# systems

unique_id: 47dd373e22f75d350b3d37d23566bff3
username: jensj
key_value_pairs:
  {"uid": "MnGa2S4-5b314402873d-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnGa2S4/MnGa2S4-5b314402873d/M.Ga2MnS4-2-1_0_0_1--0.67_-0.33", "stoichiometry": "AB2C4", "monolayer_uid": "MnGa2S4-5b314402873d", "bilayer_uid": "MnGa2S4-5b314402873d-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, "icsd_id": 634670, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.883521742586673, "binding_energy_gs": 19.9836355931454, "distance": 3.0956574447384106}


unique_id: 8eca912789e8a9da9f931bb00484ad10
username: jensj
key_value_pairs:
  {"uid": "MnGa2S4-5b314402873d-2-1_-1_1_0--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnGa2S4/MnGa2S4-5b314402873d/M.Ga2MnS4-2-1_-1_1_0--0.33_-0.67", "stoichiometry": "AB2C4", "monolayer_uid": "MnGa2S4-5b314402873d", "bilayer_uid": "MnGa2S4-5b314402873d-2-1_-1_1_0--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, "icsd_id": 634670, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 20.109125572268045, "binding_energy_gs": 20.192067844745512, "distance": 3.036407444738405}


unique_id: 956fe751470a658cd116e94b208b98cf
username: jensj
key_value_pairs:
  {"uid": "MnGa2S4-5b314402873d-2-1_-1_1_0--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnGa2S4/MnGa2S4-5b314402873d/M.Ga2MnS4-2-1_-1_1_0--0.67_-0.33", "stoichiometry": "AB2C4", "monolayer_uid": "MnGa2S4-5b314402873d", "bilayer_uid": "MnGa2S4-5b314402873d-2-1_-1_1_0--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, "icsd_id": 634670, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.670609984760738, "binding_energy_gs": 19.74728125983812, "distance": 3.135157444738411}


unique_id: 5f39b697bc2b3a960ec5c8a7dcc7323f
username: jensj
key_value_pairs:
  {"uid": "MnGa2S4-5b314402873d-2-1_0_0_1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnGa2S4/MnGa2S4-5b314402873d/M.Ga2MnS4-2-1_0_0_1--0.33_-0.67", "stoichiometry": "AB2C4", "monolayer_uid": "MnGa2S4-5b314402873d", "bilayer_uid": "MnGa2S4-5b314402873d-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]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 634670, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.883596136204236, "binding_energy_gs": 19.983668240588365, "distance": 3.0956574447384106}


unique_id: 7b94a3a2c3746f5428ea6a2a61200e24
username: jensj
key_value_pairs:
  {"uid": "MnGa2S4-5b314402873d-2-1_-1_1_0-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnGa2S4/MnGa2S4-5b314402873d/M.Ga2MnS4-2-1_-1_1_0-0.5_0", "stoichiometry": "AB2C4", "monolayer_uid": "MnGa2S4-5b314402873d", "bilayer_uid": "MnGa2S4-5b314402873d-2-1_-1_1_0-0.5_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, "icsd_id": 634670, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.754137212474934, "binding_energy_gs": 18.865743882849106, "distance": 3.1944074447384097}


unique_id: 636bde5cc839df4ebc2785c44e2c620c
username: jensj
key_value_pairs:
  {"uid": "MnGa2S4-5b314402873d-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnGa2S4/MnGa2S4-5b314402873d/M.Ga2MnS4-2-1_0_0_1-0.5_0", "stoichiometry": "AB2C4", "monolayer_uid": "MnGa2S4-5b314402873d", "bilayer_uid": "MnGa2S4-5b314402873d-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 1 2 3 4 5 6]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 634670, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.77997199341175, "binding_energy_gs": 18.89328613674661, "distance": 3.1944074447384097}


unique_id: cec7fedf6d675d3950c6a920f0f62935
username: jensj
key_value_pairs:
  {"uid": "MnGa2S4-5b314402873d-2-1_-1_1_0--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnGa2S4/MnGa2S4-5b314402873d/M.Ga2MnS4-2-1_-1_1_0--0.33_0.33", "stoichiometry": "AB2C4", "monolayer_uid": "MnGa2S4-5b314402873d", "bilayer_uid": "MnGa2S4-5b314402873d-2-1_-1_1_0--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 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 634670, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 20.10873265420834, "binding_energy_gs": 20.1920678377016, "distance": 3.036407444738405}


unique_id: a5761948aa9e4fd9f7c52402b382f0a0
username: jensj
key_value_pairs:
  {"uid": "MnGa2S4-5b314402873d-2-1_0_0_1-0.67_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnGa2S4/MnGa2S4-5b314402873d/M.Ga2MnS4-2-1_0_0_1-0.67_0.33", "stoichiometry": "AB2C4", "monolayer_uid": "MnGa2S4-5b314402873d", "bilayer_uid": "MnGa2S4-5b314402873d-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, "icsd_id": 634670, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.88336861488221, "binding_energy_gs": 19.983668170423446, "distance": 3.0956574447384106}


unique_id: 3d618273a730b19165099906ffdb2369
username: jensj
key_value_pairs:
  {"uid": "MnGa2S4-5b314402873d-2-1_0_0_1-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnGa2S4/MnGa2S4-5b314402873d/M.Ga2MnS4-2-1_0_0_1-0_0.5", "stoichiometry": "AB2C4", "monolayer_uid": "MnGa2S4-5b314402873d", "bilayer_uid": "MnGa2S4-5b314402873d-2-1_0_0_1-0_0.5", "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 1 2 3 4 5 6]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 634670, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.780118789456502, "binding_energy_gs": 18.892437298528858, "distance": 3.1944074447384097}


unique_id: 397d3bbd0fb6a98584602d773ff6c0ce
username: jensj
key_value_pairs:
  {"uid": "MnGa2S4-5b314402873d-2-1_-1_1_0-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnGa2S4/MnGa2S4-5b314402873d/M.Ga2MnS4-2-1_-1_1_0-0_0.5", "stoichiometry": "AB2C4", "monolayer_uid": "MnGa2S4-5b314402873d", "bilayer_uid": "MnGa2S4-5b314402873d-2-1_-1_1_0-0_0.5", "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, "icsd_id": 634670, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.754348377065586, "binding_energy_gs": 18.86474106330336, "distance": 3.1944074447384097}


unique_id: 15fa5fdc34f4abe7b126c3a26c0173bd
username: jensj
key_value_pairs:
  {"uid": "MnGa2S4-5b314402873d-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnGa2S4/MnGa2S4-5b314402873d/Ga2MnS4-2-1_0_0_1-0_0", "stoichiometry": "AB2C4", "monolayer_uid": "MnGa2S4-5b314402873d", "bilayer_uid": "MnGa2S4-5b314402873d-2-1_0_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]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 634670, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.234550416842634, "binding_energy_gs": 17.298633966880313, "distance": 3.607624999999988}


unique_id: 222995ea3d0336dfbb21e7272404d8bc
username: jensj
key_value_pairs:
  {"uid": "MnGa2S4-5b314402873d-2-1_-1_1_0-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnGa2S4/MnGa2S4-5b314402873d/Ga2MnS4-2-1_-1_1_0-0_0", "stoichiometry": "AB2C4", "monolayer_uid": "MnGa2S4-5b314402873d", "bilayer_uid": "MnGa2S4-5b314402873d-2-1_-1_1_0-0_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]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 634670, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.207868904623428, "binding_energy_gs": 17.270776109453564, "distance": 3.607624999999988}


unique_id: b07a2c008c782a39053f2025da52f353
username: jensj
key_value_pairs:
  {"uid": "MnGa2S4-5b314402873d-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnGa2S4/MnGa2S4-5b314402873d/Ga2MnS4-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "AB2C4", "monolayer_uid": "MnGa2S4-5b314402873d", "bilayer_uid": "MnGa2S4-5b314402873d-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, "icsd_id": 634670, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.82746836175405, "binding_energy_gs": 16.905310070603775, "distance": 3.087402797968373}


unique_id: 736d019437aa15ef5c3a53efe7580e98
username: jensj
key_value_pairs:
  {"uid": "MnGa2S4-5b314402873d-2--1_1_-1_0-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnGa2S4/MnGa2S4-5b314402873d/Ga2MnS4-2--1_1_-1_0-Iz--0.67_-0.33", "stoichiometry": "AB2C4", "monolayer_uid": "MnGa2S4-5b314402873d", "bilayer_uid": "MnGa2S4-5b314402873d-2--1_1_-1_0-Iz--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, "icsd_id": 634670, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.754849432565848, "binding_energy_gs": 16.839157645058144, "distance": 3.1071527979683715}


unique_id: 3043c540cc92271c4cb1e00cce843768
username: jensj
key_value_pairs:
  {"uid": "MnGa2S4-5b314402873d-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnGa2S4/MnGa2S4-5b314402873d/Ga2MnS4-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "AB2C4", "monolayer_uid": "MnGa2S4-5b314402873d", "bilayer_uid": "MnGa2S4-5b314402873d-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, "icsd_id": 634670, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.62206643018435, "binding_energy_gs": 16.71638520033777, "distance": 3.117027797968369}


unique_id: eb8e3bd342b0a1c4aebbc0cf502aea71
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "MnIn2Se4-47a23138b0d3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnIn2Se4/MnIn2Se4-47a23138b0d3", "stoichiometry": "AB2C4", "monolayer_uid": "MnIn2Se4-47a23138b0d3", "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]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 639980, "ehull": 0.0662710585230134, "dynamically_stable": "Yes", "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.12}


unique_id: c74417eb5f6fea8ee6605d0f5a8bf0da
username: jensj
key_value_pairs:
  {"uid": "MnIn2Se4-47a23138b0d3-2-1_0_0_1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnIn2Se4/MnIn2Se4-47a23138b0d3/M.In2MnSe4-2-1_0_0_1--0.33_-0.67", "stoichiometry": "AB2C4", "monolayer_uid": "MnIn2Se4-47a23138b0d3", "bilayer_uid": "MnIn2Se4-47a23138b0d3-2-1_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]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 639980, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 20.17753645194975, "binding_energy_gs": 20.141880219237006, "distance": 3.1063840016343427}


unique_id: 72087e58c3cafb9786392e489ecb283e
username: jensj
key_value_pairs:
  {"uid": "MnIn2Se4-47a23138b0d3-2-1_-1_1_0--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnIn2Se4/MnIn2Se4-47a23138b0d3/M.In2MnSe4-2-1_-1_1_0--0.33_-0.67", "stoichiometry": "AB2C4", "monolayer_uid": "MnIn2Se4-47a23138b0d3", "bilayer_uid": "MnIn2Se4-47a23138b0d3-2-1_-1_1_0--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, "icsd_id": 639980, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.27727664603035, "binding_energy_gs": 21.20682972890885, "distance": 3.027384001634342}


unique_id: 149df6f2a158f74d90483d0142bde744
username: jensj
key_value_pairs:
  {"uid": "MnIn2Se4-47a23138b0d3-2-1_-1_1_0--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnIn2Se4/MnIn2Se4-47a23138b0d3/M.In2MnSe4-2-1_-1_1_0--0.67_-0.33", "stoichiometry": "AB2C4", "monolayer_uid": "MnIn2Se4-47a23138b0d3", "bilayer_uid": "MnIn2Se4-47a23138b0d3-2-1_-1_1_0--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, "icsd_id": 639980, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.045880968684333, "binding_energy_gs": 19.036730107498784, "distance": 3.165634001634345}


unique_id: 5539771bd0b3841ab99f40429da0f03c
username: jensj
key_value_pairs:
  {"uid": "MnIn2Se4-47a23138b0d3-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnIn2Se4/MnIn2Se4-47a23138b0d3/M.In2MnSe4-2-1_0_0_1--0.67_-0.33", "stoichiometry": "AB2C4", "monolayer_uid": "MnIn2Se4-47a23138b0d3", "bilayer_uid": "MnIn2Se4-47a23138b0d3-2-1_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, "icsd_id": 639980, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 20.177623215021317, "binding_energy_gs": 20.141900260683816, "distance": 3.1063840016343427}


unique_id: e452f6cc63f9156ef4ab9e0d7f9edc81
username: jensj
key_value_pairs:
  {"uid": "MnIn2Se4-47a23138b0d3-2-1_-1_1_0-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnIn2Se4/MnIn2Se4-47a23138b0d3/M.In2MnSe4-2-1_-1_1_0-0.5_0", "stoichiometry": "AB2C4", "monolayer_uid": "MnIn2Se4-47a23138b0d3", "bilayer_uid": "MnIn2Se4-47a23138b0d3-2-1_-1_1_0-0.5_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, "icsd_id": 639980, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.35164090888703, "binding_energy_gs": 18.378650595577785, "distance": 3.2742590016343414}


unique_id: 1dd44611f755d46373bcdc0bfce10ded
username: jensj
key_value_pairs:
  {"uid": "MnIn2Se4-47a23138b0d3-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnIn2Se4/MnIn2Se4-47a23138b0d3/M.In2MnSe4-2-1_0_0_1-0.5_0", "stoichiometry": "AB2C4", "monolayer_uid": "MnIn2Se4-47a23138b0d3", "bilayer_uid": "MnIn2Se4-47a23138b0d3-2-1_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 1 2 3 4 5 6]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 639980, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.376274141366714, "binding_energy_gs": 18.392525759699144, "distance": 3.2841340016343423}


unique_id: 638f4b83f3e18ff090930679f053e4d9
username: jensj
key_value_pairs:
  {"uid": "MnIn2Se4-47a23138b0d3-2-1_0_0_1-0.33_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnIn2Se4/MnIn2Se4-47a23138b0d3/M.In2MnSe4-2-1_0_0_1-0.33_0.67", "stoichiometry": "AB2C4", "monolayer_uid": "MnIn2Se4-47a23138b0d3", "bilayer_uid": "MnIn2Se4-47a23138b0d3-2-1_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]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 639980, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 20.17928385530752, "binding_energy_gs": 20.141900259661373, "distance": 3.1063840016343427}


unique_id: a554a26257c0500a78cf794d3ba51e24
username: jensj
key_value_pairs:
  {"uid": "MnIn2Se4-47a23138b0d3-2-1_-1_1_0-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnIn2Se4/MnIn2Se4-47a23138b0d3/M.In2MnSe4-2-1_-1_1_0-0.33_-0.33", "stoichiometry": "AB2C4", "monolayer_uid": "MnIn2Se4-47a23138b0d3", "bilayer_uid": "MnIn2Se4-47a23138b0d3-2-1_-1_1_0-0.33_-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 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 639980, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.045378192918108, "binding_energy_gs": 19.03673012208699, "distance": 3.165634001634345}


unique_id: a4ba2b2250cf52133c14c506e1007217
username: jensj
key_value_pairs:
  {"uid": "MnIn2Se4-47a23138b0d3-2-1_0_0_1-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnIn2Se4/MnIn2Se4-47a23138b0d3/M.In2MnSe4-2-1_0_0_1-0_0.5", "stoichiometry": "AB2C4", "monolayer_uid": "MnIn2Se4-47a23138b0d3", "bilayer_uid": "MnIn2Se4-47a23138b0d3-2-1_0_0_1-0_0.5", "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 1 2 3 4 5 6]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 639980, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.375667965151553, "binding_energy_gs": 18.393984500238805, "distance": 3.2841340016343423}


unique_id: 787e1477ce90d5e088d92a85ca84f8e3
username: jensj
key_value_pairs:
  {"uid": "MnIn2Se4-47a23138b0d3-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnIn2Se4/MnIn2Se4-47a23138b0d3/In2MnSe4-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "AB2C4", "monolayer_uid": "MnIn2Se4-47a23138b0d3", "bilayer_uid": "MnIn2Se4-47a23138b0d3-2--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, "icsd_id": 639980, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.371438592477368, "binding_energy_gs": 18.494304956078054, "distance": 2.908403492911983}


unique_id: 95b8dd8163b4ebba7f6f7e5ea9239a65
username: jensj
key_value_pairs:
  {"uid": "MnIn2Se4-47a23138b0d3-2-1_-1_1_0-0_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnIn2Se4/MnIn2Se4-47a23138b0d3/M.In2MnSe4-2-1_-1_1_0-0_0.5", "stoichiometry": "AB2C4", "monolayer_uid": "MnIn2Se4-47a23138b0d3", "bilayer_uid": "MnIn2Se4-47a23138b0d3-2-1_-1_1_0-0_0.5", "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, "icsd_id": 639980, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.351143043224972, "binding_energy_gs": 18.37975940943181, "distance": 3.2742590016343414}


unique_id: ac6e3122d4326883c302cbff6394f27c
username: jensj
key_value_pairs:
  {"uid": "MnIn2Se4-47a23138b0d3-2--1_1_-1_0-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnIn2Se4/MnIn2Se4-47a23138b0d3/In2MnSe4-2--1_1_-1_0-Iz--0.33_-0.67", "stoichiometry": "AB2C4", "monolayer_uid": "MnIn2Se4-47a23138b0d3", "bilayer_uid": "MnIn2Se4-47a23138b0d3-2--1_1_-1_0-Iz--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]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 639980, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.92976564216578, "binding_energy_gs": 18.02347769375528, "distance": 3.017028492911983}


unique_id: 28dd18a4b616831ffcea6c6ff46449ec
username: jensj
key_value_pairs:
  {"uid": "MnIn2Se4-47a23138b0d3-2--1_0_0_-1-Iz--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnIn2Se4/MnIn2Se4-47a23138b0d3/In2MnSe4-2--1_0_0_-1-Iz--0.67_-0.33", "stoichiometry": "AB2C4", "monolayer_uid": "MnIn2Se4-47a23138b0d3", "bilayer_uid": "MnIn2Se4-47a23138b0d3-2--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, "icsd_id": 639980, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.784293944928265, "binding_energy_gs": 17.86996577342836, "distance": 3.0466534929119824}


unique_id: f1d198dbb701e2b9fefbc1efd54a3202
username: jensj
key_value_pairs:
  {"uid": "MnIn2Se4-47a23138b0d3-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnIn2Se4/MnIn2Se4-47a23138b0d3/In2MnSe4-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "AB2C4", "monolayer_uid": "MnIn2Se4-47a23138b0d3", "bilayer_uid": "MnIn2Se4-47a23138b0d3-2--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, "icsd_id": 639980, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.373442564521515, "binding_energy_gs": 16.457762584885103, "distance": 3.1355284929119875}


unique_id: 3871de85fbbb70788339b1f330c7ebe7
username: jensj
key_value_pairs:
  {"uid": "MnIn2Se4-47a23138b0d3-2--1_1_-1_0-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnIn2Se4/MnIn2Se4-47a23138b0d3/In2MnSe4-2--1_1_-1_0-Iz-0.5_0", "stoichiometry": "AB2C4", "monolayer_uid": "MnIn2Se4-47a23138b0d3", "bilayer_uid": "MnIn2Se4-47a23138b0d3-2--1_1_-1_0-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 0 1 2 3 4 5 6]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 639980, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.280317545767346, "binding_energy_gs": 16.376635107136075, "distance": 3.145403492911992}


unique_id: d31130d49b7a29cbabd16d30e23db200
username: jensj
key_value_pairs:
  {"uid": "MnIn2Se4-47a23138b0d3-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnIn2Se4/MnIn2Se4-47a23138b0d3/In2MnSe4-2-1_0_0_1-0_0", "stoichiometry": "AB2C4", "monolayer_uid": "MnIn2Se4-47a23138b0d3", "bilayer_uid": "MnIn2Se4-47a23138b0d3-2-1_0_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]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 639980, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 15.93550197940511, "binding_energy_gs": 15.961900886245397, "distance": 3.686624999999985}


unique_id: fbc52eef33b11c0b686a422dd0de8533
username: jensj
key_value_pairs:
  {"uid": "MnIn2Se4-47a23138b0d3-2-1_-1_1_0-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/MnIn2Se4/MnIn2Se4-47a23138b0d3/In2MnSe4-2-1_-1_1_0-0_0", "stoichiometry": "AB2C4", "monolayer_uid": "MnIn2Se4-47a23138b0d3", "bilayer_uid": "MnIn2Se4-47a23138b0d3-2-1_-1_1_0-0_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]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 639980, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 15.933137246688666, "binding_energy_gs": 15.954972425658312, "distance": 3.6767499999999878}


unique_id: 7f9d89c5a97dff1e70a68ae5950bc980
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "NiGa2S4-e701ba2c76a0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/NiGa2S4/NiGa2S4-e701ba2c76a0", "stoichiometry": "AB2C4", "monolayer_uid": "NiGa2S4-e701ba2c76a0", "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]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 634901, "ehull": 0.03165017265356396, "dynamically_stable": "Yes", "gap_pbe": 0.999, "gap_pbe_dir": 1.071, "gap_pbe_nosoc": 1.0, "gap_pbe_dir_nosoc": 1.073, "dipz": -0.0}


unique_id: dc5f93d0f7fff5776cfbd0f98a9605dc
username: jensj
key_value_pairs:
  {"uid": "NiGa2S4-e701ba2c76a0-2--1_0_0_-1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/NiGa2S4/NiGa2S4-e701ba2c76a0/Ga2NiS4-2--1_0_0_-1--0.33_-0.67", "stoichiometry": "AB2C4", "monolayer_uid": "NiGa2S4-e701ba2c76a0", "bilayer_uid": "NiGa2S4-e701ba2c76a0-2--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]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 634901, "with_props": true, "slide_stability": "Badfit", "binding_energy_zscan": 222.0208215698427, "binding_energy_gs": 17.159644259628326, "distance": 3.133624999999981}


unique_id: 9a146799616b6d130f2198122b09f73d
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "NiGa2S4-e701ba2c76a0-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/NiGa2S4/NiGa2S4-e701ba2c76a0/Ga2NiS4-2-1_0_0_1-0_0", "stoichiometry": "AB2C4", "monolayer_uid": "NiGa2S4-e701ba2c76a0", "bilayer_uid": "NiGa2S4-e701ba2c76a0-2-1_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 0 2 1 4 3 6 5]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 634901, "gap_pbe": 0.916, "gap_pbe_dir": 0.988, "gap_pbe_nosoc": 0.917, "gap_pbe_dir_nosoc": 0.99, "dipz": 0.0, "interlayer_magnetic_exchange": 0.00012907614856771943, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 222.00194819515522, "binding_energy_gs": 17.148194017007718, "distance": 3.1434999999999818}


unique_id: 6d233b9b87ea0b455475ebed8b6e264b
username: jensj
key_value_pairs:
  {"uid": "NiGa2S4-e701ba2c76a0-2-1_0_0_1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/NiGa2S4/NiGa2S4-e701ba2c76a0/Ga2NiS4-2-1_0_0_1--0.33_-0.67", "stoichiometry": "AB2C4", "monolayer_uid": "NiGa2S4-e701ba2c76a0", "bilayer_uid": "NiGa2S4-e701ba2c76a0-2-1_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 0 2 1 4 3 6 5]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 634901, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 221.97644902953954, "binding_energy_gs": -187.7531232246045, "distance": 3.133624999999981}


unique_id: 715671b8f2404737cc5c25762e014e5a
username: jensj
key_value_pairs:
  {"uid": "NiGa2S4-e701ba2c76a0-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/NiGa2S4/NiGa2S4-e701ba2c76a0/Ga2NiS4-2-1_0_0_1-0.79_0.58", "stoichiometry": "AB2C4", "monolayer_uid": "NiGa2S4-e701ba2c76a0", "bilayer_uid": "NiGa2S4-e701ba2c76a0-2-1_0_0_1-0.79_0.58", "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 2 1 4 3 6 5]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 634901, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 220.94192518175132, "binding_energy_gs": 16.08977967729492, "distance": 3.2422499999999843}


unique_id: 2a2c7daf9d8dc0f1ede7578b58f2a7f9
username: jensj
key_value_pairs:
  {"uid": "NiGa2S4-e701ba2c76a0-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/NiGa2S4/NiGa2S4-e701ba2c76a0/Ga2NiS4-2--1_0_0_-1-0.5_0", "stoichiometry": "AB2C4", "monolayer_uid": "NiGa2S4-e701ba2c76a0", "bilayer_uid": "NiGa2S4-e701ba2c76a0-2--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, "icsd_id": 634901, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 220.81453857714726, "binding_energy_gs": 15.960007556184726, "distance": 3.27187499999998}


