834a89c1fc1bc7d945
username: jensj
key_value_pairs:
  {"uid": "N3Y4-fbdd97a53c66-2-1_-1_1_0-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A3B4/N3Y4/N3Y4-fbdd97a53c66/N3Y4-2-1_-1_1_0-0_0", "stoichiometry": "A3B4", "monolayer_uid": "N3Y4-fbdd97a53c66", "bilayer_uid": "N3Y4-fbdd97a53c66-2-1_-1_1_0-0_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 2 3 4 5 6 1 0 3 2 4 6 5]", "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 180.77610269924648, "binding_energy_gs": 171.1406394083516, "distance": 3.354563155787158}


unique_id: 246ee536ca5016fc353777254865a53b
username: jensj
key_value_pairs:
  {"uid": "N3Y4-fbdd97a53c66-2-1_-1_1_0--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A3B4/N3Y4/N3Y4-fbdd97a53c66/N3Y4-2-1_-1_1_0--0.33_0.33", "stoichiometry": "A3B4", "monolayer_uid": "N3Y4-fbdd97a53c66", "bilayer_uid": "N3Y4-fbdd97a53c66-2-1_-1_1_0--0.33_0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 69, "layer_group": "p3m1", "space_group_number": 156, "space_group": "P3m1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13]", "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 179.626112427926, "binding_energy_gs": 170.02164328611175, "distance": 3.2614252212090733}


unique_id: 592c872e436dfde0f94f8577efdadcfe
username: jensj
key_value_pairs:
  {"uid": "N3Y4-fbdd97a53c66-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/A3B4/N3Y4/N3Y4-fbdd97a53c66/N3Y4-2-1_0_0_1-0_0", "stoichiometry": "A3B4", "monolayer_uid": "N3Y4-fbdd97a53c66", "bilayer_uid": "N3Y4-fbdd97a53c66-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 1 0 3 2 4 6 5]", "has_inversion_symmetry": true, "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, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 179.1752581066584, "binding_energy_gs": 169.51153601703479, "distance": 3.354563155787158}


unique_id: 46645eb75bbaafd335350cee6442ea94
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cr3Te4-3d365d19d9c9", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A3B4/Cr3Te4/Cr3Te4-3d365d19d9c9", "stoichiometry": "A3B4", "monolayer_uid": "Cr3Te4-3d365d19d9c9", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626873, "ehull": 0.05285218876245068, "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: 248935d51bb1b9590e3dab593885506c
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cr3Te4-3d365d19d9c9-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A3B4/Cr3Te4/Cr3Te4-3d365d19d9c9/Cr3Te4-2-1_0_0_1-0_0", "stoichiometry": "A3B4", "monolayer_uid": "Cr3Te4-3d365d19d9c9", "bilayer_uid": "Cr3Te4-3d365d19d9c9-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 4 5 6 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626873, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "interlayer_magnetic_exchange": -0.014003810201430156, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 33.550073699545756, "binding_energy_gs": 33.54369273839091, "distance": 2.90649999999998}


unique_id: 2e7a9d7811842e4d24e898c6f147b1b6
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cr3Te4-3d365d19d9c9-2--1_0_0_-1--0.33_-0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A3B4/Cr3Te4/Cr3Te4-3d365d19d9c9/Cr3Te4-2--1_0_0_-1--0.33_-0.66", "stoichiometry": "A3B4", "monolayer_uid": "Cr3Te4-3d365d19d9c9", "bilayer_uid": "Cr3Te4-3d365d19d9c9-2--1_0_0_-1--0.33_-0.66", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 69, "layer_group": "p3m1", "space_group_number": 156, "space_group": "P3m1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626873, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "interlayer_magnetic_exchange": -0.01705194639279739, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 30.56006834819239, "binding_energy_gs": 30.5792835398086, "distance": 3.064499999999981}


unique_id: e8c18f33e473da813c2a034d3d4b1af5
username: jensj
key_value_pairs:
  {"uid": "Cr3Te4-3d365d19d9c9-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A3B4/Cr3Te4/Cr3Te4-3d365d19d9c9/Cr3Te4-2--1_0_0_-1-0.5_0", "stoichiometry": "A3B4", "monolayer_uid": "Cr3Te4-3d365d19d9c9", "bilayer_uid": "Cr3Te4-3d365d19d9c9-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 36, "layer_group": "cm2e", "space_group_number": 39, "space_group": "Aem2", "equivalent_atoms": "[0 1 2 3 4 5 6 0 4 5 6 1 2 3]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626873, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 29.339088969998947, "binding_energy_gs": 29.347407775293703, "distance": 3.1039999999999814}


unique_id: 82af3045c1212cc714efddeb960fca64
username: jensj
key_value_pairs:
  {"uid": "Cr3Te4-3d365d19d9c9-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A3B4/Cr3Te4/Cr3Te4-3d365d19d9c9/Cr3Te4-2-1_0_0_1-0.79_0.58", "stoichiometry": "A3B4", "monolayer_uid": "Cr3Te4-3d365d19d9c9", "bilayer_uid": "Cr3Te4-3d365d19d9c9-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 4 5 6 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626873, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 28.395474973535897, "binding_energy_gs": 28.404458283359638, "distance": 3.16324999999998}


unique_id: e25f33f9d76dafafd310bf7d2714a2ef
username: jensj
key_value_pairs:
  {"uid": "Cr3Te4-3d365d19d9c9-2-1_0_0_1--0.33_-0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A3B4/Cr3Te4/Cr3Te4-3d365d19d9c9/Cr3Te4-2-1_0_0_1--0.33_-0.66", "stoichiometry": "A3B4", "monolayer_uid": "Cr3Te4-3d365d19d9c9", "bilayer_uid": "Cr3Te4-3d365d19d9c9-2-1_0_0_1--0.33_-0.66", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 4 5 6 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626873, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 28.113886493081253, "binding_energy_gs": 28.139910878938938, "distance": 3.2027499999999804}


unique_id: d3bf8c184eb5b1c802b5a3b2dbf74ccd
username: jensj
key_value_pairs:
  {"uid": "Cr3Te4-3d365d19d9c9-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A3B4/Cr3Te4/Cr3Te4-3d365d19d9c9/Cr3Te4-2--1_0_0_-1-0.79_0.58", "stoichiometry": "A3B4", "monolayer_uid": "Cr3Te4-3d365d19d9c9", "bilayer_uid": "Cr3Te4-3d365d19d9c9-2--1_0_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 626873, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 27.562086153495386, "binding_energy_gs": 27.602739654389268, "distance": 3.2422499999999843}


unique_id: 4918bc43190cd2745ce5e9954e92083f
username: jensj
key_value_pairs:
  {"uid": "Cr3Te4-3d365d19d9c9-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A3B4/Cr3Te4/Cr3Te4-3d365d19d9c9/Cr3Te4-2-1_0_0_1-0.5_0", "stoichiometry": "A3B4", "monolayer_uid": "Cr3Te4-3d365d19d9c9", "bilayer_uid": "Cr3Te4-3d365d19d9c9-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 0 4 5 6 1 2 3]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 626873, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 24.81768238476851, "binding_energy_gs": 24.861378354383728, "distance": 3.3804999999999836}


unique_id: 9479491c292abeb0c60c573867ea6cd0
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "N3Sc4-daf440ed0646", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/A3B4/N3Sc4/N3Sc4-daf440ed0646", "stoichiometry": "A3B4", "monolayer_uid": "N3Sc4-daf440ed0646", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 0 2 2 4 5 5]", "has_inversion_symmetry": true, "magnetic": true, "ehull": 0.18058209060523067, "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}


