# systems

unique_id: 662aeee3fa99121bf63387c257e006b6
username: jensj
key_value_pairs:
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unique_id: 41f819519eaa647837606a364d71ab29
username: jensj
key_value_pairs:
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unique_id: 9653a4333ef69abb25db2ba6a9d31a87
username: jensj
key_value_pairs:
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unique_id: 8a8c10b3de0dab3e02cfcf4cf7b95af7
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
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unique_id: 9c9cb2c1de183dced251c33017e002be
username: jensj
key_value_pairs:
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unique_id: c253e5e9ca6f512008eb0f319c0af7aa
username: jensj
key_value_pairs:
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unique_id: f6d2009702c9886bb76df84100747990
username: jensj
key_value_pairs:
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unique_id: 3e1dd9f330c0b42cd70a89a5a69b0d7e
username: jensj
key_value_pairs:
  {"uid": "I2Zn2-748053f4b718-2-1_0_0_1-0.79_0.58", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB/IZn/I2Zn2-748053f4b718/I2Zn2-2-1_0_0_1-0.79_0.58", "stoichiometry": "AB", "monolayer_uid": "I2Zn2-748053f4b718", "bilayer_uid": "I2Zn2-748053f4b718-2-1_0_0_1-0.79_0.58", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 1 0 3 2]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 1.787, "gap_pbe_dir": 1.806, "gap_pbe_nosoc": 1.869, "gap_pbe_dir_nosoc": 1.933, "dipz": -0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 10.701481322266279, "binding_energy_gs": 10.760461342921822, "distance": 3.7070821512848298}


unique_id: 858ae648313697f48c1741a83a239a50
username: jensj
key_value_pairs:
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unique_id: bda4e7423ea118145eb78a016f121ad6
username: jensj
key_value_pairs:
  {"uid": "I2Zn2-748053f4b718-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB/IZn/I2Zn2-748053f4b718/I2Zn2-2-1_0_0_1-0.5_0", "stoichiometry": "AB", "monolayer_uid": "I2Zn2-748053f4b718", "bilayer_uid": "I2Zn2-748053f4b718-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 18, "layer_group": "c2/m11", "space_group_number": 12, "space_group": "C2/m", "equivalent_atoms": "[0 1 2 3 1 0 3 2]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 1.83, "gap_pbe_dir": 1.857, "gap_pbe_nosoc": 1.906, "gap_pbe_dir_nosoc": 1.984, "dipz": -0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 8.979574509205962, "binding_energy_gs": 9.038746286371065, "distance": 3.9989968008978334}


unique_id: 6f29f59f18f01e2756c044a441266db3
username: jensj
key_value_pairs:
  {"uid": "I2Zn2-748053f4b718-2--1_0_0_-1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB/IZn/I2Zn2-748053f4b718/I2Zn2-2--1_0_0_-1-0.5_0", "stoichiometry": "AB", "monolayer_uid": "I2Zn2-748053f4b718", "bilayer_uid": "I2Zn2-748053f4b718-2--1_0_0_-1-0.5_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 13, "layer_group": "cm11", "space_group_number": 8, "space_group": "Cm", "equivalent_atoms": "[0 1 2 3 4 5 6 7]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 1.825, "gap_pbe_dir": 1.858, "gap_pbe_nosoc": 1.902, "gap_pbe_dir_nosoc": 1.985, "dipz": 0.0, "with_props": true, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 8.940057626477074, "binding_energy_gs": 8.99895692400466, "distance": 4.005483793111457}


unique_id: 71b9b99adeb068ab82c113a533c8f595
username: jensj
key_value_pairs:
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unique_id: 38c7d51f258a6a99a48dc60aeaf7f337
username: jensj
key_value_pairs:
  {"uid": "I2Zn2-748053f4b718-2-1_0_0_1--0.66_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB/IZn/I2Zn2-748053f4b718/I2Zn2-2-1_0_0_1--0.66_-0.33", "stoichiometry": "AB", "monolayer_uid": "I2Zn2-748053f4b718", "bilayer_uid": "I2Zn2-748053f4b718-2-1_0_0_1--0.66_-0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 3 1 0 3 2]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 1.857, "gap_pbe_dir": 1.897, "gap_pbe_nosoc": 1.925, "gap_pbe_dir_nosoc": 2.024, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 7.7866745779258535, "binding_energy_gs": 7.260689069958632, "distance": 4.245502505015482}


unique_id: 26fb50c9f9f311b352126f8b40b339b1
username: jensj
key_value_pairs:
  {"uid": "I2Zn2-748053f4b718-2--1_0_0_-1--0.33_0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB/IZn/I2Zn2-748053f4b718/I2Zn2-2--1_0_0_-1--0.33_0.33", "stoichiometry": "AB", "monolayer_uid": "I2Zn2-748053f4b718", "bilayer_uid": "I2Zn2-748053f4b718-2--1_0_0_-1--0.33_0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 2 3 1 0 3 2]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 1.854, "gap_pbe_dir": 1.897, "gap_pbe_nosoc": 1.924, "gap_pbe_dir_nosoc": 2.023, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 7.766838938513077, "binding_energy_gs": 7.240895883930715, "distance": 4.245502505015482}


unique_id: 83565d1e46fb556d1bcf25a6b6937537
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "O2Tl2-dc07e4d1b5e5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB/OTl/O2Tl2-dc07e4d1b5e5", "stoichiometry": "AB", "monolayer_uid": "O2Tl2-dc07e4d1b5e5", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 0 2 2]", "has_inversion_symmetry": false, "magnetic": false, "ehull": 0.19529242948672543, "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: d5a264bc39904988dc44d049e1c0a98b
username: jensj
key_value_pairs:
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unique_id: b5b9e5d3660fa2b99c6f1abade6fc421
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Pb2Se2-f615d3b872f4", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-mads/tree/AB/PbSe/Pb2Se2-f615d3b872f4", "stoichiometry": "AB", "monolayer_uid": "Pb2Se2-f615d3b872f4", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 64, "layer_group": "p4/nmm", "space_group_number": 129, "space_group": "P4/nmm", "equivalent_atoms": "[0 0 2 2]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.07232423432661417, "dynamically_stable": "Yes", "gap_pbe": 0.78, "gap_pbe_dir": 0.783, "gap_pbe_nosoc": 1.287, "gap_pbe_dir_nosoc": 1.292, "dipz": 0.0}


unique_id: 97e041193052076d739ae9efc6007c64
username: jensj
key_value_pairs:
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unique_id: 43090bc030ae5e897d099312923efdc2
username: jensj
key_value_pairs:
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unique_id: e2c277e39b3a2fdb21289842239ab7ec
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