unique_id: 1b4b1c3be9fccf9513cbf4fa03b85ca8
username: jensj
key_value_pairs:
  {"uid": "NiGa2S4-e701ba2c76a0-2--1_0_0_-1-0.66_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/NiGa2S4/NiGa2S4-e701ba2c76a0/Ga2NiS4-2--1_0_0_-1-0.66_0.33", "stoichiometry": "AB2C4", "monolayer_uid": "NiGa2S4-e701ba2c76a0", "bilayer_uid": "NiGa2S4-e701ba2c76a0-2--1_0_0_-1-0.66_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, "icsd_id": 634901, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 220.74755538131578, "distance": 3.1385624999999777}


unique_id: ffb5683ef33a4e684b143cb471ab70b1
username: jensj
key_value_pairs:
  {"uid": "NiGa2S4-e701ba2c76a0-2-1_0_0_1-0.66_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/NiGa2S4/NiGa2S4-e701ba2c76a0/Ga2NiS4-2-1_0_0_1-0.66_0.33", "stoichiometry": "AB2C4", "monolayer_uid": "NiGa2S4-e701ba2c76a0", "bilayer_uid": "NiGa2S4-e701ba2c76a0-2-1_0_0_1-0.66_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 2 1 4 3 6 5]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 634901, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 220.70509040752938, "distance": 3.1311562499999788}


unique_id: 8da1c3ad814471d38556d97e2308c9e7
username: jensj
key_value_pairs:
  {"uid": "NiGa2S4-e701ba2c76a0-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/NiGa2S4/NiGa2S4-e701ba2c76a0/Ga2NiS4-2--1_0_0_-1-0.79_0.58", "stoichiometry": "AB2C4", "monolayer_uid": "NiGa2S4-e701ba2c76a0", "bilayer_uid": "NiGa2S4-e701ba2c76a0-2--1_0_0_-1-0.79_0.58", "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]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 634901, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 219.6386099310238, "binding_energy_gs": 14.787201658480203, "distance": 3.3804999999999836}


unique_id: 77ad0658f49f7cf1b158d0609b2c32c3
username: jensj
key_value_pairs:
  {"uid": "NiGa2S4-e701ba2c76a0-2--1_0_0_-1-0.52_0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/NiGa2S4/NiGa2S4-e701ba2c76a0/Ga2NiS4-2--1_0_0_-1-0.52_0.03", "stoichiometry": "AB2C4", "monolayer_uid": "NiGa2S4-e701ba2c76a0", "bilayer_uid": "NiGa2S4-e701ba2c76a0-2--1_0_0_-1-0.52_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]", "has_inversion_symmetry": false, "magnetic": true, "icsd_id": 634901, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 219.5641927843364, "binding_energy_gs": 15.984293497362408, "distance": 3.264468749999981}


unique_id: 991aba2ea5892af2eb25d8efb5575580
username: jensj
key_value_pairs:
  {"uid": "NiGa2S4-e701ba2c76a0-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/NiGa2S4/NiGa2S4-e701ba2c76a0/Ga2NiS4-2-1_0_0_1-0.5_0", "stoichiometry": "AB2C4", "monolayer_uid": "NiGa2S4-e701ba2c76a0", "bilayer_uid": "NiGa2S4-e701ba2c76a0-2-1_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 0 2 1 4 3 6 5]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 634901, "with_props": false, "slide_stability": "None", "binding_energy_zscan": 218.51235744028259, "binding_energy_gs": 13.657308367624603, "distance": 3.528624999999984}


unique_id: dbaafa0414da76289bd72e556f8b0b26
username: jensj
key_value_pairs:
  {"uid": "NiGa2S4-e701ba2c76a0-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/NiGa2S4/NiGa2S4-e701ba2c76a0/Ga2NiS4-2-1_0_0_1--0.67_-0.33", "stoichiometry": "AB2C4", "monolayer_uid": "NiGa2S4-e701ba2c76a0", "bilayer_uid": "NiGa2S4-e701ba2c76a0-2-1_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 0 2 1 4 3 6 5]", "has_inversion_symmetry": true, "magnetic": true, "icsd_id": 634901, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 216.71151608797007, "binding_energy_gs": 11.856546623302137, "distance": 3.765624999999986}


unique_id: ece48221dd6e06243f3441e0a933e8b6
username: jensj
key_value_pairs:
  {"uid": "NiGa2S4-e701ba2c76a0-2--1_0_0_-1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/NiGa2S4/NiGa2S4-e701ba2c76a0/Ga2NiS4-2--1_0_0_-1-0_0", "stoichiometry": "AB2C4", "monolayer_uid": "NiGa2S4-e701ba2c76a0", "bilayer_uid": "NiGa2S4-e701ba2c76a0-2--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, "icsd_id": 634901, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 216.6943015878843, "binding_energy_gs": 11.841756075233596, "distance": 3.765624999999986}


unique_id: 5696ca8ddfac40a70945301b5f4eb14e
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "SCu2O4-9d36efdb30fd", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/SCu2O4/SCu2O4-9d36efdb30fd", "stoichiometry": "AB2C4", "monolayer_uid": "SCu2O4-9d36efdb30fd", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 22, "layer_group": "c222", "space_group_number": 21, "space_group": "C222", "equivalent_atoms": "[0 0 2 3 3 3 3]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 40452, "ehull": 0.022902060880298336, "dynamically_stable": "Yes", "gap_pbe": 2.317, "gap_pbe_dir": 2.664, "gap_pbe_nosoc": 2.323, "gap_pbe_dir_nosoc": 2.672, "dipz": -0.0}


unique_id: 44ce592c2c06367463272cad8f72d0bc
username: jensj
key_value_pairs:
  {"uid": "SCu2O4-9d36efdb30fd-2--1_0_0_-1-Iz-0_-0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/SCu2O4/SCu2O4-9d36efdb30fd/Cu2O4S-2--1_0_0_-1-Iz-0_-0.5", "stoichiometry": "AB2C4", "monolayer_uid": "SCu2O4-9d36efdb30fd", "bilayer_uid": "SCu2O4-9d36efdb30fd-2--1_0_0_-1-Iz-0_-0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 7, "layer_group": "p112/a", "space_group_number": 13, "space_group": "P2/c", "equivalent_atoms": "[0 1 2 3 4 3 4 0 1 2 3 4 3 4]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 40452, "gap_pbe": 2.056, "gap_pbe_dir": 2.284, "gap_pbe_nosoc": 2.062, "gap_pbe_dir_nosoc": 2.29, "dipz": -0.001, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 51.72477806007958, "binding_energy_gs": 27.15114298375777, "distance": 1.9089399330175638}


unique_id: faeb84ea671d9e0f9956363c906e6d97
username: jensj
key_value_pairs:
  {"uid": "SCu2O4-9d36efdb30fd-2-1_0_0_1--0.5_-0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/SCu2O4/SCu2O4-9d36efdb30fd/Cu2O4S-2-1_0_0_1--0.5_-0.5", "stoichiometry": "AB2C4", "monolayer_uid": "SCu2O4-9d36efdb30fd", "bilayer_uid": "SCu2O4-9d36efdb30fd-2-1_0_0_1--0.5_-0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 3, "layer_group": "p112", "space_group_number": 3, "space_group": "P2", "equivalent_atoms": "[ 0  1  2  3  4  3  4  7  8  9 10 11 10 11]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 40452, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 43.144366352069085, "binding_energy_gs": 18.57006816042481, "distance": 2.4559832094766563}


unique_id: 1289c87d551c9db8a6ae0eb14c6cd7dd
username: jensj
key_value_pairs:
  {"uid": "SCu2O4-9d36efdb30fd-2--1_0_0_-1-Iz--0.1_-0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/SCu2O4/SCu2O4-9d36efdb30fd/Cu2O4S-2--1_0_0_-1-Iz--0.1_-0.34", "stoichiometry": "AB2C4", "monolayer_uid": "SCu2O4-9d36efdb30fd", "bilayer_uid": "SCu2O4-9d36efdb30fd-2--1_0_0_-1-Iz--0.1_-0.34", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 0 1 2 3 4 5 6]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 40452, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 41.97006835503645, "binding_energy_gs": 17.395875966535, "distance": 2.4294277106194144}


unique_id: 6816b1cde97c0662aa8d550f5e207042
username: jensj
key_value_pairs:
  {"uid": "SCu2O4-9d36efdb30fd-2-1_0_0_1--0.4_-0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C4/SCu2O4/SCu2O4-9d36efdb30fd/Cu2O4S-2-1_0_0_1--0.4_-0.66", "stoichiometry": "AB2C4", "monolayer_uid": "SCu2O4-9d36efdb30fd", "bilayer_uid": "SCu2O4-9d36efdb30fd-2-1_0_0_1--0.4_-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]", "has_inversion_symmetry": false, "magnetic": false, "icsd_id": 40452, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 41.9315171515107, "binding_energy_gs": 17.357374503733823, "distance": 2.4559832094766563}


unique_id: 8bd68f0d2569fce6a4a68266475682f6
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "InI2Pt5-974e6231f937", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/AB2C5/InI2Pt5/InI2Pt5-974e6231f937", "stoichiometry": "AB2C5", "monolayer_uid": "InI2Pt5-974e6231f937", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 61, "layer_group": "p4/mmm", "space_group_number": 123, "space_group": "P4/mmm", "equivalent_atoms": "[0 1 1 1 1 5 6 6]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.11190097264804355, "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: 7c2510f9fdc0a3e54d5e4c00b6172033
username: jensj
key_value_pairs:
  {"uid": "InI2Pt5-974e6231f937-2-1_0_0_1-0.5_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/AB2C5/InI2Pt5/InI2Pt5-974e6231f937/I2InPt5-2-1_0_0_1-0.5_0.5", "stoichiometry": "AB2C5", "monolayer_uid": "InI2Pt5-974e6231f937", "bilayer_uid": "InI2Pt5-974e6231f937-2-1_0_0_1-0.5_0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 64, "layer_group": "p4/nmm", "space_group_number": 129, "space_group": "P4/nmm", "equivalent_atoms": "[0 1 1 3 3 5 6 7 0 3 3 1 1 5 7 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": -0.002, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 39.21506398812282, "binding_energy_gs": 39.91175699135697, "distance": 2.144604732966151}


unique_id: 1314edb7dae8726a4ca5b77b129d2833
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AlI2Ni5-33ca4510932d", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/AlI2Ni5/AlI2Ni5-33ca4510932d", "stoichiometry": "AB2C5", "monolayer_uid": "AlI2Ni5-33ca4510932d", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 61, "layer_group": "p4/mmm", "space_group_number": 123, "space_group": "P4/mmm", "equivalent_atoms": "[0 1 1 1 1 5 6 6]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.09470282486035886, "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: a5c1231d614f706a615fcaf0e6b7deb2
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "AlI2Ni5-33ca4510932d-2-1_0_0_1--0.5_-0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/AlI2Ni5/AlI2Ni5-33ca4510932d/AlI2Ni5-2-1_0_0_1--0.5_-0.5", "stoichiometry": "AB2C5", "monolayer_uid": "AlI2Ni5-33ca4510932d", "bilayer_uid": "AlI2Ni5-33ca4510932d-2-1_0_0_1--0.5_-0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 64, "layer_group": "p4/nmm", "space_group_number": 129, "space_group": "P4/nmm", "equivalent_atoms": "[0 1 1 3 3 5 6 7 0 3 3 1 1 5 7 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, "interlayer_magnetic_exchange": 4.5970520545779436e-07, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 27.003084679997276, "binding_energy_gs": 27.415566706491422, "distance": 2.9044750889500754}


unique_id: 8e1c5cac27433aad7119c9f52b03bc34
username: jensj
key_value_pairs:
  {"uid": "AlI2Ni5-33ca4510932d-2-1_0_0_1--0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/AlI2Ni5/AlI2Ni5-33ca4510932d/AlI2Ni5-2-1_0_0_1--0.5_0", "stoichiometry": "AB2C5", "monolayer_uid": "AlI2Ni5-33ca4510932d", "bilayer_uid": "AlI2Ni5-33ca4510932d-2-1_0_0_1--0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 41, "layer_group": "pmma", "space_group_number": 51, "space_group": "Pmma", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 3 4 1 2 5 7 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.38098074672535, "binding_energy_gs": 19.867605031457533, "distance": 3.46080913613147}


unique_id: 3fd006c1deefa855e5d874a1a55a12c2
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "GaI2Ni5-cd29fff81535", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/GaI2Ni5/GaI2Ni5-cd29fff81535", "stoichiometry": "AB2C5", "monolayer_uid": "GaI2Ni5-cd29fff81535", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 61, "layer_group": "p4/mmm", "space_group_number": 123, "space_group": "P4/mmm", "equivalent_atoms": "[0 1 1 1 1 5 6 6]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.0886293317363965, "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: d5e8784392629c87e5aca79e584a9311
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "GaI2Ni5-cd29fff81535-2-1_0_0_1--0.5_-0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/GaI2Ni5/GaI2Ni5-cd29fff81535/GaI2Ni5-2-1_0_0_1--0.5_-0.5", "stoichiometry": "AB2C5", "monolayer_uid": "GaI2Ni5-cd29fff81535", "bilayer_uid": "GaI2Ni5-cd29fff81535-2-1_0_0_1--0.5_-0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 64, "layer_group": "p4/nmm", "space_group_number": 129, "space_group": "P4/nmm", "equivalent_atoms": "[0 1 1 3 3 5 6 7 0 3 3 1 1 5 7 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, "interlayer_magnetic_exchange": -1.2300509411034e-07, "interlayer_magnetic_state": "FM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 27.128885145244137, "binding_energy_gs": 27.408889789357392, "distance": 2.9126834031642606}


unique_id: 64b9fb0689d9a998c9c9903738300b56
username: jensj
key_value_pairs:
  {"uid": "GaI2Ni5-cd29fff81535-2-1_0_0_1--0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/GaI2Ni5/GaI2Ni5-cd29fff81535/GaI2Ni5-2-1_0_0_1--0.5_0", "stoichiometry": "AB2C5", "monolayer_uid": "GaI2Ni5-cd29fff81535", "bilayer_uid": "GaI2Ni5-cd29fff81535-2-1_0_0_1--0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 41, "layer_group": "pmma", "space_group_number": 51, "space_group": "Pmma", "equivalent_atoms": "[0 1 2 3 4 5 6 7 0 3 4 1 2 5 7 6]", "has_inversion_symmetry": true, "magnetic": false, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.383155436553334, "binding_energy_gs": 19.81323472175336, "distance": 3.4576023377364233}


unique_id: 5f8dda220fa76d4d9f15c403dfd2afb7
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "GeTe2Fe5-7ee2024770c6", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/GeTe2Fe5/GeTe2Fe5-7ee2024770c6", "stoichiometry": "AB2C5", "monolayer_uid": "GeTe2Fe5-7ee2024770c6", "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]", "has_inversion_symmetry": false, "magnetic": true, "ehull": 0.051136755360706054, "dynamically_stable": "Yes", "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.02}


unique_id: a7902163857f229704fb3640286ee3d9
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "GeTe2Fe5-7ee2024770c6-2--1_0_0_-1-Iz-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/GeTe2Fe5/GeTe2Fe5-7ee2024770c6/Fe5GeTe2-2--1_0_0_-1-Iz-0.33_-0.33", "stoichiometry": "AB2C5", "monolayer_uid": "GeTe2Fe5-7ee2024770c6", "bilayer_uid": "GeTe2Fe5-7ee2024770c6-2--1_0_0_-1-Iz-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 0 1 2 3 4 5 6 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": 0.0041274261379129484, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 35.004154413552804, "binding_energy_gs": 34.96221209723765, "distance": 2.896203316481298}


unique_id: 59c062e3bfc718ca819676cb23aae889
username: jensj
key_value_pairs:
  {"uid": "GeTe2Fe5-7ee2024770c6-2-1_0_0_1-Iz-0.67_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/GeTe2Fe5/GeTe2Fe5-7ee2024770c6/Fe5GeTe2-2-1_0_0_1-Iz-0.67_0.33", "stoichiometry": "AB2C5", "monolayer_uid": "GeTe2Fe5-7ee2024770c6", "bilayer_uid": "GeTe2Fe5-7ee2024770c6-2-1_0_0_1-Iz-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]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 31.43078168404978, "binding_energy_gs": 31.399805539395086, "distance": 3.0838283164812967}


unique_id: 62ed90bc521ccfe5da26c65088e88885
username: jensj
key_value_pairs:
  {"uid": "GeTe2Fe5-7ee2024770c6-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/GeTe2Fe5/GeTe2Fe5-7ee2024770c6/Fe5GeTe2-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "AB2C5", "monolayer_uid": "GeTe2Fe5-7ee2024770c6", "bilayer_uid": "GeTe2Fe5-7ee2024770c6-2-1_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 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 30.371009929102996, "binding_energy_gs": 30.344274233667786, "distance": 3.123328316481297}


unique_id: a28dc7f2397278508991181b7c2c8b56
username: jensj
key_value_pairs:
  {"uid": "GeTe2Fe5-7ee2024770c6-2--1_0_0_-1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/GeTe2Fe5/GeTe2Fe5-7ee2024770c6/Fe5GeTe2-2--1_0_0_-1-0_0", "stoichiometry": "AB2C5", "monolayer_uid": "GeTe2Fe5-7ee2024770c6", "bilayer_uid": "GeTe2Fe5-7ee2024770c6-2--1_0_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]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 30.049992765123513, "binding_energy_gs": 30.031141794236625, "distance": 2.9558749999999847}


unique_id: 1d2339cb68b64e5a77358f2932bfe96d
username: jensj
key_value_pairs:
  {"uid": "GeTe2Fe5-7ee2024770c6-2--1_0_0_-1-Iz-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/GeTe2Fe5/GeTe2Fe5-7ee2024770c6/Fe5GeTe2-2--1_0_0_-1-Iz-0_0", "stoichiometry": "AB2C5", "monolayer_uid": "GeTe2Fe5-7ee2024770c6", "bilayer_uid": "GeTe2Fe5-7ee2024770c6-2--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 7 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 29.578955887937063, "binding_energy_gs": 29.512050684322464, "distance": 3.1727033164812983}


unique_id: d54afe1968c5ab2025754b278f9dca59
username: jensj
key_value_pairs:
  {"uid": "GeTe2Fe5-7ee2024770c6-2-1_0_0_1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/GeTe2Fe5/GeTe2Fe5-7ee2024770c6/Fe5GeTe2-2-1_0_0_1-Iz-0.79_0.58", "stoichiometry": "AB2C5", "monolayer_uid": "GeTe2Fe5-7ee2024770c6", "bilayer_uid": "GeTe2Fe5-7ee2024770c6-2-1_0_0_1-Iz-0.79_0.58", "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]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 28.864599795106884, "binding_energy_gs": 28.834190159368813, "distance": 3.241828316481298}


unique_id: 7c08cf951898c4ba7b8e08341e6083c3
username: jensj
key_value_pairs:
  {"uid": "GeTe2Fe5-7ee2024770c6-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/GeTe2Fe5/GeTe2Fe5-7ee2024770c6/Fe5GeTe2-2-1_0_0_1-0_0", "stoichiometry": "AB2C5", "monolayer_uid": "GeTe2Fe5-7ee2024770c6", "bilayer_uid": "GeTe2Fe5-7ee2024770c6-2-1_0_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]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 27.885039004595512, "binding_energy_gs": 27.860667435794653, "distance": 3.0743749999999856}


unique_id: f806eaf91dba2856e3bc9effd67cff83
username: jensj
key_value_pairs:
  {"uid": "GeTe2Fe5-7ee2024770c6-2-1_0_0_1-0.67_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/GeTe2Fe5/GeTe2Fe5-7ee2024770c6/Fe5GeTe2-2-1_0_0_1-0.67_0.33", "stoichiometry": "AB2C5", "monolayer_uid": "GeTe2Fe5-7ee2024770c6", "bilayer_uid": "GeTe2Fe5-7ee2024770c6-2-1_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]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 27.826701746929587, "binding_energy_gs": 27.828871188743115, "distance": 3.1138749999999877}


unique_id: dd92c90e50769a03a6ae541481916641
username: jensj
key_value_pairs:
  {"uid": "GeTe2Fe5-7ee2024770c6-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/GeTe2Fe5/GeTe2Fe5-7ee2024770c6/Fe5GeTe2-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "AB2C5", "monolayer_uid": "GeTe2Fe5-7ee2024770c6", "bilayer_uid": "GeTe2Fe5-7ee2024770c6-2--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 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 27.55803956493121, "binding_energy_gs": 27.557804829005867, "distance": 3.3208283164812986}


unique_id: 35f79397b7885987b40a38ead6dd4229
username: jensj
key_value_pairs:
  {"uid": "GeTe2Fe5-7ee2024770c6-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/GeTe2Fe5/GeTe2Fe5-7ee2024770c6/Fe5GeTe2-2-1_0_0_1-0.79_0.58", "stoichiometry": "AB2C5", "monolayer_uid": "GeTe2Fe5-7ee2024770c6", "bilayer_uid": "GeTe2Fe5-7ee2024770c6-2-1_0_0_1-0.79_0.58", "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]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 26.940409069092492, "binding_energy_gs": 26.93598179884622, "distance": 3.1533749999999845}


unique_id: d035af0fc46c3ad350f17aa9c34dffc9
username: jensj
key_value_pairs:
  {"uid": "GeTe2Fe5-7ee2024770c6-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/GeTe2Fe5/GeTe2Fe5-7ee2024770c6/Fe5GeTe2-2--1_0_0_-1-0.79_0.58", "stoichiometry": "AB2C5", "monolayer_uid": "GeTe2Fe5-7ee2024770c6", "bilayer_uid": "GeTe2Fe5-7ee2024770c6-2--1_0_0_-1-0.79_0.58", "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]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 26.170695458328737, "binding_energy_gs": 26.15209825319251, "distance": 3.232374999999985}


unique_id: 6dfbed68cdaa3c57328fed311f3b3193
username: jensj
key_value_pairs:
  {"uid": "GeTe2Fe5-7ee2024770c6-2--1_0_0_-1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C5/GeTe2Fe5/GeTe2Fe5-7ee2024770c6/M.Fe5GeTe2-2--1_0_0_-1--0.33_-0.67", "stoichiometry": "AB2C5", "monolayer_uid": "GeTe2Fe5-7ee2024770c6", "bilayer_uid": "GeTe2Fe5-7ee2024770c6-2--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 0 1 2 3 4 5 6 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 25.241569469329146, "binding_energy_gs": 25.251037574495122, "distance": 3.074291728431241}


unique_id: 1425215aef485b296bbc5d4e8d4b9119
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "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 0 2 2 4 4 6 7 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600718, "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: 60387cb8a8b84accc111911d949a7839
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1-0.54_0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2-1_0_0_1-0.54_0.08", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1-0.54_0.08", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600718, "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": 26.474841545921205, "binding_energy_gs": 26.482577047394233, "distance": 2.2063142917577956}


unique_id: d7bd398f0c286f35bdd5150949936c4f
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1-0.41_-0.18", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2-1_0_0_1-0.41_-0.18", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1-0.41_-0.18", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600718, "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": 24.214033249648597, "binding_energy_gs": 24.203426160000813, "distance": 2.3319694584211383}


unique_id: 94a4865543ad242db6ef86c72b88eb84
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1-0.41_-0.19", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2-1_0_0_1-0.41_-0.19", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1-0.41_-0.19", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600718, "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": 24.188357296637783, "binding_energy_gs": 24.176729609657652, "distance": 2.328072990906371}


unique_id: aa89b833a9afb3786ae2654d770f15fc
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2--1_0_0_-1--0.56_-0.12", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2--1_0_0_-1--0.56_-0.12", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2--1_0_0_-1--0.56_-0.12", "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": false, "icsd_id": 600718, "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": 24.160941310868907, "binding_energy_gs": 24.17093855908655, "distance": 2.3554633183931877}


unique_id: cf8522d35091b170d74ab8d9ab6b067c
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2--1_0_0_-1--0.57_-0.14", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2--1_0_0_-1--0.57_-0.14", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2--1_0_0_-1--0.57_-0.14", "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": false, "icsd_id": 600718, "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": 24.009398016868804, "binding_energy_gs": 24.020255463854944, "distance": 2.3416017352562086}


unique_id: 738d25cb3bdfb0d6778ea62df70b840d
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1--0.41_0.19", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2-1_0_0_1--0.41_0.19", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1--0.41_0.19", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600718, "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": 23.707138911960747, "binding_energy_gs": 23.69839279232939, "distance": 2.294251130031764}


