# systems

unique_id: 1aab29884067b733cd66c125abcd7a4d
username: jensj
key_value_pairs:
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unique_id: 35a40510fea95b8c3dc905b4ff64dbf2
username: jensj
key_value_pairs:
  {"uid": "Co2I6-04fd9e7d4375-2-1_0_0_1-0_-0.7", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB3/CoI3/Co2I6-04fd9e7d4375/Co2I6-2-1_0_0_1-0_-0.7", "stoichiometry": "AB3", "monolayer_uid": "Co2I6-04fd9e7d4375", "bilayer_uid": "Co2I6-04fd9e7d4375-2-1_0_0_1-0_-0.7", "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 0 2 2 4 5 5 7 0 0 5 5 7 2 2 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.443, "gap_pbe_dir": 0.56, "gap_pbe_nosoc": 0.75, "gap_pbe_dir_nosoc": 0.765, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 13.797085577844005, "binding_energy_gs": 14.151506296656567, "distance": 3.602687500000007}


unique_id: 8f101f787e6dc0914c19dd4af48f23d0
username: jensj
key_value_pairs:
  {"uid": "Co2I6-04fd9e7d4375-2-1_0_0_1--0.01_-0.7", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB3/CoI3/Co2I6-04fd9e7d4375/Co2I6-2-1_0_0_1--0.01_-0.7", "stoichiometry": "AB3", "monolayer_uid": "Co2I6-04fd9e7d4375", "bilayer_uid": "Co2I6-04fd9e7d4375-2-1_0_0_1--0.01_-0.7", "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 1 0 5 6 7 2 3 4]", "has_inversion_symmetry": true, "magnetic": false, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 13.791437229442195, "binding_energy_gs": 14.145971497736143, "distance": 3.602687500000007}


unique_id: f8ac3a79a234980afc5455a6236db1e7
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Co2I6-04fd9e7d4375-2-1_-1_1_0-0.69_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB3/CoI3/Co2I6-04fd9e7d4375/Co2I6-2-1_-1_1_0-0.69_0", "stoichiometry": "AB3", "monolayer_uid": "Co2I6-04fd9e7d4375", "bilayer_uid": "Co2I6-04fd9e7d4375-2-1_-1_1_0-0.69_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  0  2  3  3  5  6  6  8  8 10 10 12 13 13 15]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.425, "gap_pbe_dir": 0.507, "gap_pbe_nosoc": 0.767, "gap_pbe_dir_nosoc": 0.784, "dipz": 0.011, "interlayer_magnetic_exchange": -9.666895337545611e-07, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 13.539079570744741, "binding_energy_gs": 13.893396653665778, "distance": 3.6273750000000042}


unique_id: b3e2c034d956b374aa3aeeaebf4b8f83
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Co2I6-04fd9e7d4375-2-1_-1_1_0-0.01_-0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB3/CoI3/Co2I6-04fd9e7d4375/Co2I6-2-1_-1_1_0-0.01_-0.31", "stoichiometry": "AB3", "monolayer_uid": "Co2I6-04fd9e7d4375", "bilayer_uid": "Co2I6-04fd9e7d4375-2-1_-1_1_0-0.01_-0.31", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  0  2  2  4  5  5  7  8  8 10 11 10 13 14 13]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.425, "gap_pbe_dir": 0.508, "gap_pbe_nosoc": 0.767, "gap_pbe_dir_nosoc": 0.785, "dipz": 0.011, "interlayer_magnetic_exchange": 2.9287293870083886e-06, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 13.537036057294792, "binding_energy_gs": 13.891638357270264, "distance": 3.6273750000000042}


unique_id: ab8ab7e98c25602a91d899208aa46eac
username: jensj
key_value_pairs:
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unique_id: 1fe716c962fd32334e6ddb072f5158e6
username: jensj
key_value_pairs:
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unique_id: 4ed1f6d3faead4442e4335944d5e399a
username: jensj
key_value_pairs:
  {"uid": "Co2I6-04fd9e7d4375-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB3/CoI3/Co2I6-04fd9e7d4375/Co2I6-2-1_0_0_1-0.5_0", "stoichiometry": "AB3", "monolayer_uid": "Co2I6-04fd9e7d4375", "bilayer_uid": "Co2I6-04fd9e7d4375-2-1_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 0 2 3 3 5 6 6 0 0 5 6 6 2 3 3]", "has_inversion_symmetry": true, "magnetic": false, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 11.33645842133866, "binding_energy_gs": 11.328978280136665, "distance": 3.9634373569135057}


unique_id: df00a5263283cd53e684b1bcb34af893
username: jensj
key_value_pairs:
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unique_id: 2e95e7ff5ea0ba2396bc29a84e2a52bd
username: jensj
key_value_pairs:
  {"uid": "Co2I6-04fd9e7d4375-2-1_0_0_1-0.3_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB3/CoI3/Co2I6-04fd9e7d4375/Co2I6-2-1_0_0_1-0.3_0.33", "stoichiometry": "AB3", "monolayer_uid": "Co2I6-04fd9e7d4375", "bilayer_uid": "Co2I6-04fd9e7d4375-2-1_0_0_1-0.3_0.33", "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 1 0 5 6 7 2 3 4]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.018909995061335, "binding_energy_gs": 11.01002301698683, "distance": 4.050334823998602}