unique_id: 8d7726647ca903d8fd2579b556efba79
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2--1_0_0_-1--0.46_0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2--1_0_0_-1--0.46_0.08", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2--1_0_0_-1--0.46_0.08", "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": false, "icsd_id": 600718, "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": 23.020485268948857, "binding_energy_gs": 23.018419149940204, "distance": 2.429538573530177}


unique_id: a20389ec67c1827bbccb5f134237d94f
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2-1_0_0_1-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2-1_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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600718, "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": 22.850462914484336, "binding_energy_gs": 22.87377111099262, "distance": 2.4498316900549426}


unique_id: 9026e8b9e6272d540e2f4c116219d265
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2--1_0_0_-1-0.19_0.38", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2--1_0_0_-1-0.19_0.38", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2--1_0_0_-1-0.19_0.38", "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": false, "icsd_id": 600718, "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": 22.579883707687856, "binding_energy_gs": 22.575306440339983, "distance": 2.4768891787546217}


unique_id: 2329d20f38acfe329febd551971872f6
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1--0.11_-0.22", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2-1_0_0_1--0.11_-0.22", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1--0.11_-0.22", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600718, "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": 22.454488921136136, "binding_energy_gs": 22.41507636942548, "distance": 2.4363029457050978}


unique_id: 996585601fb7f15845115b869dac0a6f
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1--0.54_-0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2-1_0_0_1--0.54_-0.08", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1--0.54_-0.08", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600718, "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": 22.31813092077137, "binding_energy_gs": 22.334896918358293, "distance": 2.4768891787546217}


unique_id: e7322df5c8be9cd72913f13d3fa60d31
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2--1_0_0_-1-0.08_0.16", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2--1_0_0_-1-0.08_0.16", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2--1_0_0_-1-0.08_0.16", "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": false, "icsd_id": 600718, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.003, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.226881044301003, "binding_energy_gs": 22.219470225361782, "distance": 2.463360434404784}


unique_id: 51910b058548a45f29c63c316095e4f6
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1--0.24_-0.49", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2-1_0_0_1--0.24_-0.49", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1--0.24_-0.49", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600718, "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": 21.78887012701797, "binding_energy_gs": 21.811450051155983, "distance": 2.5377685283289075}


unique_id: e4464419f635b2cb52addda23b5e337c
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1--0.19_-0.38", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2-1_0_0_1--0.19_-0.38", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1--0.19_-0.38", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600718, "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": 21.125216628794163, "binding_energy_gs": 21.129567442252107, "distance": 2.571590389203511}


unique_id: 3e36f01b5a0ca1790ac8ba612daba3e2
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2--1_0_0_-1--0.05_-0.11", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2--1_0_0_-1--0.05_-0.11", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2--1_0_0_-1--0.05_-0.11", "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": false, "icsd_id": 600718, "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": 20.97832101986797, "binding_energy_gs": 20.95098215437858, "distance": 2.5512972726787524}


unique_id: c3de22daa2c3c95c8b65b3544dcf65c0
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1-0.24_0.49", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2-1_0_0_1-0.24_0.49", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1-0.24_0.49", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600718, "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": 19.455867506762427, "binding_energy_gs": 19.43422881933833, "distance": 2.673055971827317}


unique_id: 997388e12189350e71d696e5abad908f
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1--0.65_-0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2-1_0_0_1--0.65_-0.3", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1--0.65_-0.3", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600718, "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": 19.34816055410544, "binding_energy_gs": 19.360522217646533, "distance": 2.693349088352079}


unique_id: 9e8c177caa93f336b879e208dbe21b13
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2--1_0_0_-1--0.7_-0.41", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2--1_0_0_-1--0.7_-0.41", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2--1_0_0_-1--0.7_-0.41", "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": false, "icsd_id": 600718, "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": 19.338463670282408, "binding_energy_gs": 19.33365028929046, "distance": 2.6527628553025586}


unique_id: c34b06feb6ec147ea95ea21d734212d5
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1--0.3_0.4", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2-1_0_0_1--0.3_0.4", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1--0.3_0.4", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600718, "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": 19.039725449793416, "binding_energy_gs": 19.052640091440292, "distance": 2.706877832701924}


unique_id: 955ad9883f25621eb6652b7b7373a253
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2-1_0_0_1-0_0", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1-0_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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600718, "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": 18.804574743345533, "binding_energy_gs": 18.79777457123262, "distance": 2.7474640657514477}


unique_id: cf111c17740ce3820768b202f9e3aa55
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2--1_0_0_-1-0.03_0.05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2--1_0_0_-1-0.03_0.05", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2--1_0_0_-1-0.03_0.05", "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": false, "icsd_id": 600718, "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": 18.657048720829682, "binding_energy_gs": 18.65475206795975, "distance": 2.767757182276206}


unique_id: b3637822306f3b41a3d79b1db835bae7
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1-0.3_-0.4", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2-1_0_0_1-0.3_-0.4", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1-0.3_-0.4", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600718, "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": 18.313461166363467, "binding_energy_gs": 18.321293732323255, "distance": 2.801579043150806}


unique_id: 48e5c9b6178b2b52624356f4427c8867
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1-0.65_0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2-1_0_0_1-0.65_0.3", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1-0.65_0.3", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600718, "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": 18.185417638807213, "binding_energy_gs": 18.186244406327052, "distance": 2.767757182276206}


unique_id: e08e53f98a54a511cfeccdac5bb57c22
username: jensj
key_value_pairs:
  {"uid": "PdNb2S6-5243b1c90a70-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2S6/PdNb2S6-5243b1c90a70/Nb2PdS6-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2S6-5243b1c90a70", "bilayer_uid": "PdNb2S6-5243b1c90a70-2-1_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": false, "icsd_id": 600718, "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": 17.658520177257852, "binding_energy_gs": 17.66161222593402, "distance": 2.8083429432118514}


unique_id: c7a7018ebfdacc392dfbcb481c564197
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "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 0 2 2 4 4 6 7 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600719, "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: bb09f60acf60e9d9625410fafe594f1b
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1-0.54_0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2-1_0_0_1-0.54_0.08", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1-0.54_0.08", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600719, "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": 28.53365188747023, "binding_energy_gs": 28.519739279313082, "distance": 2.2667589188479518}


unique_id: e87f8edce27e89b9af3eb4837a420703
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1-0.4_-0.19", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2-1_0_0_1-0.4_-0.19", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1-0.4_-0.19", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600719, "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": 26.366851840014313, "binding_energy_gs": 26.32815607729121, "distance": 2.364374671746237}


unique_id: 5545fb8c3e849c87e83c549857592b8f
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2--1_0_0_-1--0.56_-0.13", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2--1_0_0_-1--0.56_-0.13", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2--1_0_0_-1--0.56_-0.13", "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": false, "icsd_id": 600719, "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": 26.19435690018598, "binding_energy_gs": 26.161693374464676, "distance": 2.4172951439217414}


unique_id: 26859e7a520372668d78048057230983
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2--1_0_0_-1--0.57_-0.14", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2--1_0_0_-1--0.57_-0.14", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2--1_0_0_-1--0.57_-0.14", "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": false, "icsd_id": 600719, "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": 26.117046439206266, "binding_energy_gs": 26.085837012443477, "distance": 2.4131825481953832}


unique_id: b4824f3d1b9c10521844b2a0f2837aab
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2--1_0_0_-1--0.46_0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2--1_0_0_-1--0.46_0.08", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2--1_0_0_-1--0.46_0.08", "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": false, "icsd_id": 600719, "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": 25.365081465151565, "binding_energy_gs": 25.35203633097401, "distance": 2.468962978422976}


unique_id: ff20f15420f150c5797db4941e4fa074
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2-1_0_0_1-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2-1_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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600719, "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": 24.963557314379646, "binding_energy_gs": 24.972569886134416, "distance": 2.4829080859798722}


unique_id: f05922cf7daafc1ae6edbd469f3ee666
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1--0.4_0.19", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2-1_0_0_1--0.4_0.19", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1--0.4_0.19", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600719, "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": 24.91638177409033, "binding_energy_gs": 24.928475343583177, "distance": 2.4201551019738297}


unique_id: a147cfdc1e8b46cdfd477f1bee2f11f5
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2--1_0_0_-1-0.19_0.38", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2--1_0_0_-1-0.19_0.38", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2--1_0_0_-1-0.19_0.38", "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": false, "icsd_id": 600719, "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": 24.758315264345065, "binding_energy_gs": 24.723877759511748, "distance": 2.5177708548721185}


unique_id: 14e0db901b819f416ba4784eab82290c
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2--1_0_0_-1-0.08_0.16", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2--1_0_0_-1-0.08_0.16", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2--1_0_0_-1-0.08_0.16", "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": false, "icsd_id": 600719, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.003, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 24.656185541991935, "binding_energy_gs": 24.638011968765383, "distance": 2.496853193536772}


unique_id: c2bf7943eb304ebe4670c72a5c4245a8
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1--0.16_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2-1_0_0_1--0.16_-0.33", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1--0.16_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 1 0 3 2 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600719, "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": 24.411368925493623, "binding_energy_gs": 24.34152789599309, "distance": 2.5317159624290184}


unique_id: 5f29061d2286e74c1bb236c5d05e0a31
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1--0.11_-0.22", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2-1_0_0_1--0.11_-0.22", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1--0.11_-0.22", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600719, "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": 24.152116978461844, "binding_energy_gs": 24.075723779922942, "distance": 2.5107983010936685}


unique_id: 68c7aaa76be7239a2be7e18313de7bba
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1--0.54_-0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2-1_0_0_1--0.54_-0.08", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1--0.54_-0.08", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600719, "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": 24.062735959357394, "binding_energy_gs": 24.0472482271699, "distance": 2.5386885162074684}


unique_id: 14ff2ce352b037852def00ed8df44321
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1--0.25_-0.49", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2-1_0_0_1--0.25_-0.49", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1--0.25_-0.49", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600719, "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": 23.860215750034573, "binding_energy_gs": 23.84371929560615, "distance": 2.594468946435061}


unique_id: 79ddbd590d928e7dd54919683060fedf
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1-0.79_0.57", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2-1_0_0_1-0.79_0.57", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1-0.79_0.57", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600719, "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": 23.679667571775763, "binding_energy_gs": 23.637101726041898, "distance": 2.6153866077704073}


unique_id: f5f5dae90783470a3c8265933726ebbf
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2--1_0_0_-1--0.05_-0.11", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2--1_0_0_-1--0.05_-0.11", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2--1_0_0_-1--0.05_-0.11", "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": false, "icsd_id": 600719, "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": 22.986621637547703, "binding_energy_gs": 22.920587013162088, "distance": 2.587496392656611}


unique_id: 9160faf57dc47d112b62e8572c333cfc
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1--0.65_-0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2-1_0_0_1--0.65_-0.3", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1--0.65_-0.3", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600719, "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": 22.072649590258326, "binding_energy_gs": 22.0416379004903, "distance": 2.671167037998}


unique_id: e7616ebae063d66300a02c9b0e84ebca
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1-0.25_0.49", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2-1_0_0_1-0.25_0.49", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1-0.25_0.49", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600719, "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": 21.842553159657577, "binding_energy_gs": 21.78390033175836, "distance": 2.6920846993333463}


unique_id: c156af70ccd149f55afcc74ea69c6641
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2--1_0_0_-1--0.95_-0.9", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2--1_0_0_-1--0.95_-0.9", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2--1_0_0_-1--0.95_-0.9", "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": false, "icsd_id": 600719, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.003, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.64833868705743, "binding_energy_gs": 21.64897465214918, "distance": 2.706029806890246}


unique_id: e96aebffda6282b0b815ced5294bd9c0
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1--0.29_0.41", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2-1_0_0_1--0.29_0.41", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1--0.29_0.41", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600719, "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": 21.56846395747444, "binding_energy_gs": 21.545166195429655, "distance": 2.706029806890246}


unique_id: f636518e7b5f9022462fa86dc9325049
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2--1_0_0_-1--0.7_-0.41", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2--1_0_0_-1--0.7_-0.41", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2--1_0_0_-1--0.7_-0.41", "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": false, "icsd_id": 600719, "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": 21.166265147512345, "binding_energy_gs": 21.135213856050104, "distance": 2.6920846993333463}


unique_id: b5967bb29a10d87d7f779700312b7216
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1-0.29_-0.41", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2-1_0_0_1-0.29_-0.41", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1-0.29_-0.41", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600719, "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": 20.738200984845058, "binding_energy_gs": 20.67425181059298, "distance": 2.803645559788528}


unique_id: e53657424a087703bb1c4ca4bfdc80fd
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2--1_0_0_-1-0.67_0.35", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2--1_0_0_-1-0.67_0.35", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2--1_0_0_-1-0.67_0.35", "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": false, "icsd_id": 600719, "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": 20.298375498604162, "binding_energy_gs": 20.29001818926443, "distance": 2.8245632211238743}


unique_id: 49d767189c943fdb1b4789d4e4e4a4a7
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2-1_0_0_1-0_0", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1-0_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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600719, "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": 20.043668964654113, "binding_energy_gs": 20.040137574899028, "distance": 2.8245632211238743}


unique_id: 53258d8410f2b8497e4b9922af4da36d
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1-0.65_0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2-1_0_0_1-0.65_0.3", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1-0.65_0.3", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600719, "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": 19.920108813396556, "binding_energy_gs": 19.926014372212325, "distance": 2.817590667345428}


unique_id: 1d8d1ca8c32356724f4dd44dac33e6a6
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1--0.79_-0.57", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2-1_0_0_1--0.79_-0.57", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1--0.79_-0.57", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 600719, "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": 19.614784923010344, "binding_energy_gs": 19.579535454099023, "distance": 2.8733710975730204}


unique_id: 21e9a37b36b4b83714223df8bebe38b1
username: jensj
key_value_pairs:
  {"uid": "PdNb2Se6-2c7db27c6af6-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdNb2Se6/PdNb2Se6-2c7db27c6af6/Nb2PdSe6-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "PdNb2Se6-2c7db27c6af6", "bilayer_uid": "PdNb2Se6-2c7db27c6af6-2-1_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": false, "icsd_id": 600719, "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": 19.4050601839758, "binding_energy_gs": 19.37835215231038, "distance": 2.845480426502874}


unique_id: bd4f860637777ec2f5c0d719539fe8b9
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "PdTa2S6-5502f078e4cb", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2S6/PdTa2S6-5502f078e4cb", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2S6-5502f078e4cb", "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 2 3 4 0 2 3 4]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 4344384, "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: 820d26912ce31bd8d60fa34336151edf
username: jensj
key_value_pairs:
  {"uid": "PdTa2S6-5502f078e4cb-2-1_0_0_1--0.44_0.12", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2S6/PdTa2S6-5502f078e4cb/PdS6Ta2-2-1_0_0_1--0.44_0.12", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2S6-5502f078e4cb", "bilayer_uid": "PdTa2S6-5502f078e4cb-2-1_0_0_1--0.44_0.12", "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 5 1 6 7 8 0 2 3 4]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 4344384, "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": 7970.643691018848, "binding_energy_gs": 26.245720324467804, "distance": 2.263992749530953}


unique_id: cb168ce3ff3ed408027c3cccc2cc8617
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "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 0 2 2 4 4 6 7 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 61005, "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: 9fdd5ede194a354754bfc2255fdb6714
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1-0.54_0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2-1_0_0_1-0.54_0.08", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1-0.54_0.08", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 61005, "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": 27.43742678592401, "binding_energy_gs": 27.39607489130239, "distance": 2.334292324335429}


unique_id: 78e206787b32b1d926712cdd3aa5868f
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1-0.41_-0.19", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2-1_0_0_1-0.41_-0.19", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1-0.41_-0.19", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 61005, "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": 25.17838784573226, "binding_energy_gs": 25.112195359049966, "distance": 2.459573625019406}


unique_id: 179dd4a1ea65e5b48e40507825bdaf08
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2--1_0_0_-1--0.57_-0.13", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2--1_0_0_-1--0.57_-0.13", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2--1_0_0_-1--0.57_-0.13", "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": false, "icsd_id": 61005, "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": 25.17131692636515, "binding_energy_gs": 25.11987303774847, "distance": 2.4734937695398465}


unique_id: 75f50c53b61b7ac7af349b596a928d68
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2--1_0_0_-1--0.46_0.09", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2--1_0_0_-1--0.46_0.09", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2--1_0_0_-1--0.46_0.09", "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": false, "icsd_id": 61005, "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": 24.402001349932863, "binding_energy_gs": 24.381538309363123, "distance": 2.536134419881833}


unique_id: 65098075a67439d5c263aa2321fb5d3c
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2-1_0_0_1-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2-1_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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 61005, "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": 24.157019927552547, "binding_energy_gs": 24.142926154061435, "distance": 2.5500545644022736}


unique_id: b17c858fa1c73591f15cbfde1d70bb79
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1--0.41_0.19", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2-1_0_0_1--0.41_0.19", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1--0.41_0.19", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 61005, "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": 24.141710638735614, "binding_energy_gs": 24.086489232056472, "distance": 2.4734937695398465}


unique_id: 31b2f665b4ab72e943128bab88742898
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2--1_0_0_-1-0.19_0.38", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2--1_0_0_-1-0.19_0.38", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2--1_0_0_-1-0.19_0.38", "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": false, "icsd_id": 61005, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.003, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 23.847293300056243, "binding_energy_gs": 23.798045062457895, "distance": 2.598775070223823}


unique_id: 2502f4ec397675f43330f1a260b904ef
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2--1_0_0_-1-0.08_0.17", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2--1_0_0_-1-0.08_0.17", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2--1_0_0_-1-0.08_0.17", "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": false, "icsd_id": 61005, "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": false, "slide_stability": "-", "binding_energy_zscan": 23.62921493939305, "binding_energy_gs": 23.59611542910542, "distance": 2.570934781182938}


unique_id: cd6c395891ed2d2bc7e01a110bee9ad5
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1--0.11_-0.22", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2-1_0_0_1--0.11_-0.22", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1--0.11_-0.22", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 61005, "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": 23.49465657278968, "binding_energy_gs": 23.410606103275686, "distance": 2.584854925703379}


unique_id: 27aed53bea39d29ddc06380580553b4b
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1--0.54_-0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2-1_0_0_1--0.54_-0.08", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1--0.54_-0.08", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 61005, "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": 23.334668536232222, "binding_energy_gs": 23.313159090567485, "distance": 2.6057351424840434}


unique_id: 276cbb9949361d063023d73828737e42
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1--0.24_-0.49", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2-1_0_0_1--0.24_-0.49", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1--0.24_-0.49", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 61005, "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": 23.15321199702975, "binding_energy_gs": 23.108627044645395, "distance": 2.6544556483055857}


unique_id: 33a790c1bd095b95a34a7609e7e86bf2
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1--0.19_-0.37", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2-1_0_0_1--0.19_-0.37", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1--0.19_-0.37", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 61005, "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": 22.88254898726964, "binding_energy_gs": 22.79815921795718, "distance": 2.6683757928260263}


unique_id: 2b2cde97a62ae99db7e4b31e89291aca
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2--1_0_0_-1--0.05_-0.1", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2--1_0_0_-1--0.05_-0.1", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2--1_0_0_-1--0.05_-0.1", "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": false, "icsd_id": 61005, "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": 22.197699857838156, "binding_energy_gs": 22.12479982455457, "distance": 2.661415720565806}


unique_id: ae4b95956e3102829f0e74c4680cf793
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1-0.24_0.49", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2-1_0_0_1-0.24_0.49", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1-0.24_0.49", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 61005, "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": 20.960983356198106, "binding_energy_gs": 20.886131814286564, "distance": 2.772776876729342}


unique_id: d633500ec312607ff8f649fdc385774c
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1--0.65_-0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2-1_0_0_1--0.65_-0.3", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1--0.65_-0.3", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 61005, "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": 20.954582281178766, "binding_energy_gs": 20.892088870369793, "distance": 2.7658168044691216}


unique_id: 8d3d025b78cab68db782c70b89c9a7c2
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1--0.3_0.41", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2-1_0_0_1--0.3_0.41", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1--0.3_0.41", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 61005, "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": 20.82886449279727, "binding_energy_gs": 20.77467924092539, "distance": 2.7797369489895623}


unique_id: b518e61c80de8bc79662475af37dca8e
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2--1_0_0_-1--0.7_-0.4", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2--1_0_0_-1--0.7_-0.4", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2--1_0_0_-1--0.7_-0.4", "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": false, "icsd_id": 61005, "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": 20.643116956732637, "binding_energy_gs": 20.57374291579863, "distance": 2.7518966599486774}


unique_id: 4397e2905b96631f98f6812ee77115b9
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2-1_0_0_1-0_0", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1-0_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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 61005, "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": 19.899836810156938, "binding_energy_gs": 19.87016513635834, "distance": 2.8632578161122098}


unique_id: c7f16820c1f341a5eb7d3cc7b3b1c157
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1-0.3_-0.41", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2-1_0_0_1-0.3_-0.41", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1-0.3_-0.41", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 61005, "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": 19.78442514046655, "binding_energy_gs": 19.7089121923798, "distance": 2.898058177413315}


unique_id: 364187265db3715a063b1d738230692a
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2--1_0_0_-1-0.03_0.05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2--1_0_0_-1-0.03_0.05", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2--1_0_0_-1-0.03_0.05", "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": false, "icsd_id": 61005, "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": 19.734220018098796, "binding_energy_gs": 19.72171532423277, "distance": 2.8841380328928743}


unique_id: 722c607280d2941e40b4041a035eeeb8
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1-0.65_0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2-1_0_0_1-0.65_0.3", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1-0.65_0.3", "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 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": false, "icsd_id": 61005, "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": 19.517388501535507, "binding_energy_gs": 19.48374262076416, "distance": 2.8702178883724336}


unique_id: 26313a0d83376a74d8dcde37ed922472
username: jensj
key_value_pairs:
  {"uid": "PdTa2Se6-bf1872bc70d9-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB2C6/PdTa2Se6/PdTa2Se6-bf1872bc70d9/PdSe6Ta2-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "PdTa2Se6-bf1872bc70d9", "bilayer_uid": "PdTa2Se6-bf1872bc70d9-2-1_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": false, "icsd_id": 61005, "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": 18.985465042627176, "binding_energy_gs": 18.91722446932585, "distance": 2.9050184867091673}


unique_id: 5e3dfccfb74e103ed263a4bedcf4e664
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 1 1 3 3 3 3 3 3]", "has_inversion_symmetry": true, "magnetic": true, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 0.566, "gap_pbe_dir": 0.606, "gap_pbe_nosoc": 0.642, "gap_pbe_dir_nosoc": 0.673, "dipz": -0.0}


unique_id: bfc514eda60c91350cdcb74f8816c5eb
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1-0.67_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2-1_0_0_1-0.67_0.33", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1-0.67_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 2 1 6 6 6 3 3 3]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.604, "gap_pbe_dir": 0.604, "gap_pbe_nosoc": 0.621, "gap_pbe_dir_nosoc": 0.657, "dipz": -0.0, "interlayer_magnetic_exchange": 0.006361976176016526, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 13.89552706486212, "binding_energy_gs": 13.42987811317551, "distance": 3.0250000000000075}


unique_id: 134092ccd1d5f64dbbc68635e054b49c
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2--1_1_0_1-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2--1_1_0_1-Iz-0.29_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2--1_1_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 2 1 3 5 4 6 8 7]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 13.088920528716304, "binding_energy_gs": 12.623166712334216, "distance": 3.1231721248695337}


unique_id: 26dbe5ff0222c157b9d1e63c179b4b88
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.23_0.91", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2--1_0_0_-1-0.23_0.91", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.23_0.91", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  1  3  4  4  6  7  7  9 10 10 12 13 13 15 16 16]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.577, "gap_pbe_dir": 0.578, "gap_pbe_nosoc": 0.598, "gap_pbe_dir_nosoc": 0.638, "dipz": -0.001, "interlayer_magnetic_exchange": 0.0069966889062769155, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 13.088486711289294, "binding_energy_gs": 12.661175724701886, "distance": 3.1188125000000113}


unique_id: 638b64fe728b160ec46a3a414ec09799
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.58_-0.09", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2--1_0_0_-1-0.58_-0.09", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.58_-0.09", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  1  3  4  4  6  7  7  9 10 10 12 13 13 15 16 16]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.578, "gap_pbe_dir": 0.579, "gap_pbe_nosoc": 0.599, "gap_pbe_dir_nosoc": 0.638, "dipz": 0.001, "interlayer_magnetic_exchange": 0.006927515849284305, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 13.088139284409959, "binding_energy_gs": 12.660854683440988, "distance": 3.1212812500000098}


unique_id: 16946230bd0d6600ce2d32804ca6ce8b
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1-Iz-1.0_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2-1_0_0_1-Iz-1.0_0.68", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1-Iz-1.0_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  1  3  3  5  6  6  8  9 10 10 12 12 14 15 15 17]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.577, "gap_pbe_dir": 0.579, "gap_pbe_nosoc": 0.599, "gap_pbe_dir_nosoc": 0.639, "dipz": 0.001, "interlayer_magnetic_exchange": 0.006899100319202489, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 13.086876454804687, "binding_energy_gs": 12.659556508579527, "distance": 3.121937749869538}


unique_id: 4ec87bb947bee74283653a2ad118e889
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.59_0.91", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2--1_0_0_-1-0.59_0.91", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.59_0.91", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  1  3  4  4  6  7  7  9 10 10 12 13 13 15 16 16]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 13.085338434660367, "binding_energy_gs": 12.657982441711926, "distance": 3.12375000000001}


unique_id: 3635310489d6093b5aa667e0830a3271
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.9_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2--1_0_0_-1-0.9_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.9_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  1  3  3  5  6  6  8  9 10 10 12 12 14 15 15 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 13.0844722192551, "binding_energy_gs": 12.657201605714606, "distance": 3.1225156250000126}


unique_id: f05ceb9a1952e4e6fab74b165fd8870d
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1-0.68_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2-1_0_0_1-0.68_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1-0.68_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 1 3 4 4 6 7 7 0 1 1 6 7 7 3 4 4]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.58, "gap_pbe_dir": 0.581, "gap_pbe_nosoc": 0.599, "gap_pbe_dir_nosoc": 0.638, "dipz": -0.0, "interlayer_magnetic_exchange": 0.008198312354473103, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 12.958944740222128, "binding_energy_gs": 12.53154707636693, "distance": 3.142265625000009}


unique_id: e2d45d369bce8e825c67f275f8850b4c
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1--0.33_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2-1_0_0_1--0.33_-0.01", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1--0.33_-0.01", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 1 3 4 4 6 7 7 0 1 1 6 7 7 3 4 4]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 12.954871992645234, "binding_energy_gs": 12.527812743035796, "distance": 3.142265625000009}


unique_id: 217be88ee0994c7a9afb67659fb0ea56
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.62_0.91", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2--1_0_0_-1-0.62_0.91", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.62_0.91", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  1  3  4  4  6  7  7  9 10 10 12 13 13 15 16 16]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 12.954500747891098, "binding_energy_gs": 12.48887325099669, "distance": 3.14350000000001}


unique_id: 9f0342f78404ea34a80eed0178769e78
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-Iz-0.91_0.59", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2--1_0_0_-1-Iz-0.91_0.59", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-Iz-0.91_0.59", "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 1 3 3 5 6 6 8 0 1 1 3 3 5 6 6 8]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 12.948999020365777, "binding_energy_gs": 12.520816679269556, "distance": 3.144156499869535}


unique_id: e350a9c73c4088589de99ab3fa171e50
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1-0.71_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2-1_0_0_1-0.71_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1-0.71_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 1 3 4 4 6 7 7 0 1 1 6 7 7 3 4 4]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 12.865070046324801, "binding_energy_gs": 12.399440393291222, "distance": 3.1632500000000086}


unique_id: 713359ab6e7aa0e32edb3a5fda5fbbbe
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.33_0.91", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2--1_0_0_-1-0.33_0.91", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.33_0.91", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  1  3  4  4  6  7  7  9 10 10 12 13 13 15 16 16]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 12.448051303004236, "binding_energy_gs": 11.98241933267173, "distance": 3.202750000000009}


unique_id: 1fca5b9dd4c1da850d53efaceba34fc0
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-Iz-0.59_0.05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2--1_0_0_-1-Iz-0.59_0.05", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-Iz-0.59_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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 12.434463938792884, "binding_energy_gs": 12.0072313801115, "distance": 3.2157502498695347}


unique_id: 84a2b68c915a1c66b8e53a9181dc46fb
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2--1_0_0_-1-0.79_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 12.426358800788638, "binding_energy_gs": 11.96069505822628, "distance": 3.21262500000001}


unique_id: 659c0e37beb12679b4e0ec331f01a7c1
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2-1_0_0_1-0_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 1 1 3 3 3 6 6 6 0 1 1 6 6 6 3 3 3]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.592, "gap_pbe_dir": 0.593, "gap_pbe_nosoc": 0.609, "gap_pbe_dir_nosoc": 0.645, "dipz": -0.0, "interlayer_magnetic_exchange": 0.011015910390241856, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 12.135781953276433, "binding_energy_gs": 11.670500685613412, "distance": 3.222500000000009}


unique_id: 7fc8b524cc37f2607fc415d68dc938e6
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1--0.42_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2-1_0_0_1--0.42_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1--0.42_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 1 3 4 4 6 7 7 0 1 1 6 7 7 3 4 4]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 11.783756023889707, "binding_energy_gs": 11.31811071699854, "distance": 3.2817500000000077}


unique_id: b543d1d0fab7ca5b6f4827cf4b47cb28
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2--1_0_0_-1-Iz-0.79_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 11.50782584965033, "binding_energy_gs": 11.042014600899334, "distance": 3.340422124869532}


unique_id: f53bd640e520b16533039ce20ac06bc2
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 11.39200275943973, "binding_energy_gs": 10.926646655872064, "distance": 3.350297124869533}


unique_id: 9afcd532dce3ab297fa8070919f65f15
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2--1_0_0_-1-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 11.369846510471268, "binding_energy_gs": 10.904658659556606, "distance": 3.3607500000000083}


unique_id: d979f41e637a7785204a6518c684f5ba
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2-1_0_0_1-Iz-0.79_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 3 5 4 6 8 7]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 11.33333081665068, "binding_energy_gs": 10.867698979183473, "distance": 3.3601721248695355}


unique_id: b6bba581bc95607a4d2227f3dd499eeb
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2-1_0_0_1-0.79_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 11.149067088862331, "binding_energy_gs": 10.683250847978492, "distance": 3.410125000000008}


unique_id: 636a39312f96d2bb1ecd8a876b87ced6
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2--1_1_0_1-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2--1_1_0_1-0.29_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2--1_1_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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.825577235562147, "binding_energy_gs": 9.360027879854469, "distance": 3.627375000000006}


unique_id: 1f4a1827d4005bd12daef516b9585214
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.24_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2--1_0_0_-1-0.24_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.24_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 1 2 6 6 6 3 3 3]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.511466321197899, "binding_energy_gs": 9.045424726443422, "distance": 3.676750000000009}


unique_id: 878f8493066453b1e0aea21e8179dfcc
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1-0.42_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2-1_0_0_1-0.42_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1-0.42_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 1 3 4 4 6 7 7 0 1 1 6 7 7 3 4 4]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.500925761145988, "binding_energy_gs": 9.035286574699855, "distance": 3.676750000000009}


unique_id: 7a379deee0a9216f924f2f65978a71b0
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1-0.29_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2-1_0_0_1-0.29_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2-1_0_0_1-0.29_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 1 3 4 4 6 7 7 0 1 1 6 7 7 3 4 4]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.298856458880401, "binding_energy_gs": 8.833398685055707, "distance": 3.7162500000000076}


unique_id: a79147b9aef589b76c37b52fd2c346d7
username: jensj
key_value_pairs:
  {"uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.91_0.91", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Br6/ReAg2Br6-832b3b1525d2/Ag2Br6Re-2--1_0_0_-1-0.91_0.91", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Br6-832b3b1525d2", "bilayer_uid": "ReAg2Br6-832b3b1525d2-2--1_0_0_-1-0.91_0.91", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 79, "layer_group": "p-62m", "space_group_number": 189, "space_group": "P-62m", "equivalent_atoms": "[0 1 1 3 3 3 6 6 6 0 1 1 6 6 6 3 3 3]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 8.789181306219275, "binding_energy_gs": 8.323557155034653, "distance": 3.7952500000000047}


unique_id: 5cdf55dca1474ec18b2a0db04c7f84c0
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2Cl6-63c4affdd5b9", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Cl6/ReAg2Cl6-63c4affdd5b9", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Cl6-63c4affdd5b9", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 1 1 3 3 3 3 3 3]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 4508861, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 0.788, "gap_pbe_dir": 0.79, "gap_pbe_nosoc": 0.819, "gap_pbe_dir_nosoc": 0.846, "dipz": -0.0}


unique_id: 4d516a78363eb430a19d4a75fc666153
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2Cl6-63c4affdd5b9-2-1_0_0_1-0.67_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Cl6/ReAg2Cl6-63c4affdd5b9/Ag2Cl6Re-2-1_0_0_1-0.67_0.33", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Cl6-63c4affdd5b9", "bilayer_uid": "ReAg2Cl6-63c4affdd5b9-2-1_0_0_1-0.67_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 2 1 6 6 6 3 3 3]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 4508861, "gap_pbe": 0.777, "gap_pbe_dir": 0.779, "gap_pbe_nosoc": 0.803, "gap_pbe_dir_nosoc": 0.834, "dipz": -0.0, "interlayer_magnetic_exchange": 0.004205984771502358, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 12.70965548895157, "binding_energy_gs": 12.41314094505439, "distance": 2.8571250000000106}


unique_id: cca241e6811a7dda3dded57369c935df
username: jensj
key_value_pairs:
  {"uid": "ReAg2Cl6-63c4affdd5b9-2--1_0_0_-1-0.71_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Cl6/ReAg2Cl6-63c4affdd5b9/Ag2Cl6Re-2--1_0_0_-1-0.71_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Cl6-63c4affdd5b9", "bilayer_uid": "ReAg2Cl6-63c4affdd5b9-2--1_0_0_-1-0.71_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  1  3  4  4  6  7  7  9 10 10 12 13 13 15 16 16]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 4508861, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 11.68346315969331, "binding_energy_gs": 11.386915067891122, "distance": 2.99537500000001}


unique_id: 103fb58f3e27a33788e69dbf56dc4e97
username: jensj
key_value_pairs:
  {"uid": "ReAg2Cl6-63c4affdd5b9-2-1_0_0_1-0.71_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Cl6/ReAg2Cl6-63c4affdd5b9/Ag2Cl6Re-2-1_0_0_1-0.71_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Cl6-63c4affdd5b9", "bilayer_uid": "ReAg2Cl6-63c4affdd5b9-2-1_0_0_1-0.71_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 1 3 4 4 6 7 7 0 1 1 6 7 7 3 4 4]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 4508861, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 11.617284694390936, "binding_energy_gs": 11.320743215122816, "distance": 3.005250000000009}


unique_id: fbb496e4fc06f091ff6da00fff4a30f1
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2Cl6-63c4affdd5b9-2--1_0_0_-1-1.0_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Cl6/ReAg2Cl6-63c4affdd5b9/Ag2Cl6Re-2--1_0_0_-1-1.0_0.68", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Cl6-63c4affdd5b9", "bilayer_uid": "ReAg2Cl6-63c4affdd5b9-2--1_0_0_-1-1.0_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  1  3  3  5  6  6  8  9 10 10 12 12 14 15 15 17]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 4508861, "gap_pbe": 0.761, "gap_pbe_dir": 0.765, "gap_pbe_nosoc": 0.79, "gap_pbe_dir_nosoc": 0.817, "dipz": -0.002, "interlayer_magnetic_exchange": 0.0039509081374546895, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 11.479445956682463, "binding_energy_gs": 11.613408836257832, "distance": 2.963281250000012}


unique_id: 6cbd75e34247cc6300577100c835bab7
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2Cl6-63c4affdd5b9-2--1_0_0_-1-0.68_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Cl6/ReAg2Cl6-63c4affdd5b9/Ag2Cl6Re-2--1_0_0_-1-0.68_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Cl6-63c4affdd5b9", "bilayer_uid": "ReAg2Cl6-63c4affdd5b9-2--1_0_0_-1-0.68_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  1  3  4  4  6  7  7  9 10 10 12 13 13 15 16 16]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 4508861, "gap_pbe": 0.764, "gap_pbe_dir": 0.765, "gap_pbe_nosoc": 0.786, "gap_pbe_dir_nosoc": 0.816, "dipz": -0.002, "interlayer_magnetic_exchange": 0.0038928791982328903, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 11.459321647598644, "binding_energy_gs": 11.59359068383824, "distance": 2.9657500000000105}


unique_id: b709f841a3e5a38dbd8c82039cb32f20
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2Cl6-63c4affdd5b9-2--1_0_0_-1-0.32_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Cl6/ReAg2Cl6-63c4affdd5b9/Ag2Cl6Re-2--1_0_0_-1-0.32_-1.0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Cl6-63c4affdd5b9", "bilayer_uid": "ReAg2Cl6-63c4affdd5b9-2--1_0_0_-1-0.32_-1.0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  1  3  4  4  6  7  7  9 10 10 12 13 13 15 16 16]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 4508861, "gap_pbe": 0.764, "gap_pbe_dir": 0.765, "gap_pbe_nosoc": 0.786, "gap_pbe_dir_nosoc": 0.816, "dipz": 0.001, "interlayer_magnetic_exchange": 0.003870846381957449, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 11.459053135484362, "binding_energy_gs": 11.593256798635622, "distance": 2.9657500000000105}


unique_id: 7a9f7e559d3b0f21a78e3354ebdc6267
username: jensj
key_value_pairs:
  {"uid": "ReAg2Cl6-63c4affdd5b9-2--1_0_0_-1-0.43_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Cl6/ReAg2Cl6-63c4affdd5b9/Ag2Cl6Re-2--1_0_0_-1-0.43_-1.0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Cl6-63c4affdd5b9", "bilayer_uid": "ReAg2Cl6-63c4affdd5b9-2--1_0_0_-1-0.43_-1.0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  1  3  4  4  6  7  7  9 10 10 12 13 13 15 16 16]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 4508861, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 11.33565799538043, "binding_energy_gs": 11.03912021813044, "distance": 3.0447500000000094}


unique_id: 330c950b7e0bd605eff87998c1a2e320
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2Cl6-63c4affdd5b9-2-1_0_0_1-0.68_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Cl6/ReAg2Cl6-63c4affdd5b9/Ag2Cl6Re-2-1_0_0_1-0.68_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Cl6-63c4affdd5b9", "bilayer_uid": "ReAg2Cl6-63c4affdd5b9-2-1_0_0_1-0.68_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 1 3 4 4 6 7 7 0 1 1 6 7 7 3 4 4]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 4508861, "gap_pbe": 0.774, "gap_pbe_dir": 0.774, "gap_pbe_nosoc": 0.797, "gap_pbe_dir_nosoc": 0.827, "dipz": -0.0, "interlayer_magnetic_exchange": 0.004947862886751864, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 11.325088562409272, "binding_energy_gs": 11.459171498689102, "distance": 2.9929062500000114}


unique_id: 3beff693d8da35485f2e40a8beefecb4
username: jensj
key_value_pairs:
  {"uid": "ReAg2Cl6-63c4affdd5b9-2-1_0_0_1--0.33_0.99", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Cl6/ReAg2Cl6-63c4affdd5b9/Ag2Cl6Re-2-1_0_0_1--0.33_0.99", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Cl6-63c4affdd5b9", "bilayer_uid": "ReAg2Cl6-63c4affdd5b9-2-1_0_0_1--0.33_0.99", "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 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 4508861, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 11.315800255688735, "binding_energy_gs": 11.449642126638226, "distance": 2.9929062500000114}


unique_id: 589bc22825b91d247e1b3f4fe888580a
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2Cl6-63c4affdd5b9-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Cl6/ReAg2Cl6-63c4affdd5b9/Ag2Cl6Re-2-1_0_0_1-0_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Cl6-63c4affdd5b9", "bilayer_uid": "ReAg2Cl6-63c4affdd5b9-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 1 1 3 3 3 6 6 6 0 1 1 6 6 6 3 3 3]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 4508861, "gap_pbe": 0.771, "gap_pbe_dir": 0.774, "gap_pbe_nosoc": 0.797, "gap_pbe_dir_nosoc": 0.827, "dipz": -0.0, "interlayer_magnetic_exchange": 0.006256634809830075, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 10.907483982891568, "binding_energy_gs": 10.6108897959115, "distance": 3.0842500000000097}


unique_id: bbb628dc4c62e33f7ae8aa1c4492ebb4
username: jensj
key_value_pairs:
  {"uid": "ReAg2Cl6-63c4affdd5b9-2-1_0_0_1--0.43_1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Cl6/ReAg2Cl6-63c4affdd5b9/Ag2Cl6Re-2-1_0_0_1--0.43_1.0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Cl6-63c4affdd5b9", "bilayer_uid": "ReAg2Cl6-63c4affdd5b9-2-1_0_0_1--0.43_1.0", "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 1 3 4 4 6 7 7 0 1 1 6 7 7 3 4 4]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 4508861, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 10.537553607822867, "binding_energy_gs": 10.241012635855597, "distance": 3.1632500000000086}


unique_id: e6785949fd6c3e2ae2b129a39f458653
username: jensj
key_value_pairs:
  {"uid": "ReAg2Cl6-63c4affdd5b9-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Cl6/ReAg2Cl6-63c4affdd5b9/Ag2Cl6Re-2--1_0_0_-1-0.79_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Cl6-63c4affdd5b9", "bilayer_uid": "ReAg2Cl6-63c4affdd5b9-2--1_0_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 6 8 7 3 5 4]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 4508861, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 10.388226976912028, "binding_energy_gs": 10.091700422457102, "distance": 3.202750000000007}


unique_id: b5f20a1625ce10bf217162f6b3fa8425
username: jensj
key_value_pairs:
  {"uid": "ReAg2Cl6-63c4affdd5b9-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Cl6/ReAg2Cl6-63c4affdd5b9/Ag2Cl6Re-2-1_0_0_1-0.79_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Cl6-63c4affdd5b9", "bilayer_uid": "ReAg2Cl6-63c4affdd5b9-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 4508861, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 10.285776336584032, "binding_energy_gs": 9.989203096847595, "distance": 3.222500000000011}


unique_id: 618aaf72080232e9207e012f546cb04f
username: jensj
key_value_pairs:
  {"uid": "ReAg2Cl6-63c4affdd5b9-2-1_0_0_1-0.43_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Cl6/ReAg2Cl6-63c4affdd5b9/Ag2Cl6Re-2-1_0_0_1-0.43_-1.0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Cl6-63c4affdd5b9", "bilayer_uid": "ReAg2Cl6-63c4affdd5b9-2-1_0_0_1-0.43_-1.0", "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 1 3 4 4 6 7 7 0 1 1 6 7 7 3 4 4]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 4508861, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 8.851225856910247, "binding_energy_gs": 8.554676634964784, "distance": 3.449625000000008}


unique_id: 873400abfd1a091c28685679496d9018
username: jensj
key_value_pairs:
  {"uid": "ReAg2Cl6-63c4affdd5b9-2--1_0_0_-1-0.33_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Cl6/ReAg2Cl6-63c4affdd5b9/Ag2Cl6Re-2--1_0_0_-1-0.33_0.67", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Cl6-63c4affdd5b9", "bilayer_uid": "ReAg2Cl6-63c4affdd5b9-2--1_0_0_-1-0.33_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 1 2 6 6 6 3 3 3]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 4508861, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 8.789914028908184, "binding_energy_gs": 8.493373349520775, "distance": 3.4693750000000083}


unique_id: 1c2aab0525fe8a682de4d4b2f8c967bb
username: jensj
key_value_pairs:
  {"uid": "ReAg2Cl6-63c4affdd5b9-2-1_0_0_1-0.29_1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Cl6/ReAg2Cl6-63c4affdd5b9/Ag2Cl6Re-2-1_0_0_1-0.29_1.0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Cl6-63c4affdd5b9", "bilayer_uid": "ReAg2Cl6-63c4affdd5b9-2-1_0_0_1-0.29_1.0", "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 1 3 4 4 6 7 7 0 1 1 6 7 7 3 4 4]", "has_inversion_symmetry": true, "magnetic": true, "cod_id": 4508861, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 8.567646357274223, "binding_energy_gs": 8.27097283539036, "distance": 3.4990000000000094}


unique_id: 61058333b9ff3d0b5123b2f267dfb764
username: jensj
key_value_pairs:
  {"uid": "ReAg2Cl6-63c4affdd5b9-2--1_0_0_-1-1.0_1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2Cl6/ReAg2Cl6-63c4affdd5b9/Ag2Cl6Re-2--1_0_0_-1-1.0_1.0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2Cl6-63c4affdd5b9", "bilayer_uid": "ReAg2Cl6-63c4affdd5b9-2--1_0_0_-1-1.0_1.0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 79, "layer_group": "p-62m", "space_group_number": 189, "space_group": "P-62m", "equivalent_atoms": "[0 1 1 3 3 3 6 6 6 0 1 1 6 6 6 3 3 3]", "has_inversion_symmetry": false, "magnetic": true, "cod_id": 4508861, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 8.05565813861912, "binding_energy_gs": 7.759009231885152, "distance": 3.5780000000000065}


unique_id: 8d2e0cd771b75909cc44ef5c036d2016
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 1 1 3 3 3 3 3 3]", "has_inversion_symmetry": true, "magnetic": true, "ehull": 0.07967748614643402, "dynamically_stable": "Yes", "gap_pbe": 0.171, "gap_pbe_dir": 0.172, "gap_pbe_nosoc": 0.303, "gap_pbe_dir_nosoc": 0.321, "dipz": -0.0}


unique_id: f12eef4bdb31dd75abf4645509e73e44
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-0.67_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_0_0_1-0.67_0.33", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-0.67_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 2 1 6 6 6 3 3 3]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.165, "gap_pbe_dir": 0.17, "gap_pbe_nosoc": 0.286, "gap_pbe_dir_nosoc": 0.293, "dipz": -0.0, "interlayer_magnetic_exchange": 0.013398988237419474, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 14.875666197929, "binding_energy_gs": 14.340414620608255, "distance": 3.3113750000000017}


unique_id: 988de51df26fc73deb6f06f5e1c27ed5
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-Iz-0.68_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_0_0_1-Iz-0.68_0.68", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-Iz-0.68_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  1  3  4  3  6  7  6  9 10 10 12 13 12 15 16 15]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.114, "gap_pbe_dir": 0.116, "gap_pbe_nosoc": 0.269, "gap_pbe_dir_nosoc": 0.271, "dipz": -0.004, "interlayer_magnetic_exchange": 0.016034319166124078, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 14.183397835747257, "binding_energy_gs": 13.67713515534282, "distance": 3.3897479839561786}


unique_id: 72c046413dbb18e3607926eeea0912b3
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2--1_0_0_-1-0.16_0.84", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2--1_0_0_-1-0.16_0.84", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2--1_0_0_-1-0.16_0.84", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  1  3  4  4  6  7  7  9 10 10 12 13 13 15 16 16]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.125, "gap_pbe_dir": 0.139, "gap_pbe_nosoc": 0.271, "gap_pbe_dir_nosoc": 0.271, "dipz": -0.004, "interlayer_magnetic_exchange": 0.016033362558331987, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 14.177973080558798, "binding_energy_gs": 13.67036313614656, "distance": 3.3866718750000047}


unique_id: 851117e43c92b588b4a34a990a4bc223
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-Iz-0.32_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_0_0_1-Iz-0.32_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-Iz-0.32_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  1  3  4  4  6  7  7  9 10 10 12 13 13 15 16 16]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.125, "gap_pbe_dir": 0.139, "gap_pbe_nosoc": 0.27, "gap_pbe_dir_nosoc": 0.271, "dipz": -0.004, "interlayer_magnetic_exchange": 0.01611444709398313, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 14.17497316342446, "binding_energy_gs": 13.667972330128167, "distance": 3.38481048395618}


unique_id: 7a17a81057f5f11860e648edd8648437
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2--1_0_0_-1-0.51_0.83", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2--1_0_0_-1-0.51_0.83", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2--1_0_0_-1-0.51_0.83", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  1  3  4  4  6  7  7  9 10 10 12 13 13 15 16 16]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.126, "gap_pbe_dir": 0.139, "gap_pbe_nosoc": 0.271, "gap_pbe_dir_nosoc": 0.271, "dipz": 0.003, "interlayer_magnetic_exchange": 0.015935265996411374, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 14.173067871098818, "binding_energy_gs": 13.665863922603677, "distance": 3.390375000000006}