unique_id: e9078e625295f5f7abc72a9a278e368a
username: jensj
key_value_pairs:
  {"uid": "Co2I6-04fd9e7d4375-2-1_-1_1_0-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB3/CoI3/Co2I6-04fd9e7d4375/Co2I6-2-1_-1_1_0-0_0", "stoichiometry": "AB3", "monolayer_uid": "Co2I6-04fd9e7d4375", "bilayer_uid": "Co2I6-04fd9e7d4375-2-1_-1_1_0-0_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 79, "layer_group": "p-62m", "space_group_number": 189, "space_group": "P-62m", "equivalent_atoms": "[0 0 2 2 2 5 5 5 0 0 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 10.116586512789723, "binding_energy_gs": 10.102914847550588, "distance": 4.168267100756946}


unique_id: f97a64bbb48b85446884df7a19ceea67
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cr2Br6-e406fd4547de", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB3/CrBr3/Cr2Br6-e406fd4547de", "stoichiometry": "AB3", "monolayer_uid": "Cr2Br6-e406fd4547de", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 0 2 2 2 2 2 2]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 1010151, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 1.86, "gap_pbe_dir": 1.888, "gap_pbe_nosoc": 2.051, "gap_pbe_dir_nosoc": 2.095, "dipz": 0.0}


unique_id: 128f40ce85bcf90cb69e1133afc09f10
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cr2Br6-e406fd4547de-2-1_0_0_1-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB3/CrBr3/Cr2Br6-e406fd4547de/Br6Cr2-2-1_0_0_1-0.33_-0.33", "stoichiometry": "AB3", "monolayer_uid": "Cr2Br6-e406fd4547de", "bilayer_uid": "Cr2Br6-e406fd4547de-2-1_0_0_1-0.33_-0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 2 2 5 5 5 1 0 5 5 5 2 2 2]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 1010151, "gap_pbe": 1.798, "gap_pbe_dir": 1.821, "gap_pbe_nosoc": 1.989, "gap_pbe_dir_nosoc": 2.025, "dipz": -0.0, "interlayer_magnetic_exchange": -0.003393160787169336, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 129.159822111144, "binding_energy_gs": 13.412559639551075, "distance": 3.262000000000004}


unique_id: 1a2af9b0e48113eaae5874b71ff0fa91
username: jensj
key_value_pairs:
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unique_id: 767ccf934f6c3744043f400a4e6c00f1
username: jensj
key_value_pairs:
  {"uid": "Cr2Br6-e406fd4547de-2-1_-1_1_0-0.03_-0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB3/CrBr3/Cr2Br6-e406fd4547de/Br6Cr2-2-1_-1_1_0-0.03_-0.31", "stoichiometry": "AB3", "monolayer_uid": "Cr2Br6-e406fd4547de", "bilayer_uid": "Cr2Br6-e406fd4547de-2-1_-1_1_0-0.03_-0.31", "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]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 1010151, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 128.873281342512, "binding_energy_gs": 13.13281586166597, "distance": 3.3015000000000025}


unique_id: 24979206af61349edbfcf543cf6ecde5
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cr2Br6-e406fd4547de-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB3/CrBr3/Cr2Br6-e406fd4547de/Br6Cr2-2-1_0_0_1-0_0", "stoichiometry": "AB3", "monolayer_uid": "Cr2Br6-e406fd4547de", "bilayer_uid": "Cr2Br6-e406fd4547de-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 0 2 2 2 5 5 5 0 0 5 5 5 2 2 2]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 1010151, "gap_pbe": 1.773, "gap_pbe_dir": 1.8, "gap_pbe_nosoc": 1.961, "gap_pbe_dir_nosoc": 1.981, "dipz": -0.0, "interlayer_magnetic_exchange": -0.0010429056095517808, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 128.11712571558922, "binding_energy_gs": 12.370179389366065, "distance": 3.380500000000005}


unique_id: a789c28e4886215d5102de0d11a0d347
username: jensj
key_value_pairs:
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unique_id: 1290d1a85bb8fc1f2a9dea646909708e
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
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unique_id: 6d0a67eb0964f9aa93dd63afb3031092
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Cr2Br6-e406fd4547de-2-1_0_0_1-0_-0.69", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB3/CrBr3/Cr2Br6-e406fd4547de/Br6Cr2-2-1_0_0_1-0_-0.69", "stoichiometry": "AB3", "monolayer_uid": "Cr2Br6-e406fd4547de", "bilayer_uid": "Cr2Br6-e406fd4547de-2-1_0_0_1-0_-0.69", "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 0 2 2 4 5 5 7 0 0 5 5 7 2 2 4]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 1010151, "gap_pbe": 1.87, "gap_pbe_dir": 1.887, "gap_pbe_nosoc": 2.061, "gap_pbe_dir_nosoc": 2.091, "dipz": -0.0, "interlayer_magnetic_exchange": 0.00020514144040362225, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 127.7699228647002, "binding_energy_gs": 13.193034420163851, "distance": 3.2940937500000054}


unique_id: d17d955c0c5e3b0eeda0b7435c39a66d
username: jensj
calculator: unknown
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key_value_pairs:
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