unique_id: d629c2920e5182867d0436c69347bffa
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_-1_0_-1-Iz-0.59_0.51", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_-1_0_-1-Iz-0.59_0.51", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_-1_0_-1-Iz-0.59_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  1  3  4  3  6  7  6  9 10 10 12 12 14 15 15 17]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.114, "gap_pbe_dir": 0.116, "gap_pbe_nosoc": 0.271, "gap_pbe_dir_nosoc": 0.271, "dipz": -0.004, "interlayer_magnetic_exchange": 0.01603454221726963, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 14.161889875250193, "binding_energy_gs": 13.654863354519453, "distance": 3.3897479839561786}


unique_id: 4f4abe11f0504ec1dc1fa66c462d06de
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-0.67_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_0_0_1-0.67_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-0.67_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 1 3 4 4 6 7 7 0 1 1 6 7 7 3 4 4]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.129, "gap_pbe_dir": 0.133, "gap_pbe_nosoc": 0.271, "gap_pbe_dir_nosoc": 0.273, "dipz": -0.0, "interlayer_magnetic_exchange": 0.01740213175929739, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 14.10132882170393, "binding_energy_gs": 13.596561945918065, "distance": 3.401484375000006}


unique_id: 3ed02e95e33c2d8ef024ed81fe096b98
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1--0.33_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_0_0_1--0.33_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1--0.33_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 1 3 4 4 6 7 7 0 1 1 6 7 7 3 4 4]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.129, "gap_pbe_dir": 0.133, "gap_pbe_nosoc": 0.271, "gap_pbe_dir_nosoc": 0.273, "dipz": -0.0, "interlayer_magnetic_exchange": 0.017420427035162334, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 14.101009714405466, "binding_energy_gs": 13.596431852816451, "distance": 3.4027187500000036}


unique_id: 5bf98db8740beef7d8ad6a416b92e70a
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2--1_0_0_-1-0.53_0.83", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2--1_0_0_-1-0.53_0.83", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2--1_0_0_-1-0.53_0.83", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  1  3  4  4  6  7  7  9 10 10 12 13 13 15 16 16]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 14.092135314704118, "binding_energy_gs": 13.55776646132366, "distance": 3.4002500000000033}


unique_id: 969da49ad180adbcd3b4c91cbadff272
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-0.7_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_0_0_1-0.7_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-0.7_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 1 3 4 4 6 7 7 0 1 1 6 7 7 3 4 4]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 14.0186449981006, "binding_energy_gs": 13.485774957143798, "distance": 3.4200000000000017}


unique_id: 2fa47101b89bae70d0ee9d00a7aa44cd
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2--1_0_0_-1-0.23_0.83", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2--1_0_0_-1-0.23_0.83", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2--1_0_0_-1-0.23_0.83", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[ 0  1  1  3  4  4  6  7  7  9 10 10 12 13 13 15 16 16]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 13.518893906335899, "binding_energy_gs": 12.985401150240184, "distance": 3.459500000000004}


unique_id: d302755b3c3d2ba56a01036201f2ba70
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2--1_0_0_-1-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2--1_0_0_-1-Iz-0.29_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2--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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 13.514454977648192, "binding_energy_gs": 12.979760983054398, "distance": 3.4588729839561783}


unique_id: 4759047205d97137dcdfdecbc2ba64dc
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2--1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 13.3073327209639, "binding_energy_gs": 12.774420491678883, "distance": 3.498372983956177}


unique_id: fcc178b052840500140c5b795ec60afe
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_0_0_1-0_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 71, "layer_group": "p-31m", "space_group_number": 162, "space_group": "P-31m", "equivalent_atoms": "[0 1 1 3 3 3 6 6 6 0 1 1 6 6 6 3 3 3]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.149, "gap_pbe_dir": 0.149, "gap_pbe_nosoc": 0.289, "gap_pbe_dir_nosoc": 0.291, "dipz": -0.0, "interlayer_magnetic_exchange": 0.025292313057491356, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 13.22421836198049, "binding_energy_gs": 12.69037097665128, "distance": 3.4891250000000014}


unique_id: e420ea76116369bd7e5de51ee2092e51
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1--0.4_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_0_0_1--0.4_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1--0.4_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 1 3 4 4 6 7 7 0 1 1 6 7 7 3 4 4]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 13.149216895616261, "binding_energy_gs": 12.619175197427602, "distance": 3.4990000000000023}


unique_id: 3b14f45f87aff0207fd8964c28316b58
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_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 1 3 4 4 6 7 7 0 1 1 3 4 4 6 7 7]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 12.820626065787138, "binding_energy_gs": 12.286287443349229, "distance": 3.5576229839561773}


unique_id: b5b006e1b6e690164b1243b746cb0bc6
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_-1_0_-1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_-1_0_-1-Iz-0.79_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_-1_0_-1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 12.291930141781004, "binding_energy_gs": 11.757302258710657, "distance": 3.616872983956176}


unique_id: bb73fcf90e4442e78f7dd0ebd5dbe776
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_-1_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_-1_0_-1-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_-1_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 6 8 7 3 5 4]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 12.253615853364382, "binding_energy_gs": 11.719771473482577, "distance": 3.6175000000000015}


unique_id: 834b0179372d0fec675a56ce7a1c4075
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_0_0_1-Iz-0.79_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 3 5 4 6 8 7]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 12.103581316213821, "binding_energy_gs": 11.569387297575819, "distance": 3.6563729839561745}


unique_id: 985c6bf351a04747151057aa72f14914
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_0_0_1-0.79_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.748693725975413, "binding_energy_gs": 11.214021745968637, "distance": 3.716250000000004}


unique_id: 85434d8bee4d5163e0fec81ee006929a
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_-1_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_-1_0_-1-0.79_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_-1_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 6 8 7 3 5 4]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.281591390252242, "binding_energy_gs": 10.747334462773772, "distance": 3.7755000000000027}


unique_id: 874c53ff88bb95236294047082e75b3b
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2--1_0_0_-1-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.18068753142006, "binding_energy_gs": 10.645913969589671, "distance": 3.795250000000001}


unique_id: 7f755b9cf4088cfba2ecc792a2a5948a
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_-1_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_-1_0_-1-Iz-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_-1_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 10.854294851863013, "binding_energy_gs": 10.319221982940006, "distance": 3.853872983956176}


unique_id: b1aed8dc8344c161ab18dc41dbd32e68
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_0_0_1-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_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 1 3 4 4 6 7 7 0 1 1 6 7 7 3 4 4]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 10.821418006287516, "binding_energy_gs": 10.287689905653412, "distance": 3.8446250000000006}


unique_id: 305da6962e21e2446eca2fea796e6402
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2--1_0_0_-1-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2--1_0_0_-1-0.29_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2--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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 10.407000164444296, "binding_energy_gs": 9.871511252346911, "distance": 3.933500000000002}


unique_id: b890dbf34862cb086d17f3b4078a9fe4
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2--1_0_0_-1-0.17_0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2--1_0_0_-1-0.17_0.5", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2--1_0_0_-1-0.17_0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 1 2 6 6 6 3 3 3]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.92718146044226, "binding_energy_gs": 9.391941302473857, "distance": 4.032250000000003}


unique_id: 68b5b03206e08e4a81574d1383363811
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-0.4_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_0_0_1-0.4_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-0.4_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 1 3 4 4 6 7 7 0 1 1 6 7 7 3 4 4]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.829568339406412, "binding_energy_gs": 9.294682167930722, "distance": 4.032250000000003}


unique_id: c489c5012cd803488cb4488ad2edf2b8
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-0.3_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2-1_0_0_1-0.3_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2-1_0_0_1-0.3_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 1 3 4 4 6 7 7 0 1 1 6 7 7 3 4 4]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.737683766558797, "binding_energy_gs": 9.203214997960249, "distance": 4.052000000000001}


unique_id: 93b0f786da7f779545a2f2bcf94b507f
username: jensj
key_value_pairs:
  {"uid": "ReAg2I6-bab1ec0bdac5-2--1_0_0_-1-0.83_0.83", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAg2I6/ReAg2I6-bab1ec0bdac5/Ag2I6Re-2--1_0_0_-1-0.83_0.83", "stoichiometry": "AB2C6", "monolayer_uid": "ReAg2I6-bab1ec0bdac5", "bilayer_uid": "ReAg2I6-bab1ec0bdac5-2--1_0_0_-1-0.83_0.83", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 79, "layer_group": "p-62m", "space_group_number": 189, "space_group": "P-62m", "equivalent_atoms": "[0 1 1 3 3 3 6 6 6 0 1 1 6 6 6 3 3 3]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 9.248374449543727, "binding_energy_gs": 8.715744425216881, "distance": 4.131000000000002}


unique_id: bc1a18ccf31aedee29dac770025759ed
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "number_of_layers": 1, "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]", "has_inversion_symmetry": false, "magnetic": true, "ehull": 0.17719547475429942, "dynamically_stable": "Yes", "gap_pbe": 0.182, "gap_pbe_dir": 0.327, "gap_pbe_nosoc": 0.11, "gap_pbe_dir_nosoc": 0.256, "dipz": 0.151}


unique_id: 1c81f38cabb257ad5c4c87537cf53017
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2--1_0_0_-1-Iz-0.1_0.15", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2--1_0_0_-1-Iz-0.1_0.15", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2--1_0_0_-1-Iz-0.1_0.15", "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": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 26.740940238504418, "binding_energy_gs": 26.79953087909692, "distance": 0.7966639167111076}


unique_id: 21b793b72b17d744aeb37fbc47dd2a34
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2-0_1_1_0-Iz-0.51_-0.51", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2-0_1_1_0-Iz-0.51_-0.51", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2-0_1_1_0-Iz-0.51_-0.51", "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 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 23.40792425885911, "binding_energy_gs": 23.466348047923695, "distance": 0.9941639167111056}


unique_id: 12fca8809afed71c9344715cdb0c53f8
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2--1_0_0_-1-Iz--0.04_0.17", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2--1_0_0_-1-Iz--0.04_0.17", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2--1_0_0_-1-Iz--0.04_0.17", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 23.01689734381896, "binding_energy_gs": 23.076611414412127, "distance": 0.9546639167111053}


unique_id: 1a2b0ad54105a35ad0d2716232d6fda6
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2-1_0_0_1-Iz--0.22_0.27", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2-1_0_0_1-Iz--0.22_0.27", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2-1_0_0_1-Iz--0.22_0.27", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.750079553429767, "binding_energy_gs": 22.80844544282833, "distance": 0.9793514167111077}


unique_id: b18ef38a437dd83e5fd8ed237fe1f92e
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2-0_1_1_0-Iz--0.43_-0.38", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2-0_1_1_0-Iz--0.43_-0.38", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2-0_1_1_0-Iz--0.43_-0.38", "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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.756675733786032, "binding_energy_gs": 21.8146062320615, "distance": 1.081804541711108}


unique_id: a7581c264376665862dfb71ffffcad52
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2-0_-1_-1_0-Iz-0.38_-0.19", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2-0_-1_-1_0-Iz-0.38_-0.19", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2-0_-1_-1_0-Iz-0.38_-0.19", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.490543328750665, "binding_energy_gs": 21.54848225343058, "distance": 1.0682264167111093}


unique_id: 22201ad0f6dc7328d8cf137b11c2e739
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2-1_0_0_1-Iz-0.09_-0.52", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2-1_0_0_1-Iz-0.09_-0.52", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2-1_0_0_1-Iz-0.09_-0.52", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 20.89262534655733, "binding_energy_gs": 20.951210149525647, "distance": 1.0706951667111095}


unique_id: 23132899e78a4df5345ed078fb871534
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2--1_0_0_-1-Iz-0.34_-0.59", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2--1_0_0_-1-Iz-0.34_-0.59", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2--1_0_0_-1-Iz-0.34_-0.59", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 20.758009515911347, "binding_energy_gs": 20.816140849164448, "distance": 1.1126639167111048}


unique_id: 67a853d3d61175de37fe7d5583ccf4be
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2-0_-1_-1_0-Iz--0.56_-0.06", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2-0_-1_-1_0-Iz--0.56_-0.06", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2-0_-1_-1_0-Iz--0.56_-0.06", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.490413070976835, "binding_energy_gs": 19.54861725282808, "distance": 1.1867264167111067}


unique_id: 4d79a4c5762ac3a6976a26e7a0c766da
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2-0_1_1_0-Iz--0.07_0.07", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2-0_1_1_0-Iz--0.07_0.07", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2-0_1_1_0-Iz--0.07_0.07", "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 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.269507390191606, "binding_energy_gs": 19.328075406272497, "distance": 1.1521639167111069}


unique_id: c6d82079afb1d308e26e5d562ccb4520
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2-0_1_1_0-Iz-0.01_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2-0_1_1_0-Iz-0.01_-0.01", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2-0_1_1_0-Iz-0.01_-0.01", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.88274189631668, "binding_energy_gs": 18.94145540046031, "distance": 1.1126639167111048}


unique_id: 63a734b089f123123d71f0b9fbbac779
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2-0_-1_-1_0-Iz-0.53_0.53", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2-0_-1_-1_0-Iz-0.53_0.53", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2-0_-1_-1_0-Iz-0.53_0.53", "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 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.77206104005133, "binding_energy_gs": 18.830736780967634, "distance": 1.1916639167111036}


unique_id: e65570018003114190598d21bb8e546c
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2-0_-1_-1_0-Iz-0.23_-0.37", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2-0_-1_-1_0-Iz-0.23_-0.37", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2-0_-1_-1_0-Iz-0.23_-0.37", "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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.36544925611934, "binding_energy_gs": 18.42370719927089, "distance": 1.243507666711107}


unique_id: 262d5a2e42c65442f1d5325b0f6082e5
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2--1_0_0_-1-Iz-0.57_0.41", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2--1_0_0_-1-Iz-0.57_0.41", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2--1_0_0_-1-Iz-0.57_0.41", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.352046707661483, "binding_energy_gs": 18.410171560814824, "distance": 1.2311639167111075}


unique_id: 6db5f3ba3d0a7a3d98196d79045a0b82
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2-0_1_1_0-Iz--0.28_-0.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2-0_1_1_0-Iz--0.28_-0.2", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2-0_1_1_0-Iz--0.28_-0.2", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.117501120442867, "binding_energy_gs": 18.176988421420965, "distance": 1.2509139167111059}


unique_id: d48693624b301f6eed402c5eb1c7896f
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2-0_-1_-1_0-Iz-0.6_0.07", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2-0_-1_-1_0-Iz-0.6_0.07", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2-0_-1_-1_0-Iz-0.6_0.07", "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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.082362437548774, "binding_energy_gs": 18.140894425906186, "distance": 1.2706639167111042}


unique_id: 7b78de4acb70f1f8abc7deee4c2e3ad6
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2-0_-1_-1_0-Iz-0.34_0.64", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2-0_-1_-1_0-Iz-0.34_0.64", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2-0_-1_-1_0-Iz-0.34_0.64", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.872346523020497, "binding_energy_gs": 17.93085321726502, "distance": 1.2743670417111073}


unique_id: 19528533b874d3133fcb8e37b19fae73
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2--1_0_0_-1-Iz-0.46_0.6", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2--1_0_0_-1-Iz-0.46_0.6", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2--1_0_0_-1-Iz-0.46_0.6", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.605214192854937, "binding_energy_gs": 17.662881512880634, "distance": 1.1521639167111069}


unique_id: 25aacf20887c769b22e3d225772fc3ea
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2-0_-1_-1_0-Iz-0.75_0.56", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2-0_-1_-1_0-Iz-0.75_0.56", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2-0_-1_-1_0-Iz-0.75_0.56", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.514520669726362, "binding_energy_gs": 17.57245208645243, "distance": 1.2410389167111031}


unique_id: 4fec2857dbc1e737cd5bc156a8c3bdbc
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2--1_0_0_-1-Iz--0.75_0.12", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2--1_0_0_-1-Iz--0.75_0.12", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2--1_0_0_-1-Iz--0.75_0.12", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.492519117367916, "binding_energy_gs": 17.55241586224369, "distance": 1.2706639167111042}


unique_id: 929430d3fd9777445bd595f1af1213cd
username: jensj
key_value_pairs:
  {"uid": "ReAu2F6-c25153c7d7c0-2--1_0_0_-1-Iz--0.14_-0.05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReAu2F6/ReAu2F6-c25153c7d7c0/Au2F6Re-2--1_0_0_-1-Iz--0.14_-0.05", "stoichiometry": "AB2C6", "monolayer_uid": "ReAu2F6-c25153c7d7c0", "bilayer_uid": "ReAu2F6-c25153c7d7c0-2--1_0_0_-1-Iz--0.14_-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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.47677550956481, "binding_energy_gs": 17.53548917273785, "distance": 1.3101639167111028}


unique_id: af9469c35d96cc73288046ee32eacc6f
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 1 3 3 3 3 3 3]", "has_inversion_symmetry": true, "magnetic": true, "ehull": 0.014460067610565286, "dynamically_stable": "Yes", "gap_pbe": 0.659, "gap_pbe_dir": 0.666, "gap_pbe_nosoc": 0.715, "gap_pbe_dir_nosoc": 0.716, "dipz": -0.0}


unique_id: 4e910b50c9a9e5237ef4a8a4e0fee0bd
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_0_0_1--0.67_-0.33", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1--0.67_-0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 2 1 6 6 6 3 3 3]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.656, "gap_pbe_dir": 0.664, "gap_pbe_nosoc": 0.713, "gap_pbe_dir_nosoc": 0.714, "dipz": -0.0, "interlayer_magnetic_exchange": 0.00626351052994778, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.530321117309416, "binding_energy_gs": 14.340812082567552, "distance": 3.084250000000008}


unique_id: ad9e4420ae7ca4c78c6da35fb436e8ca
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_0_0_1--0.33_-0.67", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1--0.33_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 2 1 6 6 6 3 3 3]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.652, "gap_pbe_dir": 0.659, "gap_pbe_nosoc": 0.706, "gap_pbe_dir_nosoc": 0.706, "dipz": -0.0, "interlayer_magnetic_exchange": 0.004000226738057222, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.452653483228456, "binding_energy_gs": 14.263197913358933, "distance": 3.0250000000000075}


unique_id: dec55d8090b1b362d57f6edad008bf0f
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz--0.32_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_1_0_1-Iz--0.32_-0.67", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz--0.32_-0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  3  3  3  6  6  6  9 10 11 12 12 12 15 15 15]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.593, "gap_pbe_dir": 0.6, "gap_pbe_nosoc": 0.648, "gap_pbe_dir_nosoc": 0.648, "dipz": -0.012, "interlayer_magnetic_exchange": 0.0047302783361828915, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.44944010143255, "binding_energy_gs": 14.260087928949897, "distance": 3.052890336902962}


unique_id: b4465cd6b28772b33a06d89fa88b1c7b
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz--0.69_-0.99", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_-1_0_-1-Iz--0.69_-0.99", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz--0.69_-0.99", "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": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 24.855872092881786, "binding_energy_gs": 13.666415361607044, "distance": 3.1121403369029643}


unique_id: 6aa47ba757f0ff8b35a016db2c955039
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_0_0_-1-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_0_0_-1-Iz-0.29_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 24.854511464447476, "binding_energy_gs": 13.665090270597629, "distance": 3.1812653369029658}


unique_id: 325f24ec99fcbcc27ecff4c6ce086ca0
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_0_0_-1--0.28_-0.99", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_0_0_-1--0.28_-0.99", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2--1_0_0_-1--0.28_-0.99", "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": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 24.851344751194155, "binding_energy_gs": 13.661571430676837, "distance": 3.12375000000001}


unique_id: 7e80bf1d77bcc60c10741664a97047a4
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1--0.3_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_0_0_1--0.3_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1--0.3_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 24.829988965078815, "binding_energy_gs": 13.638941537440832, "distance": 3.1435000000000084}


unique_id: 11bc00ebf7e650479bb239f69e309245
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz--0.29_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_1_0_1-Iz--0.29_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz--0.29_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 24.790394623694464, "binding_energy_gs": 13.601307228324934, "distance": 3.1417653369029637}


unique_id: 8c5df8259c02fa9ab5e79d530d0983f8
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_-1_0_-1-0.29_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_-1_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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 24.709467907206932, "binding_energy_gs": 13.519901988994112, "distance": 3.1533750000000076}


unique_id: deffda4f621d9fe3c887ec691488a14b
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz-0.41_-0.98", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_-1_0_-1-Iz-0.41_-0.98", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz-0.41_-0.98", "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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 24.68493581346202, "binding_energy_gs": 13.495633043614726, "distance": 3.151640336902963}


unique_id: 75fc8a2a98c04c4f834b175f00c64b24
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_0_0_-1-0.42_-0.99", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_0_0_-1-0.42_-0.99", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2--1_0_0_-1-0.42_-0.99", "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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 24.666272627396904, "binding_energy_gs": 13.476620925748879, "distance": 3.163250000000007}


unique_id: 3acce33c86062a0d46bdace6b5859ddb
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz--0.39_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_1_0_1-Iz--0.39_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz--0.39_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 24.50288746826527, "binding_energy_gs": 13.313398680034439, "distance": 3.191140336902965}


unique_id: 3af79a8d65c164f70a1f1d34d8d2a3c1
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1--0.4_0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_0_0_1--0.4_0.01", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1--0.4_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 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 24.422156419119148, "binding_energy_gs": 13.233322160684496, "distance": 3.202750000000009}


unique_id: 2c8f3477407f60135bc8919ab01d1e26
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_-1_0_-1-Iz-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 24.397069426252447, "binding_energy_gs": 13.207493093811538, "distance": 3.2108903369029633}


unique_id: b39b1fa370be4215c9c11f06fa1b764c
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 24.3754883229018, "binding_energy_gs": 13.185838343840283, "distance": 3.2108903369029633}


unique_id: 14359074582474007233bf7bcb903a27
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz-0.01_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_1_0_1-Iz-0.01_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz-0.01_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 1 2 3 3 3 6 6 6]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.646, "gap_pbe_dir": 0.647, "gap_pbe_nosoc": 0.706, "gap_pbe_dir_nosoc": 0.706, "dipz": -0.0, "interlayer_magnetic_exchange": 0.007832593698509527, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 24.250762231794088, "binding_energy_gs": 13.061494974960963, "distance": 3.151640336902963}


unique_id: 7e5379bc58800b4536f1a7c749135ecb
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_0_0_1-0_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 2 1 6 6 6 3 3 3]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.651, "gap_pbe_dir": 0.658, "gap_pbe_nosoc": 0.705, "gap_pbe_dir_nosoc": 0.705, "dipz": -0.0, "interlayer_magnetic_exchange": 0.007844904235867034, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 24.16286498383485, "binding_energy_gs": 12.97386245856688, "distance": 3.1435000000000084}


unique_id: 2ec1eb72f3f743d6a7058e15a438a65a
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_0_0_-1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_0_0_-1-0.79_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2--1_0_0_-1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 23.51503172316432, "binding_energy_gs": 12.325357742466272, "distance": 3.311375000000007}


unique_id: 5bb3fa393d746767a9b95ee6de41d25e
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_1_0_1-Iz-0.79_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 23.326684385486093, "binding_energy_gs": 12.136997165792243, "distance": 3.3293903369029607}


unique_id: 96577c5751d7d3b4c4566d0ff9d2b776
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_-1_0_-1-Iz-0.79_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 23.232197735962565, "binding_energy_gs": 12.042722428579868, "distance": 3.3096403369029623}


unique_id: 861089a5e5bd7813a2f64f458261467a
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_0_0_1-0.79_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 23.15388077237433, "binding_energy_gs": 11.964396763120096, "distance": 3.3212500000000063}


unique_id: 887b6b9ce4831cc1a004df3ad8f9e102
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_-1_0_-1-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 23.021840757696996, "binding_energy_gs": 11.832115241644635, "distance": 3.3805000000000067}


unique_id: 5786011cb573b1eba6900f6864c217bb
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_0_0_1-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 22.99662859519783, "binding_energy_gs": 11.80702148726504, "distance": 3.3805000000000067}


unique_id: c25e47d9858f8f08aeb4c28efefd50df
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_-1_0_-1-Iz-0.29_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz-0.29_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 22.579813976497082, "binding_energy_gs": 11.390443417042894, "distance": 3.4676403369029636}


unique_id: 67406266d0d30b73e2d6b7d5d345fe02
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1--0.36_-0.05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_0_0_1--0.36_-0.05", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1--0.36_-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 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.645, "gap_pbe_dir": 0.667, "gap_pbe_nosoc": 0.697, "gap_pbe_dir_nosoc": 0.705, "dipz": -0.0, "interlayer_magnetic_exchange": 0.006849875023220875, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 22.427010207612632, "binding_energy_gs": 13.843319921961529, "distance": 3.1311562500000125}


unique_id: 6fd0e9b5789c023c348cd7a3ecfee537
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1-0.63_-0.05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_0_0_1-0.63_-0.05", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1-0.63_-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 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.646, "gap_pbe_dir": 0.667, "gap_pbe_nosoc": 0.697, "gap_pbe_dir_nosoc": 0.705, "dipz": -0.0, "interlayer_magnetic_exchange": 0.006844074126192368, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 22.426988929216357, "binding_energy_gs": 13.843788829505595, "distance": 3.133625000000009}


unique_id: 18d2cc452a54ec96327d8c5ef6be36fb
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1-0.64_-0.06", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_0_0_1-0.64_-0.06", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1-0.64_-0.06", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 22.423089198126103, "binding_energy_gs": 13.839321101180122, "distance": 3.133625000000009}


unique_id: f2d6a0d8bd17379793d364670b13124d
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1--0.36_-0.04", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_0_0_1--0.36_-0.04", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1--0.36_-0.04", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 22.42166236837134, "binding_energy_gs": 13.837477643324158, "distance": 3.126218750000012}


unique_id: a8c044b333d5ffdff174a127b1b771ef
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1--0.35_-0.04", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_0_0_1--0.35_-0.04", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1--0.35_-0.04", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 22.415806321985084, "binding_energy_gs": 13.832252672592077, "distance": 3.1249843750000093}


unique_id: fab29b100ba6b2487c0fc40509e2d4c0
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz-1.04_0.71", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_-1_0_-1-Iz-1.04_0.71", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz-1.04_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": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 22.406023711947782, "binding_energy_gs": 13.821477304342828, "distance": 3.1121403369029643}


unique_id: acdadb9e56275f7d66e49336df1f9ec2
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz--0.68_-1.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_-1_0_-1-Iz--0.68_-1.01", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz--0.68_-1.01", "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": true, "gap_pbe": 0.606, "gap_pbe_dir": 0.612, "gap_pbe_nosoc": 0.655, "gap_pbe_dir_nosoc": 0.659, "dipz": 0.01, "interlayer_magnetic_exchange": 0.005337410937642062, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 22.401253160553374, "binding_energy_gs": 13.817106989818656, "distance": 3.1121403369029643}


unique_id: 36aa200616972b4c4922b169404c613f
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz-0.67_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_-1_0_-1-Iz-0.67_-0.01", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz-0.67_-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": true, "gap_pbe": 0.606, "gap_pbe_dir": 0.612, "gap_pbe_nosoc": 0.655, "gap_pbe_dir_nosoc": 0.659, "dipz": -0.01, "interlayer_magnetic_exchange": 0.005344276159149786, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 22.400393833130234, "binding_energy_gs": 13.815653592122286, "distance": 3.1121403369029643}


unique_id: 4ff14eb908adfc5675ca1ba53ca4cc8d
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz-0.33_-1.0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_-1_0_-1-Iz-0.33_-1.0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz-0.33_-1.0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 22.393920911539187, "binding_energy_gs": 13.809407582956675, "distance": 3.1096715869029676}


unique_id: bb4bd1b173d6b98da9daa611665d3bde
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz--0.69_-1.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_-1_0_-1-Iz--0.69_-1.03", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz--0.69_-1.03", "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": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 22.388941146182248, "binding_energy_gs": 13.804480867703177, "distance": 3.120780961902968}


unique_id: 203474a702faaf5626825e89953e8178
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_0_0_-1-0.69_0.69", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_0_0_-1-0.69_0.69", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2--1_0_0_-1-0.69_0.69", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.6, "gap_pbe_dir": 0.613, "gap_pbe_nosoc": 0.656, "gap_pbe_dir_nosoc": 0.66, "dipz": 0.01, "interlayer_magnetic_exchange": 0.005333716529278831, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 22.359398181773276, "binding_energy_gs": 13.774556055547276, "distance": 3.105234375000011}


unique_id: 191822ea8828714f8e1e8b92b9cf881d
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_0_0_-1-0.35_-0.99", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_0_0_-1-0.35_-0.99", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2--1_0_0_-1-0.35_-0.99", "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": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 22.34928104551949, "binding_energy_gs": 13.765296567062064, "distance": 3.1077031250000076}


unique_id: 9fb30ad0cd1ab0b8aa0e0b88569e0d9e
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_0_0_-1--0.31_-0.98", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_0_0_-1--0.31_-0.98", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2--1_0_0_-1--0.31_-0.98", "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": true, "gap_pbe": 0.62, "gap_pbe_dir": 0.628, "gap_pbe_nosoc": 0.655, "gap_pbe_dir_nosoc": 0.66, "dipz": -0.01, "interlayer_magnetic_exchange": 0.005312049651678308, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 22.347997318714313, "binding_energy_gs": 13.76355202621043, "distance": 3.10646875000001}


unique_id: 609a8816f4efbc45ad77488fa0c5feac
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz--0.33_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_1_0_1-Iz--0.33_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz--0.33_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.666, "gap_pbe_dir": 0.668, "gap_pbe_nosoc": 0.703, "gap_pbe_dir_nosoc": 0.703, "dipz": -0.0, "interlayer_magnetic_exchange": 0.0065987226426642565, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 22.32441788508686, "binding_energy_gs": 13.740267710980484, "distance": 3.1318903369029645}


unique_id: c7874301fe5aabde0e34bc090ee88dbe
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_0_0_-1-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_0_0_-1-0.29_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.323156052025027, "binding_energy_gs": 11.133732055885842, "distance": 3.4693750000000083}


unique_id: 1c6c5c1239b626c01f8fdecdad84bf64
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz--0.32_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_1_0_1-Iz--0.32_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz--0.32_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 22.32234178882586, "binding_energy_gs": 13.738188099438185, "distance": 3.1318903369029645}


unique_id: 778f20febe1e9db88fb3fdf10b767126
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-0.67_0.02", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_-1_0_-1-0.67_0.02", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-0.67_0.02", "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 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.665, "gap_pbe_dir": 0.667, "gap_pbe_nosoc": 0.7, "gap_pbe_dir_nosoc": 0.701, "dipz": -0.001, "interlayer_magnetic_exchange": 0.006848952909578543, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 22.320335116947337, "binding_energy_gs": 13.736303268880395, "distance": 3.1299218750000097}


unique_id: 143f3fd4c0c7e4af084e6e4a70875c44
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz--0.66_-0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_-1_0_-1-Iz--0.66_-0.31", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz--0.66_-0.31", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 1 2 3 3 3 6 6 6]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.140336758877467, "binding_energy_gs": 10.950737186895166, "distance": 3.526890336902964}


unique_id: 1237e0bea2ce6b82b06c48dc782d2541
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz-0.84_0.51", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_1_0_1-Iz-0.84_0.51", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz-0.84_0.51", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 22.012237474792304, "binding_energy_gs": 13.426761841207487, "distance": 3.1812653369029658}


unique_id: 225185ee9b7f93874480969330eeb7fa
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1-0.4_-0.01", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_0_0_1-0.4_-0.01", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1-0.4_-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 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.925868340835187, "binding_energy_gs": 10.736417177589885, "distance": 3.518750000000006}


unique_id: b586aacda2b5c306b7d729a0fdbf5b43
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_0_0_-1--0.65_-0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_0_0_-1--0.65_-0.31", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2--1_0_0_-1--0.65_-0.31", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  3  3  3  6  6  6  9 10 11 12 12 12 15 15 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.90780062387987, "binding_energy_gs": 10.719399440900506, "distance": 3.518750000000006}


unique_id: 809f09fc1acbec91b849bc480efecb13
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz-0.41_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_1_0_1-Iz-0.41_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz-0.41_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.90346459801599, "binding_energy_gs": 10.715201767721512, "distance": 3.5170153369029613}


unique_id: 391bc62836889fd8afd123504f7ce8ad
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz--0.32_-0.65", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_-1_0_-1-Iz--0.32_-0.65", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz--0.32_-0.65", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 1 2 3 3 3 6 6 6]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.796330391500646, "binding_energy_gs": 10.606554094908066, "distance": 3.507140336902962}


unique_id: ca81bf8a7ecd7f84f0c2c65854f05d65
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1-Iz-0.52_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_0_0_1-Iz-0.52_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1-Iz-0.52_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 21.77894929488601, "binding_energy_gs": 13.1928162384098, "distance": 3.2108903369029633}


unique_id: ec560d49170a14609a14d4264589a88f
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz--0.69_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_1_0_1-Iz--0.69_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2--1_1_0_1-Iz--0.69_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.68316939886429, "binding_energy_gs": 10.493736591409418, "distance": 3.5367653369029632}


unique_id: 5e7826af0e2bab00b18a5d958b1441cb
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1--0.7_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_0_0_1--0.7_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_0_0_1--0.7_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.660730072003684, "binding_energy_gs": 10.471791165777242, "distance": 3.538500000000008}


unique_id: fdca6658c0cb864ff77cb94dec88dbe7
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2--1_0_0_-1--0.98_-0.98", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2--1_0_0_-1--0.98_-0.98", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2--1_0_0_-1--0.98_-0.98", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 74, "layer_group": "p-6", "space_group_number": 174, "space_group": "P-6", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 2 1 6 6 6 3 3 3]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.252322753554374, "binding_energy_gs": 10.062693334540942, "distance": 3.5780000000000065}


unique_id: 9607b9a4e3b76504b72da11e531e0677
username: jensj
key_value_pairs:
  {"uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz--0.99_-0.98", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2Cl6/ReCu2Cl6-86c5de50519d/Cl6Cu2Re-2-1_-1_0_-1-Iz--0.99_-0.98", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2Cl6-86c5de50519d", "bilayer_uid": "ReCu2Cl6-86c5de50519d-2-1_-1_0_-1-Iz--0.99_-0.98", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 1 2 3 3 3 6 6 6]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.170493664289417, "binding_energy_gs": 9.980526681935398, "distance": 3.586140336902961}


unique_id: 514aec20ffb06ce11a356a5c05046bf7
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 1 3 4 5 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 1.099, "gap_pbe_dir": 1.148, "gap_pbe_nosoc": 1.113, "gap_pbe_dir_nosoc": 1.181, "dipz": 0.0}


unique_id: af42758d7729fa02350de9abd9813044
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.21_-0.61", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz--0.21_-0.61", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.21_-0.61", "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": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 22.91291470808503, "binding_energy_gs": 16.067788873792573, "distance": 1.9450970727386903}


unique_id: 4473cb9870ccb14b5469f16d3ba929ca
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1-0.14_0.23", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2--1_0_0_-1-0.14_0.23", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1-0.14_0.23", "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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 22.460024850281087, "binding_energy_gs": 15.615012577683524, "distance": 1.9683750000000089}


unique_id: 4abe7cc3f3eb06563d5a002157596c14
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz-0.32_0.61", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz-0.32_0.61", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz-0.32_0.61", "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": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 22.2875558113026, "binding_energy_gs": 15.442496530258383, "distance": 2.043847072738691}


unique_id: b157e80b28bd141ee4ef9c64f5281bea
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.24_-0.19", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1--0.24_-0.19", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.24_-0.19", "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 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 21.845799961624493, "binding_energy_gs": 15.000749920189318, "distance": 2.0473750000000095}


unique_id: dc3739f4eb3910c4db5cfda8692907a3
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.35_0.21", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz--0.35_0.21", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.35_0.21", "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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 21.737885014552845, "binding_energy_gs": 14.892755041260267, "distance": 2.112972072738689}


unique_id: 5e471377f06dafe540d4daa246d8bc2e
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.37_0.37", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz--0.37_0.37", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.37_0.37", "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 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 21.690462699477813, "binding_energy_gs": 14.845131281179654, "distance": 2.0734720727386904}


unique_id: 5303418175561c931749e6f14c1bbbe7
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.27_0.07", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1--0.27_0.07", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.27_0.07", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 21.61883732449333, "binding_energy_gs": 14.773442792978377, "distance": 1.9782500000000116}


unique_id: b98a0c32bd00556f74a15871bbb6143a
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.3_-0.72", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz--0.3_-0.72", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.3_-0.72", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 21.59043519405758, "binding_energy_gs": 14.745315542366106, "distance": 2.0734720727386904}


unique_id: 13dee82567843d886fd989915d30df38
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1-0.65_-0.26", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1-0.65_-0.26", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1-0.65_-0.26", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 21.57466322975313, "binding_energy_gs": 14.730030125764515, "distance": 2.0868750000000116}


unique_id: cc32e158ccc1688d6e2b0684fa82a27d
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.54_0.7", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz--0.54_0.7", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.54_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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 21.489878139438506, "binding_energy_gs": 14.644315222306805, "distance": 2.0734720727386904}


unique_id: d540437e1bdcff408efbbbb751e81e9d
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.04_-0.04", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz-0.04_-0.04", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.04_-0.04", "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 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 21.47003633501138, "binding_energy_gs": 14.624986050703397, "distance": 1.994472072738688}


unique_id: 5a47a4be0fe424758f7544dd1d5fa848
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.13_0.29", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz--0.13_0.29", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.13_0.29", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 21.41085872980083, "binding_energy_gs": 14.565829217846748, "distance": 2.0537220727386902}


unique_id: 8de171648b35f7eff336abb110c5782d
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.85_0.05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz--0.85_0.05", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.85_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": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 21.36604613585742, "binding_energy_gs": 14.52101761583414, "distance": 2.0142220727386917}


unique_id: bac9a78bdfab285e42287e16bc5318dc
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.27_-0.54", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz--0.27_-0.54", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.27_-0.54", "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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 21.334137613518394, "binding_energy_gs": 14.489001613603726, "distance": 2.112972072738689}


unique_id: d2e715f066e8479764235e3bd19b70b5
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.51_-0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1--0.51_-0.08", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.51_-0.08", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 21.332296725697518, "binding_energy_gs": 14.486984169260428, "distance": 1.9585000000000132}


unique_id: 20235e101d4b9e6be1c057451d3bf6fa
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1-0.17_0.53", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1-0.17_0.53", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1-0.17_0.53", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 21.326600957558995, "binding_energy_gs": 14.481528539707975, "distance": 2.0375000000000085}


unique_id: 6b722aa26e764b87b4dc306d02a14751
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1-Iz-0.17_0.53", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1-Iz-0.17_0.53", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1-Iz-0.17_0.53", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 21.26022799214808, "binding_energy_gs": 14.415187627314324, "distance": 2.0932220727386905}


unique_id: 54218a4fa06bf090b1ee4d4093e8c874
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.55_0.12", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz--0.55_0.12", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.55_0.12", "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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 21.191488508042376, "binding_energy_gs": 14.346364667798168, "distance": 2.112972072738689}


unique_id: 1db1d77f5026a31977c0e9dd08ccd7c1
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1--0.08_0.24", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2--1_0_0_-1--0.08_0.24", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1--0.08_0.24", "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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 20.95746357446725, "binding_energy_gs": 14.112463455935586, "distance": 2.0671250000000096}


unique_id: 488993e439fd83803d8dc0694b84ae07
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.14_0.51", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz--0.14_0.51", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.14_0.51", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 20.757765877189822, "binding_energy_gs": 13.912624442874913, "distance": 2.0932220727386905}


unique_id: 53b7db82d7969712a754ba985e443bdf
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.21_0.18", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz-0.21_0.18", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.21_0.18", "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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 20.566848018485594, "binding_energy_gs": 13.721819127836724, "distance": 2.132722072738689}


unique_id: 63704c976fa103db2c6a3886f0b6006d
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz-0.52_0.21", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz-0.52_0.21", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz-0.52_0.21", "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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 20.538579901516368, "binding_energy_gs": 13.693633265085552, "distance": 2.152472072738691}


unique_id: 85514a9b126cfe827cfaa3a0fbb17426
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1-0.65_0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2--1_0_0_-1-0.65_0.31", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1-0.65_0.31", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 20.469694508414133, "binding_energy_gs": 13.624574771852417, "distance": 2.1955000000000116}


unique_id: a98f1b9e9e29032f9506046c6662e47b
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.11_0.7", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz--0.11_0.7", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.11_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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 20.388119183326122, "binding_energy_gs": 13.541830184100224, "distance": 2.132722072738689}


unique_id: dc901722b9b45ee68984e8a71cd0c25b
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1-0.31_-0.52", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1-0.31_-0.52", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1-0.31_-0.52", "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 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 20.377045347861173, "binding_energy_gs": 13.532021221655507, "distance": 2.205375000000009}


unique_id: b6a4dcdf76561827ca880b81f3784b89
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1--0.03_0.83", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2--1_0_0_-1--0.03_0.83", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1--0.03_0.83", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 20.328909809818818, "binding_energy_gs": 13.48384830746074, "distance": 2.0967500000000125}


unique_id: 8fca7136c16ac8fcdab661782ad0bc36
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.59_0.59", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1--0.59_0.59", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.59_0.59", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 20.32205582355045, "binding_energy_gs": 13.476945268761494, "distance": 2.1955000000000116}


unique_id: 8ff3b56dcbca930a6c9006f8264a6259
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz-0.03_-0.46", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz-0.03_-0.46", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz-0.03_-0.46", "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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 20.2232598267989, "binding_energy_gs": 13.378018340591439, "distance": 2.152472072738691}


unique_id: d0fb85619a3ec8a6e192237ebced000b
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1--0.17_-0.26", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2--1_0_0_-1--0.17_-0.26", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1--0.17_-0.26", "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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 20.14947117910703, "binding_energy_gs": 13.304378092419254, "distance": 2.0967500000000125}


unique_id: d248449659661fe4627b308538740ee2
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.08_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1--0.08_0.67", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.08_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 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 20.083498479764454, "binding_energy_gs": 13.238187857446901, "distance": 2.21525000000001}


unique_id: eb2d7e43d4e692215c61f01b1b5b598b
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.14_-0.73", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz-0.14_-0.73", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.14_-0.73", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 20.011877055593533, "binding_energy_gs": 13.166662503313226, "distance": 2.211722072738688}


unique_id: 913263af4e3e04c730de52948c186ddd
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.03_0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz--0.03_0.03", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.03_0.03", "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 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 19.921085131818728, "binding_energy_gs": 13.07599481091365, "distance": 2.211722072738688}


unique_id: 1b09199fe9b49d1ca19a5f6d5b0a962d
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1-0_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.830441129456617, "binding_energy_gs": 12.984942488061339, "distance": 2.10662500000001}


unique_id: 3624490adaff245ba84a15cfc57f3d1c
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.65_0.51", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz-0.65_0.51", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.65_0.51", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.812335794843943, "binding_energy_gs": 12.967225769610637, "distance": 2.1722220727386894}


unique_id: 9bd8f554123cd7b68cfdb68782f1a1fe
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.05_0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz-0.05_0.32", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.05_0.32", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.79533655262048, "binding_energy_gs": 12.95019125934445, "distance": 2.2709720727386884}


unique_id: 6b3d00e01ee15951c7fa75f0a14e1a6d
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.4_0.54", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz--0.4_0.54", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.4_0.54", "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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.788693294414685, "binding_energy_gs": 12.943485023099079, "distance": 2.23147207273869}


unique_id: 5ba54a7db35b2fd1cd821cdd62808cbb
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.29_0.1", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz--0.29_0.1", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.29_0.1", "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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.780624140664205, "binding_energy_gs": 12.935566112431898, "distance": 2.2907220727386903}


unique_id: 5141142e901d914748d939675a4b7f05
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1--0.31_0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2--1_0_0_-1--0.31_0.08", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1--0.31_0.08", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.738163327098814, "binding_energy_gs": 12.892753215625037, "distance": 2.2547500000000102}


unique_id: 412e73ae6d664ba82546881b4bce39b9
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.61_0.24", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz--0.61_0.24", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.61_0.24", "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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.71780474891865, "binding_energy_gs": 12.872568527601462, "distance": 2.211722072738688}


unique_id: f1d240f5dec9db28c31bab232fdd77cb
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz-0.3_-0.53", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz-0.3_-0.53", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz-0.3_-0.53", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.669643225010045, "binding_energy_gs": 12.82431274653216, "distance": 2.2808470727386894}


unique_id: b0b44c9da461873c21f3bbb00469f593
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1--0.58_0.15", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2--1_0_0_-1--0.58_0.15", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1--0.58_0.15", "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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.624948540296266, "binding_energy_gs": 12.779800985124018, "distance": 2.2745000000000104}


unique_id: 95254e6c9e14d7b024a3b0bebe1bbaf6
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.76_0.19", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1--0.76_0.19", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.76_0.19", "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 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.602406784538676, "binding_energy_gs": 12.757296178906525, "distance": 2.205375000000009}


unique_id: 2515d893f08265946584a1e227f2e714
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.04_0.25", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz--0.04_0.25", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.04_0.25", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.591754310489737, "binding_energy_gs": 12.746677474342587, "distance": 2.1919720727386895}


unique_id: b170b32b1376ae27e066e194bcc7729f
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.97_0.54", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz--0.97_0.54", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.97_0.54", "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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.585508688689636, "binding_energy_gs": 12.740107631419352, "distance": 2.23147207273869}


unique_id: b652ebb71ec92151f1bf1ccab3dcc89c
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.31_-0.48", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1--0.31_-0.48", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.31_-0.48", "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 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.5092866182212, "binding_energy_gs": 12.66428245809349, "distance": 2.36337500000001}


unique_id: 8e5dffd404a160163052ea38d93cc173
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.3_0.29", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz-0.3_0.29", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.3_0.29", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.462843351537593, "binding_energy_gs": 12.618065663735884, "distance": 2.211722072738688}


unique_id: 5b452ee22cdc21b38fb2bcf2929e239e
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.64_0.05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz--0.64_0.05", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.64_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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.44028876867382, "binding_energy_gs": 12.595172605118524, "distance": 2.211722072738688}


unique_id: 1dda106474d8fb6011762b84f7cad23b
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1-0.51_0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1-0.51_0.08", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1-0.51_0.08", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.413946816423785, "binding_energy_gs": 12.568919091816564, "distance": 2.1955000000000116}


unique_id: aa1cede1d650bd2901f8f9b48dfcd2c2
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz-0.78_0.18", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz-0.78_0.18", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz-0.78_0.18", "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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.353759421633, "binding_energy_gs": 12.508712428413208, "distance": 2.23147207273869}


unique_id: 4f4eb3ee68389a4cd6497a8c8914c3eb
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1--0.27_0.64", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2--1_0_0_-1--0.27_0.64", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1--0.27_0.64", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.343335932061965, "binding_energy_gs": 12.498288313815593, "distance": 2.1955000000000116}


unique_id: 200e69c2af77c92841a6e22957a044b0
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.19_0.19", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz--0.19_0.19", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.19_0.19", "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 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.212550374161108, "binding_energy_gs": 12.367467535555775, "distance": 2.3499720727386872}


unique_id: d60917b99dd54524a128dffd53ae1bc6
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.62_0.77", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz-0.62_0.77", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.62_0.77", "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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.197086531007898, "binding_energy_gs": 12.35188341388189, "distance": 2.1919720727386895}


unique_id: 4a5dd695025d1a42e058debb32d489c9
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1-0.14_-0.34", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1-0.14_-0.34", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1-0.14_-0.34", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.15840624236397, "binding_energy_gs": 12.313221018831047, "distance": 2.1955000000000116}


unique_id: 4d4f29c26f9fa7f4e413ad92a53a3ac8
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.14_-0.66", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1--0.14_-0.66", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.14_-0.66", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.072229037099365, "binding_energy_gs": 12.227182053050171, "distance": 2.3041250000000115}


unique_id: ff7a4178cfd397a5a743c6d75444f772
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1--0.5_-0.52", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2--1_0_0_-1--0.5_-0.52", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1--0.5_-0.52", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 19.07043107839898, "binding_energy_gs": 12.225415411105061, "distance": 2.284375000000008}


unique_id: a0a80f7a6322be9b544c64be28955b0b
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.21_0.05", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz--0.21_0.05", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.21_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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.956041679050543, "binding_energy_gs": 12.110484187152435, "distance": 2.369722072738691}


unique_id: f8f73d8b4837206fa9dd881d7c2b88c2
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.92_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1--0.92_0.33", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.92_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 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.92261383348832, "binding_energy_gs": 12.07758829948515, "distance": 2.294250000000009}


unique_id: 5362141a0c0fc2252807d96f2d1b2725
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.39_-0.04", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz--0.39_-0.04", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.39_-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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.921066837157955, "binding_energy_gs": 12.075898705058778, "distance": 2.2512220727386882}


unique_id: e4de904942c8fa29021882443e9178f5
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.47_-0.47", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz-0.47_-0.47", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.47_-0.47", "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 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.872103597987255, "binding_energy_gs": 12.026959379101763, "distance": 2.152472072738691}


unique_id: 14600dff1f1ab4d9488b8e6e0cfc6c4c
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.89_-0.13", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz--0.89_-0.13", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.89_-0.13", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.861726857256023, "binding_energy_gs": 12.01647172214779, "distance": 2.2512220727386882}


unique_id: 512a26e42c5e468cfe7173368bf1bec2
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.14_0.89", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz-0.14_0.89", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.14_0.89", "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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.854523994729878, "binding_energy_gs": 12.006245733215748, "distance": 2.221597072738689}


unique_id: 383fb6e9d05084688f3c720a5aefef61
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.45_-0.14", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz--0.45_-0.14", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.45_-0.14", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.836689198049083, "binding_energy_gs": 11.991650192890296, "distance": 2.2808470727386894}


unique_id: 2c9db9ef91085478ebbc60f95c4e139f
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.16_-0.06", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz--0.16_-0.06", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.16_-0.06", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.72022201962725, "binding_energy_gs": 11.875039449218457, "distance": 2.211722072738688}


unique_id: fd01884c7f73f97ba8336a30ca486050
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.17_0.18", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1--0.17_0.18", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.17_0.18", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.682046541276915, "binding_energy_gs": 11.837136269191559, "distance": 2.2646250000000094}


unique_id: 209d48fcf70bd91fc43c728ab9f710b1
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.03_0.03", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz--0.03_0.03", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.03_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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.575951818793452, "binding_energy_gs": 11.730159170053563, "distance": 2.2709720727386884}


unique_id: 141b06633c52044b359b3cc437d184a4
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz-0.38_0.38", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz-0.38_0.38", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz-0.38_0.38", "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 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.568848608190216, "binding_energy_gs": 11.724036882761702, "distance": 2.4190970727386887}


unique_id: 25603ea6aa91e0dc164b9817230bad6a
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1--0.75_0.75", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2--1_0_0_-1--0.75_0.75", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1--0.75_0.75", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.56867856131286, "binding_energy_gs": 11.723522827804576, "distance": 2.314000000000007}


unique_id: e64e05384678587bd2d878746d017c99
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz-0.63_-0.27", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz-0.63_-0.27", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz-0.63_-0.27", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.52493745896716, "binding_energy_gs": 11.679388423619763, "distance": 2.2709720727386884}


unique_id: e3a8b162fdacc65395a1baf07f4ad68e
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.29_0.06", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz--0.29_0.06", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.29_0.06", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.303206942976455, "binding_energy_gs": 11.459313155621372, "distance": 2.3203470727386897}


unique_id: 8452f29be039864ea94c499cd9f51e54
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.22_-0.22", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz--0.22_-0.22", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.22_-0.22", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.2799386464427, "binding_energy_gs": 11.434837858047322, "distance": 2.261097072738691}


unique_id: 347874f74091079a1fbdbca7b1e2166f
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1-0.03_-0.26", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1-0.03_-0.26", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1-0.03_-0.26", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.22474327786845, "binding_energy_gs": 11.37953690326677, "distance": 2.333750000000011}


unique_id: ea03fa7c801fd43054c1981394166afd
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1-Iz-0.17_0.53", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2--1_0_0_-1-Iz-0.17_0.53", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1-Iz-0.17_0.53", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.17843950644995, "binding_energy_gs": 11.332137646152656, "distance": 2.2907220727386903}


unique_id: 8e898a7d4a12f6e3219c30c09f7c3340
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.3_0.89", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz--0.3_0.89", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.3_0.89", "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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.176523171314884, "binding_energy_gs": 11.331228969879945, "distance": 2.2907220727386903}


unique_id: b1ee18b9048752f1b03798f4b56b1cad
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.07_-0.27", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz-0.07_-0.27", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.07_-0.27", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.05812257273806, "binding_energy_gs": 11.212536314248654, "distance": 2.330222072738689}


unique_id: 93ff4be1280e8293318c99b0c888462b
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.73_-0.07", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1--0.73_-0.07", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.73_-0.07", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.945532631604912, "binding_energy_gs": 11.100411778673866, "distance": 2.294250000000009}


unique_id: 56f9edbc2b664e40803f4db9f6a3a6e9
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.03_0.26", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1--0.03_0.26", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.03_0.26", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.791874065422004, "binding_energy_gs": 10.946369434774134, "distance": 2.393000000000008}


unique_id: fdb818b3b1fbcc1d65cabc2bb06fbf20
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.63_0.2", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz--0.63_0.2", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz--0.63_0.2", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.738533049851654, "binding_energy_gs": 10.893375046213446, "distance": 2.44872207273869}


unique_id: 9b0b48ed2fcfd08641f70790fcdc027f
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.71_0.51", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz--0.71_0.51", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.71_0.51", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.6651997423384, "binding_energy_gs": 10.820421450841074, "distance": 2.330222072738689}


unique_id: d91e0894c07254e821d38b038ce8290b
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.64_-0.74", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1--0.64_-0.74", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.64_-0.74", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.493398862605748, "binding_energy_gs": 10.648163384736558, "distance": 2.4522500000000083}


unique_id: 21151f938bed34ca4da137c3aac9f396
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1-0.17_-0.18", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1-0.17_-0.18", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1-0.17_-0.18", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.481028440888483, "binding_energy_gs": 10.634704386088055, "distance": 2.3535000000000093}


unique_id: 87e5a2b33fe0531a7e749c9c37b0e9a3
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz-0.27_0.1", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz-0.27_0.1", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz-0.27_0.1", "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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.205313752225027, "binding_energy_gs": 10.359402469981239, "distance": 2.468472072738688}


unique_id: 1ce8ffeef4bad827ca578877da537251
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.41_0.41", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-1_0_0_1--0.41_0.41", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-1_0_0_1--0.41_0.41", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.15280883401869, "binding_energy_gs": 10.307791002216302, "distance": 2.570750000000009}


unique_id: f48d9bba6a220527c23d52e5e17869b2
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.4_-0.4", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz-0.4_-0.4", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.4_-0.4", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.14573731027791, "binding_energy_gs": 10.300313980123768, "distance": 2.369722072738691}


unique_id: 81a1754910e236fe4b1009f25b7deece
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1-0.17_0.53", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2--1_0_0_-1-0.17_0.53", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1-0.17_0.53", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.934726704523086, "binding_energy_gs": 10.089706247453654, "distance": 2.442375000000011}


unique_id: c3f20d619306f856b5bab7b6e85e210e
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.63_-0.17", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz--0.63_-0.17", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.63_-0.17", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.551873669753633, "binding_energy_gs": 9.703596502774797, "distance": 2.5277220727386887}


unique_id: 4ffc7bbe75966e3dd8ffcf2bc3eb81b0
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz-0.22_0.22", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_-1_-1_0-Iz-0.22_0.22", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_-1_-1_0-Iz-0.22_0.22", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.233548231443216, "binding_energy_gs": 9.389743959713092, "distance": 2.626472072738686}


unique_id: dfa733154611b303080332b87884c561
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.78_0.78", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz--0.78_0.78", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz--0.78_0.78", "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 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.076974711704285, "binding_energy_gs": 9.231379813243217, "distance": 2.567222072738687}


unique_id: 1321ad55ee1c24590a4dfc4f9484d553
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.33_-0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2-0_1_1_0-Iz-0.33_-0.3", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2-0_1_1_0-Iz-0.33_-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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 15.772421754747937, "binding_energy_gs": 8.927546225657045, "distance": 2.5968470727386865}


unique_id: b6fbc5a4fb1900cba75ca390432a7f70
username: jensj
key_value_pairs:
  {"uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1--1.0_0.56", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2F6/ReCu2F6-9c6f35d960fb/Cu2F6Re-2--1_0_0_-1--1.0_0.56", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2F6-9c6f35d960fb", "bilayer_uid": "ReCu2F6-9c6f35d960fb-2--1_0_0_-1--1.0_0.56", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 4, "layer_group": "p11m", "space_group_number": 6, "space_group": "Pm", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 15.299258331030485, "binding_energy_gs": 8.455110506144097, "distance": 2.669500000000008}


unique_id: a82df0f15b96c9ec787945ade4a0506c
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 1 3 3 3 3 3 3]", "has_inversion_symmetry": true, "magnetic": true, "ehull": 0.0881888331110107, "dynamically_stable": "Yes", "gap_pbe": 0.284, "gap_pbe_dir": 0.311, "gap_pbe_nosoc": 0.579, "gap_pbe_dir_nosoc": 0.589, "dipz": 0.0}


unique_id: ff3ce180561517d233e78c099399934a
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-0.67_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-1_0_0_1-0.67_0.33", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-0.67_0.33", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 2 1 6 6 6 3 3 3]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.278, "gap_pbe_dir": 0.317, "gap_pbe_nosoc": 0.548, "gap_pbe_dir_nosoc": 0.549, "dipz": 0.001, "interlayer_magnetic_exchange": 0.010491928946727569, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 27.712694532855437, "binding_energy_gs": 15.624250261623772, "distance": 3.4101250000000007}


unique_id: 8b1e4a2dfe588a5fe8cb9cacfce86617
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-0.33_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-1_0_0_1-0.33_0.67", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-0.33_0.67", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 2 1 6 6 6 3 3 3]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.288, "gap_pbe_dir": 0.323, "gap_pbe_nosoc": 0.566, "gap_pbe_dir_nosoc": 0.567, "dipz": 0.001, "interlayer_magnetic_exchange": 0.019793522791360374, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 27.329060993337215, "binding_energy_gs": 15.24078475979481, "distance": 3.469375000000001}


unique_id: f03134f4c7baae8400c2535639d8aa5d
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz-0.26_0.59", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_-1_-1_0-Iz-0.26_0.59", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz-0.26_0.59", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  3  3  3  6  6  6  9 10 11 12 12 12 15 15 15]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.267, "gap_pbe_dir": 0.305, "gap_pbe_nosoc": 0.541, "gap_pbe_dir_nosoc": 0.542, "dipz": 0.005, "interlayer_magnetic_exchange": 0.013615829967804416, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 27.314205179028626, "binding_energy_gs": 15.22597532479893, "distance": 3.4512800758480395}


unique_id: a030f9c7b8cf2b25f97f80c727ed8fa1
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2--1_0_0_-1-0.7_0.54", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2--1_0_0_-1-0.7_0.54", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2--1_0_0_-1-0.7_0.54", "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": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 26.761114501591926, "binding_energy_gs": 14.672807548297632, "distance": 3.5187500000000043}


unique_id: 86f064d4d28c7c5f9a926cbc0604bd69
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_1_1_0-Iz-0.38_0.23", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_1_1_0-Iz-0.38_0.23", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_1_1_0-Iz-0.38_0.23", "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": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 26.719216876154434, "binding_energy_gs": 14.63029180495793, "distance": 3.5204050758480427}


unique_id: 80edf5dc3083d946704f2ccefe620a97
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz-0.62_0.62", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_-1_-1_0-Iz-0.62_0.62", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz-0.62_0.62", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 10, "layer_group": "c211", "space_group_number": 5, "space_group": "C2", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 26.663810203153552, "binding_energy_gs": 14.575685560556709, "distance": 3.5401550758480393}


unique_id: fa16e329afa1e576e0b76b5ed220f0b6
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-0.7_0.69", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-1_0_0_1-0.7_0.69", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-0.7_0.69", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 26.6229899163674, "binding_energy_gs": 14.535080917147981, "distance": 3.5483750000000036}


unique_id: 83f559998ccc435ecac189e16696ad50
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2--1_0_0_-1-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2--1_0_0_-1-Iz-0.29_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2--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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 26.443895584699717, "binding_energy_gs": 14.35558112039347, "distance": 3.5599050758480395}


unique_id: dc9fabab463b8e798d580276170dbe5c
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_1_1_0-Iz-0.46_0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_1_1_0-Iz-0.46_0.31", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_1_1_0-Iz-0.46_0.31", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 26.416206998993786, "binding_energy_gs": 14.327482858471972, "distance": 3.5599050758480395}


unique_id: 9bdac79be5005a6d03cfca0f9d948d07
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2--1_0_0_-1-0.39_0.24", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2--1_0_0_-1-0.39_0.24", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2--1_0_0_-1-0.39_0.24", "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": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 26.336853916840965, "binding_energy_gs": 14.248327473150226, "distance": 3.5582499999999992}


unique_id: 32bbc08760a2ff318c534b5406f6b020
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1--0.39_-0.39", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-1_0_0_1--0.39_-0.39", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1--0.39_-0.39", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 26.25025658649759, "binding_energy_gs": 14.162053577814781, "distance": 3.578000000000003}


unique_id: dbd3f62fd028d586b01f36f7572f70b8
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz--0.46_-0.46", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_-1_-1_0-Iz--0.46_-0.46", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz--0.46_-0.46", "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 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 26.184724690275953, "binding_energy_gs": 14.096568257557777, "distance": 3.5796550758480397}


unique_id: b9a704d0d9c5675addc708329335d942
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz-0.92_0.92", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_-1_-1_0-Iz-0.92_0.92", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz-0.92_0.92", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 67, "layer_group": "p312", "space_group_number": 149, "space_group": "P312", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 1 2 3 3 3 6 6 6]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.283, "gap_pbe_dir": 0.316, "gap_pbe_nosoc": 0.548, "gap_pbe_dir_nosoc": 0.548, "dipz": -0.0, "interlayer_magnetic_exchange": 0.027596678481401682, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 26.123318042931402, "binding_energy_gs": 14.034734558071595, "distance": 3.550030075848042}


unique_id: 1eaf4424ec3c28336b6d1c4ca34c7180
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2--1_0_0_-1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2--1_0_0_-1-Iz-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2--1_0_0_-1-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 25.980677794361803, "binding_energy_gs": 13.891891656276353, "distance": 3.6191550758480417}


unique_id: 18b375b3c21df9d40bc6e727af26db34
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_-1_-1_0-0.79_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 25.86686289092374, "binding_energy_gs": 13.778437865457123, "distance": 3.6175000000000015}


unique_id: 37a37f6e148def18fda6ef354e4849f9
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-1_0_0_1-0_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 66, "layer_group": "p-3", "space_group_number": 147, "space_group": "P-3", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 2 1 6 6 6 3 3 3]", "has_inversion_symmetry": true, "magnetic": true, "gap_pbe": 0.29, "gap_pbe_dir": 0.318, "gap_pbe_nosoc": 0.553, "gap_pbe_dir_nosoc": 0.554, "dipz": 0.001, "interlayer_magnetic_exchange": 0.025564529548255166, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.769839117891397, "binding_energy_gs": 13.681542936158232, "distance": 3.568125}


unique_id: 7aa88a6c60b95d231ccd55b6b2e40885
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-1_0_0_1-Iz-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-1_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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 25.622025471422646, "binding_energy_gs": 13.533672949311635, "distance": 3.648780075848041}


unique_id: 32ceedb542115a61ada749379998dbf0
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_1_1_0-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_1_1_0-0.29_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_1_1_0-0.29_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": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 25.327693468807055, "binding_energy_gs": 13.239552010796999, "distance": 3.657000000000002}


unique_id: b8b7c1ad2ed1605f4d6c56cb984cb8cd
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_-1_-1_0-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 25.16677171824012, "binding_energy_gs": 13.078129334240314, "distance": 3.696500000000002}


unique_id: b0f8dc08a3df3f9d66a9da90760fbd4e
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-Iz-0.68_0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-1_0_0_1-Iz-0.68_0.68", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-Iz-0.68_0.68", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.273, "gap_pbe_dir": 0.303, "gap_pbe_nosoc": 0.534, "gap_pbe_dir_nosoc": 0.534, "dipz": -0.002, "interlayer_magnetic_exchange": 0.016547703406736503, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.153290298280282, "binding_energy_gs": 14.72913995483372, "distance": 3.5154675758480405}


unique_id: 6f9eabbb8807b31c112cd64d617bd591
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2--1_0_0_-1-0.68_0.53", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2--1_0_0_-1-0.68_0.53", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2--1_0_0_-1-0.68_0.53", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.274, "gap_pbe_dir": 0.304, "gap_pbe_nosoc": 0.534, "gap_pbe_dir_nosoc": 0.534, "dipz": -0.001, "interlayer_magnetic_exchange": 0.0165307790203002, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.151217321592416, "binding_energy_gs": 14.726900334239275, "distance": 3.513812500000002}


unique_id: 2ba4e26bfc6b19ece89e9de825ffb66f
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-Iz-0.33_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-1_0_0_1-Iz-0.33_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-Iz-0.33_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.272, "gap_pbe_dir": 0.304, "gap_pbe_nosoc": 0.533, "gap_pbe_dir_nosoc": 0.533, "dipz": -0.002, "interlayer_magnetic_exchange": 0.01672312416454247, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.15039295251263, "binding_energy_gs": 14.726196654426053, "distance": 3.51053007584804}


unique_id: 4c2fe0e2c5cf8a8d97d96b57ad5cf8e7
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_1_1_0-Iz-0.4_0.26", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_1_1_0-Iz-0.4_0.26", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_1_1_0-Iz-0.4_0.26", "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": true, "gap_pbe": 0.281, "gap_pbe_dir": 0.303, "gap_pbe_nosoc": 0.531, "gap_pbe_dir_nosoc": 0.532, "dipz": 0.002, "interlayer_magnetic_exchange": 0.016777381301196215, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.147458960530024, "binding_energy_gs": 14.723341873839136, "distance": 3.511764450848041}


unique_id: 786ce44441f7fc926cbf9c04ae88a51c
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-0.93_0.6", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_-1_-1_0-0.93_0.6", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-0.93_0.6", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.279, "gap_pbe_dir": 0.303, "gap_pbe_nosoc": 0.529, "gap_pbe_dir_nosoc": 0.532, "dipz": 0.003, "interlayer_magnetic_exchange": 0.016801176300887732, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.145354212968765, "binding_energy_gs": 14.72137258231353, "distance": 3.5113437500000035}


unique_id: 572afaf6d5599c8e4d2e60acf7d29b1e
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-0.59_-0.09", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_-1_-1_0-0.59_-0.09", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-0.59_-0.09", "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": true, "gap_pbe": 0.269, "gap_pbe_dir": 0.304, "gap_pbe_nosoc": 0.529, "gap_pbe_dir_nosoc": 0.532, "dipz": 0.003, "interlayer_magnetic_exchange": 0.016625384880320837, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.13983955945315, "binding_energy_gs": 14.715748666355523, "distance": 3.515046875000003}


unique_id: 49bcad04e261e2779635ba42028c46e4
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1--0.34_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-1_0_0_1--0.34_-0.33", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1--0.34_-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 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 25.085818970700995, "binding_energy_gs": 14.661744990779631, "distance": 3.537265625000005}


unique_id: de3a624638cceb641a56db1823f25770
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-0.66_0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-1_0_0_1-0.66_0.67", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-1_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 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 25.083662333285435, "binding_energy_gs": 14.660453726740618, "distance": 3.537265625000005}


unique_id: 6a9e1a14c2c8e6400c1bcd169e78295b
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz--0.4_-0.41", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_-1_-1_0-Iz--0.4_-0.41", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz--0.4_-0.41", "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 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.274, "gap_pbe_dir": 0.297, "gap_pbe_nosoc": 0.546, "gap_pbe_dir_nosoc": 0.548, "dipz": -0.0, "interlayer_magnetic_exchange": 0.01727108586879922, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.078129811525532, "binding_energy_gs": 14.65318026107115, "distance": 3.5401550758480393}


unique_id: 812a31e6b74ba4866010409a1d3a3385
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz-0.59_0.59", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_-1_-1_0-Iz-0.59_0.59", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz-0.59_0.59", "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 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "gap_pbe": 0.274, "gap_pbe_dir": 0.297, "gap_pbe_nosoc": 0.546, "gap_pbe_dir_nosoc": 0.547, "dipz": -0.0, "interlayer_magnetic_exchange": 0.01745040031433831, "interlayer_magnetic_state": "AFM", "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 25.07603036174248, "binding_energy_gs": 14.651924202735644, "distance": 3.537686325848041}


unique_id: 6330bd5443278b086cec69aaf7c9d1b7
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-1_0_0_1-Iz-0.79_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 25.002086682443675, "binding_energy_gs": 12.91369792822768, "distance": 3.7179050758480408}


unique_id: ccedd23978c9ca5149753fe455044bbe
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-1_0_0_1-0.79_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 24.517819087570448, "binding_energy_gs": 12.429583084747165, "distance": 3.775500000000001}


unique_id: bd55a7a33dd809e31a1867c4e398e3f9
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2--1_0_0_-1-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 24.229444309323128, "binding_energy_gs": 12.141312154638301, "distance": 3.8149999999999995}


unique_id: 4128e2d61381a8eb15e0d0b8532a6c60
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-1_0_0_1-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 23.879358141365717, "binding_energy_gs": 11.791144185727193, "distance": 3.87425}


unique_id: 2763cd6252d38870f3cf133123482f4b
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_-1_-1_0-Iz-0.79_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz-0.79_0.58", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 23.526156369098164, "binding_energy_gs": 11.438091346464637, "distance": 3.9154050758480388}


unique_id: de9ea8c27ff1d7b7d9f3dda7dcfda7d9
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_-1_-1_0-Iz-0.5_0", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 1, "layer_group": "p1", "space_group_number": 1, "space_group": "P1", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11 12 13 14 15 16 17]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 23.47771425236952, "binding_energy_gs": 11.39070327863996, "distance": 3.925280075848038}


unique_id: 345299cf5b0be39c5ff7be90e861187c
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_1_1_0-Iz-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_1_1_0-Iz-0.29_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_1_1_0-Iz-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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 23.462967757853033, "binding_energy_gs": 11.374590150510084, "distance": 3.9549050758480373}


unique_id: f2596cc3d2a796cd519dce155c1f3921
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2--1_0_0_-1-0.29_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2--1_0_0_-1-0.29_0.58", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2--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": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 23.139962876721718, "binding_energy_gs": 11.051882860149773, "distance": 3.9927499999999974}


unique_id: 1c4ba314d63e5246cbc95354b4cc1dec
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_1_1_0-Iz-0.41_0.59", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_1_1_0-Iz-0.41_0.59", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_1_1_0-Iz-0.41_0.59", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 1 2 3 3 3 6 6 6]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.842647775762234, "binding_energy_gs": 10.754206941228363, "distance": 4.053655075848036}


unique_id: 7030cd35918d4f30d56b39b56160b087
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_1_1_0-Iz-0.74_0.26", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_1_1_0-Iz-0.74_0.26", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_1_1_0-Iz-0.74_0.26", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 1 2 3 3 3 6 6 6]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.82974967227225, "binding_energy_gs": 10.740016072788839, "distance": 4.043780075848039}


unique_id: 67b896ad34d9a19be9e15576d8cbada9
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2--1_0_0_-1-0.67_0.18", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2--1_0_0_-1-0.67_0.18", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2--1_0_0_-1-0.67_0.18", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 65, "layer_group": "p3", "space_group_number": 143, "space_group": "P3", "equivalent_atoms": "[ 0  1  2  3  3  3  6  6  6  9 10 11 12 12 12 15 15 15]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.75350810201718, "binding_energy_gs": 10.665212239844825, "distance": 4.051999999999998}


unique_id: 1138ba0b92a8d408d62026a2035c6764
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-0.39_0.39", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-1_0_0_1-0.39_0.39", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-0.39_0.39", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 2, "layer_group": "p-1", "space_group_number": 2, "space_group": "P-1", "equivalent_atoms": "[0 1 2 3 4 5 6 7 8 0 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.657402544583483, "binding_energy_gs": 10.569163910459176, "distance": 4.061875000000001}


unique_id: 479498fa1146c74cad17ee2732a54590
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz-0.31_0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_-1_-1_0-Iz-0.31_0.31", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz-0.31_0.31", "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 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.620583513633964, "binding_energy_gs": 10.532296470123054, "distance": 4.063530075848037}


unique_id: e073c83fba7b6bac3f43d62ef69fce29
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz-0.23_0.23", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_-1_-1_0-Iz-0.23_0.23", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_-1_-1_0-Iz-0.23_0.23", "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 0 1 2 3 4 5 6 7 8]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.560658316366375, "binding_energy_gs": 10.472156981821751, "distance": 4.07340507584804}


unique_id: 72ae51ce918d92b90d0b12788bac5700
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-0.3_0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-1_0_0_1-0.3_0.31", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-1_0_0_1-0.3_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 2 1 6 7 8 3 4 5]", "has_inversion_symmetry": true, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.540096279218872, "binding_energy_gs": 10.45168144366259, "distance": 4.07175}


unique_id: 533efa35023bb52eb13692a1585ba3ed
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2--1_0_0_-1-1.0_0.85", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2--1_0_0_-1-1.0_0.85", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2--1_0_0_-1-1.0_0.85", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 74, "layer_group": "p-6", "space_group_number": 174, "space_group": "P-6", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 2 1 6 6 6 3 3 3]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 22.078618754239507, "binding_energy_gs": 9.990511901195928, "distance": 4.131}


unique_id: 831e7cc97e4840942ab57d5ec243e590
username: jensj
key_value_pairs:
  {"uid": "ReCu2I6-ec359e53fb49-2-0_1_1_0-Iz-0.08_-0.08", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-main/tree-UJ/AB2C6/ReCu2I6/ReCu2I6-ec359e53fb49/Cu2I6Re-2-0_1_1_0-Iz-0.08_-0.08", "stoichiometry": "AB2C6", "monolayer_uid": "ReCu2I6-ec359e53fb49", "bilayer_uid": "ReCu2I6-ec359e53fb49-2-0_1_1_0-Iz-0.08_-0.08", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 3 3 3 6 6 6 0 1 2 3 3 3 6 6 6]", "has_inversion_symmetry": false, "magnetic": true, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 21.94604935100767, "binding_energy_gs": 9.857735151631017, "distance": 4.142530075848038}


unique_id: 7b9e20c77702aacceefa01e0f6cf2e61
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Al2Br6-d185cf10e109", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlBr3/Al2Br6-d185cf10e109", "stoichiometry": "AB3", "monolayer_uid": "Al2Br6-d185cf10e109", "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": false, "ehull": 0.009981767931253938, "dynamically_stable": "Yes", "gap_pbe": 3.896, "gap_pbe_dir": 3.907, "gap_pbe_nosoc": 4.04, "gap_pbe_dir_nosoc": 4.04, "dipz": -0.0}


unique_id: 2d02732fc1133b27012e89611bf6e43e
username: jensj
key_value_pairs:
  {"uid": "Al2Br6-d185cf10e109-2-1_0_0_1-0_-0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlBr3/Al2Br6-d185cf10e109/Al2Br6-2-1_0_0_1-0_-0.68", "stoichiometry": "AB3", "monolayer_uid": "Al2Br6-d185cf10e109", "bilayer_uid": "Al2Br6-d185cf10e109-2-1_0_0_1-0_-0.68", "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": 3.767, "gap_pbe_dir": 3.779, "gap_pbe_nosoc": 3.83, "gap_pbe_dir_nosoc": 3.884, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 11.230499004535972, "binding_energy_gs": 10.647701777002759, "distance": 3.4157382321986365}


unique_id: 24ee1803c7dcc5a341b5feee602c842b
username: jensj
key_value_pairs:
  {"uid": "Al2Br6-d185cf10e109-2-1_-1_1_0-0_-0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlBr3/Al2Br6-d185cf10e109/Al2Br6-2-1_-1_1_0-0_-0.32", "stoichiometry": "AB3", "monolayer_uid": "Al2Br6-d185cf10e109", "bilayer_uid": "Al2Br6-d185cf10e109-2-1_-1_1_0-0_-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  0  2  2  4  5  5  7  8  8 10 11 10 13 14 13]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 3.781, "gap_pbe_dir": 3.781, "gap_pbe_nosoc": 3.868, "gap_pbe_dir_nosoc": 3.9, "dipz": 0.002, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 11.193843724182765, "binding_energy_gs": 10.611057987054949, "distance": 3.4229562290672675}


unique_id: 5557ba12c27348ca65bd9c7e87b11172
username: jensj
key_value_pairs:
  {"uid": "Al2Br6-d185cf10e109-2-1_0_0_1-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlBr3/Al2Br6-d185cf10e109/Al2Br6-2-1_0_0_1-0.33_-0.33", "stoichiometry": "AB3", "monolayer_uid": "Al2Br6-d185cf10e109", "bilayer_uid": "Al2Br6-d185cf10e109-2-1_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": false, "gap_pbe": 3.745, "gap_pbe_dir": 3.745, "gap_pbe_nosoc": 3.889, "gap_pbe_dir_nosoc": 3.93, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 11.047667543448387, "binding_energy_gs": 10.779151043108893, "distance": 3.396891815723688}


unique_id: 30d99966d48743051bde50b5343b588d
username: jensj
key_value_pairs:
  {"uid": "Al2Br6-d185cf10e109-2-1_0_0_1-0.03_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlBr3/Al2Br6-d185cf10e109/Al2Br6-2-1_0_0_1-0.03_-0.67", "stoichiometry": "AB3", "monolayer_uid": "Al2Br6-d185cf10e109", "bilayer_uid": "Al2Br6-d185cf10e109-2-1_0_0_1-0.03_-0.67", "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, "gap_pbe": 3.767, "gap_pbe_dir": 3.78, "gap_pbe_nosoc": 3.832, "gap_pbe_dir_nosoc": 3.886, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 10.875029072341944, "binding_energy_gs": 10.606524341040478, "distance": 3.4245819424020834}


unique_id: d186afca5316df4d1fccfe5330a7943c
username: jensj
key_value_pairs:
  {"uid": "Al2Br6-d185cf10e109-2-1_-1_1_0-0.03_-0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlBr3/Al2Br6-d185cf10e109/Al2Br6-2-1_-1_1_0-0.03_-0.31", "stoichiometry": "AB3", "monolayer_uid": "Al2Br6-d185cf10e109", "bilayer_uid": "Al2Br6-d185cf10e109-2-1_-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": false, "gap_pbe": 3.781, "gap_pbe_dir": 3.781, "gap_pbe_nosoc": 3.869, "gap_pbe_dir_nosoc": 3.904, "dipz": 0.002, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 10.851328192655224, "binding_energy_gs": 10.582824430616148, "distance": 3.4245819424020834}


unique_id: 7e456a0e614b111ad9e72b89de52bbb0
username: jensj
key_value_pairs:
  {"uid": "Al2Br6-d185cf10e109-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlBr3/Al2Br6-d185cf10e109/Al2Br6-2-1_0_0_1-0_0", "stoichiometry": "AB3", "monolayer_uid": "Al2Br6-d185cf10e109", "bilayer_uid": "Al2Br6-d185cf10e109-2-1_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": false, "gap_pbe": 3.701, "gap_pbe_dir": 3.701, "gap_pbe_nosoc": 3.793, "gap_pbe_dir_nosoc": 3.876, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 10.360698764628754, "binding_energy_gs": 10.092190755208042, "distance": 3.498422280211143}


unique_id: dd34b1f02918cc67f41669ff57f68a30
username: jensj
key_value_pairs:
  {"uid": "Al2Br6-d185cf10e109-2-1_-1_1_0-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlBr3/Al2Br6-d185cf10e109/Al2Br6-2-1_-1_1_0-0.33_-0.33", "stoichiometry": "AB3", "monolayer_uid": "Al2Br6-d185cf10e109", "bilayer_uid": "Al2Br6-d185cf10e109-2-1_-1_1_0-0.33_-0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 3.79, "gap_pbe_dir": 3.79, "gap_pbe_nosoc": 3.931, "gap_pbe_dir_nosoc": 3.972, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 8.530338070102676, "binding_energy_gs": 8.26181419941242, "distance": 3.858393927030299}


unique_id: 2d89ba61b1a6bac17110a331c09a5943
username: jensj
key_value_pairs:
  {"uid": "Al2Br6-d185cf10e109-2-1_0_0_1-0.31_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlBr3/Al2Br6-d185cf10e109/Al2Br6-2-1_0_0_1-0.31_0.33", "stoichiometry": "AB3", "monolayer_uid": "Al2Br6-d185cf10e109", "bilayer_uid": "Al2Br6-d185cf10e109-2-1_0_0_1-0.31_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, "gap_pbe": 3.798, "gap_pbe_dir": 3.798, "gap_pbe_nosoc": 3.919, "gap_pbe_dir_nosoc": 3.968, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 8.501338657410283, "binding_energy_gs": 8.232830048477819, "distance": 3.8676239692564316}


unique_id: 4fd667b66fff3731ce63cded5f2feb9f
username: jensj
key_value_pairs:
  {"uid": "Al2Br6-d185cf10e109-2-1_-1_1_0-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlBr3/Al2Br6-d185cf10e109/Al2Br6-2-1_-1_1_0-0_0", "stoichiometry": "AB3", "monolayer_uid": "Al2Br6-d185cf10e109", "bilayer_uid": "Al2Br6-d185cf10e109-2-1_-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, "gap_pbe": 3.779, "gap_pbe_dir": 3.779, "gap_pbe_nosoc": 3.89, "gap_pbe_dir_nosoc": 3.903, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 8.318310348156157, "binding_energy_gs": 8.04979491195657, "distance": 3.9045441381609596}


unique_id: 862da29e30f1f1116887bc6f7ffd0608
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Al2Cl6-b8b35ca6154e", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlCl3/Al2Cl6-b8b35ca6154e", "stoichiometry": "AB3", "monolayer_uid": "Al2Cl6-b8b35ca6154e", "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": false, "cod_id": 1535669, "icsd_id": 39566, "ehull": 0.0, "dynamically_stable": "Yes", "gap_pbe": 5.49, "gap_pbe_dir": 5.498, "gap_pbe_nosoc": 5.493, "gap_pbe_dir_nosoc": 5.501, "dipz": -0.0}


unique_id: 1b87d06b73da29ebd3cd3cc366cc9e9d
username: jensj
key_value_pairs:
  {"uid": "Al2Cl6-b8b35ca6154e-2-1_0_0_1-0_-0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlCl3/Al2Cl6-b8b35ca6154e/Al2Cl6-2-1_0_0_1-0_-0.68", "stoichiometry": "AB3", "monolayer_uid": "Al2Cl6-b8b35ca6154e", "bilayer_uid": "Al2Cl6-b8b35ca6154e-2-1_0_0_1-0_-0.68", "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, "cod_id": 1535669, "icsd_id": 39566, "gap_pbe": 5.332, "gap_pbe_dir": 5.367, "gap_pbe_nosoc": 5.335, "gap_pbe_dir_nosoc": 5.37, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 10.244530333197169, "binding_energy_gs": 9.588176791680525, "distance": 3.3019755164444486}


unique_id: ab38fb899c377719e4e05821c27260ca
username: jensj
key_value_pairs:
  {"uid": "Al2Cl6-b8b35ca6154e-2-1_-1_1_0-0_-0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlCl3/Al2Cl6-b8b35ca6154e/Al2Cl6-2-1_-1_1_0-0_-0.32", "stoichiometry": "AB3", "monolayer_uid": "Al2Cl6-b8b35ca6154e", "bilayer_uid": "Al2Cl6-b8b35ca6154e-2-1_-1_1_0-0_-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  0  2  2  4  5  5  7  8  8 10 11 10 13 14 13]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1535669, "icsd_id": 39566, "gap_pbe": 5.363, "gap_pbe_dir": 5.388, "gap_pbe_nosoc": 5.366, "gap_pbe_dir_nosoc": 5.391, "dipz": 0.001, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 10.214703347151524, "binding_energy_gs": 9.55834040566166, "distance": 3.3148825915169393}


unique_id: 65357c5a0f80d7e5fcfb80c30373cafe
username: jensj
key_value_pairs:
  {"uid": "Al2Cl6-b8b35ca6154e-2-1_0_0_1-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlCl3/Al2Cl6-b8b35ca6154e/Al2Cl6-2-1_0_0_1-0.33_-0.33", "stoichiometry": "AB3", "monolayer_uid": "Al2Cl6-b8b35ca6154e", "bilayer_uid": "Al2Cl6-b8b35ca6154e-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": false, "cod_id": 1535669, "icsd_id": 39566, "gap_pbe": 5.366, "gap_pbe_dir": 5.41, "gap_pbe_nosoc": 5.369, "gap_pbe_dir_nosoc": 5.455, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 10.173127447073073, "binding_energy_gs": 9.670500026840777, "distance": 3.2929490000281127}


unique_id: 6a35016167bc5ba34a0f6639b50295b4
username: jensj
key_value_pairs:
  {"uid": "Al2Cl6-b8b35ca6154e-2-1_0_0_1-0.03_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlCl3/Al2Cl6-b8b35ca6154e/Al2Cl6-2-1_0_0_1-0.03_-0.67", "stoichiometry": "AB3", "monolayer_uid": "Al2Cl6-b8b35ca6154e", "bilayer_uid": "Al2Cl6-b8b35ca6154e-2-1_0_0_1-0.03_-0.67", "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, "cod_id": 1535669, "icsd_id": 39566, "gap_pbe": 5.331, "gap_pbe_dir": 5.368, "gap_pbe_nosoc": 5.335, "gap_pbe_dir_nosoc": 5.372, "dipz": -0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 10.059349830700771, "binding_energy_gs": 9.556727235841672, "distance": 3.310703484878303}


unique_id: 52cd34b6672114e4897e4295e4c5e8e2
username: jensj
key_value_pairs:
  {"uid": "Al2Cl6-b8b35ca6154e-2-1_-1_1_0-0.03_-0.3", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlCl3/Al2Cl6-b8b35ca6154e/Al2Cl6-2-1_-1_1_0-0.03_-0.3", "stoichiometry": "AB3", "monolayer_uid": "Al2Cl6-b8b35ca6154e", "bilayer_uid": "Al2Cl6-b8b35ca6154e-2-1_-1_1_0-0.03_-0.3", "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": false, "cod_id": 1535669, "icsd_id": 39566, "gap_pbe": 5.364, "gap_pbe_dir": 5.392, "gap_pbe_nosoc": 5.367, "gap_pbe_dir_nosoc": 5.396, "dipz": 0.001, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 10.040911904161197, "binding_energy_gs": 9.538313201727098, "distance": 3.3195807273033964}


unique_id: b76984f4f0e37e36715f9fe4ea8eea11
username: jensj
key_value_pairs:
  {"uid": "Al2Cl6-b8b35ca6154e-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlCl3/Al2Cl6-b8b35ca6154e/Al2Cl6-2-1_0_0_1-0_0", "stoichiometry": "AB3", "monolayer_uid": "Al2Cl6-b8b35ca6154e", "bilayer_uid": "Al2Cl6-b8b35ca6154e-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": false, "cod_id": 1535669, "icsd_id": 39566, "gap_pbe": 5.269, "gap_pbe_dir": 5.348, "gap_pbe_nosoc": 5.272, "gap_pbe_dir_nosoc": 5.387, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 9.705577605102734, "binding_energy_gs": 9.202933010924239, "distance": 3.3817214242790588}


unique_id: 44bb963e73d53102151bd344650b480f
username: jensj
key_value_pairs:
  {"uid": "Al2Cl6-b8b35ca6154e-2-1_-1_1_0-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlCl3/Al2Cl6-b8b35ca6154e/Al2Cl6-2-1_-1_1_0-0.33_-0.33", "stoichiometry": "AB3", "monolayer_uid": "Al2Cl6-b8b35ca6154e", "bilayer_uid": "Al2Cl6-b8b35ca6154e-2-1_-1_1_0-0.33_-0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 1535669, "icsd_id": 39566, "gap_pbe": 5.392, "gap_pbe_dir": 5.427, "gap_pbe_nosoc": 5.398, "gap_pbe_dir_nosoc": 5.432, "dipz": -0.0, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 8.295179127148714, "binding_energy_gs": 7.7925650641245205, "distance": 3.66579318188208}


unique_id: 2652dbe9c52d9d0f1e1ad4762caaaf13
username: jensj
key_value_pairs:
  {"uid": "Al2Cl6-b8b35ca6154e-2-1_0_0_1-0.3_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlCl3/Al2Cl6-b8b35ca6154e/Al2Cl6-2-1_0_0_1-0.3_0.33", "stoichiometry": "AB3", "monolayer_uid": "Al2Cl6-b8b35ca6154e", "bilayer_uid": "Al2Cl6-b8b35ca6154e-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, "cod_id": 1535669, "icsd_id": 39566, "gap_pbe": 5.388, "gap_pbe_dir": 5.425, "gap_pbe_nosoc": 5.392, "gap_pbe_dir_nosoc": 5.428, "dipz": -0.0, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 8.2810932491032, "binding_energy_gs": 7.778459310954939, "distance": 3.66579318188208}


unique_id: fea42dc2fb344818e0c27bada3292484
username: jensj
key_value_pairs:
  {"uid": "Al2Cl6-b8b35ca6154e-2-1_-1_1_0-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlCl3/Al2Cl6-b8b35ca6154e/Al2Cl6-2-1_-1_1_0-0_0", "stoichiometry": "AB3", "monolayer_uid": "Al2Cl6-b8b35ca6154e", "bilayer_uid": "Al2Cl6-b8b35ca6154e-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, "cod_id": 1535669, "icsd_id": 39566, "gap_pbe": 5.339, "gap_pbe_dir": 5.373, "gap_pbe_nosoc": 5.342, "gap_pbe_dir_nosoc": 5.376, "dipz": -0.0, "with_props": true, "slide_stability": "Unstable-Max", "binding_energy_zscan": 8.134822039429771, "binding_energy_gs": 7.632188721104821, "distance": 3.7013021515824587}


unique_id: d375df2734625c3483a7931874fc3032
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Al2I6-c16b24ee2d30", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlI3/Al2I6-c16b24ee2d30", "stoichiometry": "AB3", "monolayer_uid": "Al2I6-c16b24ee2d30", "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": false, "ehull": 0.052814293167986914, "dynamically_stable": "Yes", "gap_pbe": 2.09, "gap_pbe_dir": 2.09, "gap_pbe_nosoc": 2.424, "gap_pbe_dir_nosoc": 2.464, "dipz": 0.0}


unique_id: 87a9ad84db4c93b8e3d4f8d6d727294e
username: jensj
key_value_pairs:
  {"uid": "Al2I6-c16b24ee2d30-2-1_0_0_1-0_-0.68", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlI3/Al2I6-c16b24ee2d30/Al2I6-2-1_0_0_1-0_-0.68", "stoichiometry": "AB3", "monolayer_uid": "Al2I6-c16b24ee2d30", "bilayer_uid": "Al2I6-c16b24ee2d30-2-1_0_0_1-0_-0.68", "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": 1.994, "gap_pbe_dir": 2.076, "gap_pbe_nosoc": 2.277, "gap_pbe_dir_nosoc": 2.351, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 11.39158659125742, "binding_energy_gs": 11.045431628493889, "distance": 3.6602551831078145}


unique_id: 7624bc5e6ea31072c2918c62e8be506a
username: jensj
key_value_pairs:
  {"uid": "Al2I6-c16b24ee2d30-2-1_-1_1_0-0_-0.32", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlI3/Al2I6-c16b24ee2d30/Al2I6-2-1_-1_1_0-0_-0.32", "stoichiometry": "AB3", "monolayer_uid": "Al2I6-c16b24ee2d30", "bilayer_uid": "Al2I6-c16b24ee2d30-2-1_-1_1_0-0_-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  0  2  2  4  5  5  7  8  8 10 11 10 13 14 13]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 2.039, "gap_pbe_dir": 2.039, "gap_pbe_nosoc": 2.36, "gap_pbe_dir_nosoc": 2.36, "dipz": 0.003, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 11.367074321116508, "binding_energy_gs": 11.020950770568891, "distance": 3.6681254263875687}


unique_id: afcc81415cd5620c9df5348258869c50
username: jensj
key_value_pairs:
  {"uid": "Al2I6-c16b24ee2d30-2-1_0_0_1-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlI3/Al2I6-c16b24ee2d30/Al2I6-2-1_0_0_1-0.33_-0.33", "stoichiometry": "AB3", "monolayer_uid": "Al2I6-c16b24ee2d30", "bilayer_uid": "Al2I6-c16b24ee2d30-2-1_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": false, "gap_pbe": 1.952, "gap_pbe_dir": 1.952, "gap_pbe_nosoc": 2.282, "gap_pbe_dir_nosoc": 2.327, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 11.142888466068527, "binding_energy_gs": 11.237682079754698, "distance": 3.639642811174003}


unique_id: 74b2f2c3e3cb14571ed95b37eaf63465
username: jensj
key_value_pairs:
  {"uid": "Al2I6-c16b24ee2d30-2-1_0_0_1-0.02_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlI3/Al2I6-c16b24ee2d30/Al2I6-2-1_0_0_1-0.02_-0.67", "stoichiometry": "AB3", "monolayer_uid": "Al2I6-c16b24ee2d30", "bilayer_uid": "Al2I6-c16b24ee2d30-2-1_0_0_1-0.02_-0.67", "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, "gap_pbe": 1.994, "gap_pbe_dir": 2.079, "gap_pbe_nosoc": 2.279, "gap_pbe_dir_nosoc": 2.353, "dipz": -0.0, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 10.903955338038603, "binding_energy_gs": 10.99871282921939, "distance": 3.6687174844091857}


unique_id: 39d5f3580ae5fc3f43ae45861b6e37d3
username: jensj
key_value_pairs:
  {"uid": "Al2I6-c16b24ee2d30-2-1_-1_1_0-0.02_-0.31", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlI3/Al2I6-c16b24ee2d30/Al2I6-2-1_-1_1_0-0.02_-0.31", "stoichiometry": "AB3", "monolayer_uid": "Al2I6-c16b24ee2d30", "bilayer_uid": "Al2I6-c16b24ee2d30-2-1_-1_1_0-0.02_-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": false, "gap_pbe": 2.04, "gap_pbe_dir": 2.04, "gap_pbe_nosoc": 2.362, "gap_pbe_dir_nosoc": 2.362, "dipz": 0.003, "with_props": true, "slide_stability": "Unstable-shifted", "binding_energy_zscan": 10.892470036622433, "binding_energy_gs": 10.987237426490962, "distance": 3.6687174844091857}


unique_id: dc6e947189a876891d68f78e5a47214d
username: jensj
key_value_pairs:
  {"uid": "Al2I6-c16b24ee2d30-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlI3/Al2I6-c16b24ee2d30/Al2I6-2-1_0_0_1-0_0", "stoichiometry": "AB3", "monolayer_uid": "Al2I6-c16b24ee2d30", "bilayer_uid": "Al2I6-c16b24ee2d30-2-1_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": false, "gap_pbe": 1.871, "gap_pbe_dir": 1.871, "gap_pbe_nosoc": 2.195, "gap_pbe_dir_nosoc": 2.235, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 10.214586276300835, "binding_energy_gs": 10.30944935248019, "distance": 3.7656330618597877}


unique_id: f1b95c1710351b507ca46bc3c5abcdc8
username: jensj
key_value_pairs:
  {"uid": "Al2I6-c16b24ee2d30-2-1_-1_1_0-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlI3/Al2I6-c16b24ee2d30/Al2I6-2-1_-1_1_0-0.33_-0.33", "stoichiometry": "AB3", "monolayer_uid": "Al2I6-c16b24ee2d30", "bilayer_uid": "Al2I6-c16b24ee2d30-2-1_-1_1_0-0.33_-0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 68, "layer_group": "p321", "space_group_number": 150, "space_group": "P321", "equivalent_atoms": "[0 1 2 2 2 5 5 5 0 1 5 5 5 2 2 2]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 2.017, "gap_pbe_dir": 2.017, "gap_pbe_nosoc": 2.354, "gap_pbe_dir_nosoc": 2.392, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 8.020583753578576, "binding_energy_gs": 7.674436412200324, "distance": 4.211444718132576}


unique_id: 2cee416e42c13d9e48e59416d11eef46
username: jensj
key_value_pairs:
  {"uid": "Al2I6-c16b24ee2d30-2-1_0_0_1-0.31_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB3/AlI3/Al2I6-c16b24ee2d30/Al2I6-2-1_0_0_1-0.31_0.33", "stoichiometry": "AB3", "monolayer_uid": "Al2I6-c16b24ee2d30", "bilayer_uid": "Al2I6-c16b24ee2d30-2-1_0_0_1-0.31_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, "gap_pbe": 2.065, "gap_pbe_dir": 2.065, "gap_pbe_nosoc": 2.392, "gap_pbe_dir_nosoc": 2.431, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 7.979126537619185, "binding_energy_gs": 8.073942152355308, "distance": 4.2211362758776385}


