# systems

unique_id: aee91135cfbb6805ecfc5fc95b50a241
username: jensj
key_value_pairs:
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unique_id: 5400d5939a76f885f404f449f473eb93
username: jensj
key_value_pairs:
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unique_id: c541b610d155b3b88985a7251527b0a0
username: jensj
key_value_pairs:
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unique_id: 603f570acafaf5c8becef060e6d3d6e6
username: jensj
key_value_pairs:
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unique_id: e7d2ecda812b9967507a904358712861
username: jensj
key_value_pairs:
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unique_id: b85eea149387dcd64dc9280475e8a2af
username: jensj
key_value_pairs:
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unique_id: a346e3d538f1789b13f3a1a7541b8765
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "MoO2-152bd69757aa", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/AB2/MoO2/MoO2-152bd69757aa", "stoichiometry": "AB2", "monolayer_uid": "MoO2-152bd69757aa", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 1]", "has_inversion_symmetry": false, "magnetic": false, "ehull": 0.02806201169811695, "dynamically_stable": "Yes", "gap_pbe": 0.933, "gap_pbe_dir": 1.691, "gap_pbe_nosoc": 0.936, "gap_pbe_dir_nosoc": 1.746, "dipz": -0.0}


unique_id: 65a9903e5fa10dcb17e44a9c445295ce
username: jensj
key_value_pairs:
  {"uid": "MoO2-152bd69757aa-2-1_0_0_1--0.67_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/AB2/MoO2/MoO2-152bd69757aa/MoO2-2-1_0_0_1--0.67_-0.33", "stoichiometry": "AB2", "monolayer_uid": "MoO2-152bd69757aa", "bilayer_uid": "MoO2-152bd69757aa-2-1_0_0_1--0.67_-0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 69, "layer_group": "p3m1", "space_group_number": 156, "space_group": "P3m1", "equivalent_atoms": "[0 1 2 3 4 5]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.745, "gap_pbe_dir": 1.487, "gap_pbe_nosoc": 0.748, "gap_pbe_dir_nosoc": 1.542, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 31.528395426490505, "binding_energy_gs": 27.356343446224766, "distance": 2.5401561895251756}


unique_id: d4bc234644e058c50c02f55fa17d98e2
username: jensj
key_value_pairs:
  {"uid": "MoO2-152bd69757aa-2--1_0_0_-1-Iz--0.33_-0.67", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/AB2/MoO2/MoO2-152bd69757aa/MoO2-2--1_0_0_-1-Iz--0.33_-0.67", "stoichiometry": "AB2", "monolayer_uid": "MoO2-152bd69757aa", "bilayer_uid": "MoO2-152bd69757aa-2--1_0_0_-1-Iz--0.33_-0.67", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 0 1 2]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.761, "gap_pbe_dir": 1.499, "gap_pbe_nosoc": 0.763, "gap_pbe_dir_nosoc": 1.554, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 31.388220062528276, "binding_energy_gs": 27.216037575692376, "distance": 2.5571874417649827}


unique_id: 870f2abc26e9ba835b4d98b14ce57436
username: jensj
key_value_pairs:
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unique_id: 708d68d9c2a4d8ca799e185fa11b41db
username: jensj
key_value_pairs:
  {"uid": "MoO2-152bd69757aa-2--1_0_0_-1-Iz-0.33_-0.33", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/AB2/MoO2/MoO2-152bd69757aa/MoO2-2--1_0_0_-1-Iz-0.33_-0.33", "stoichiometry": "AB2", "monolayer_uid": "MoO2-152bd69757aa", "bilayer_uid": "MoO2-152bd69757aa-2--1_0_0_-1-Iz-0.33_-0.33", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 72, "layer_group": "p-3m1", "space_group_number": 164, "space_group": "P-3m1", "equivalent_atoms": "[0 1 2 0 1 2]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.765, "gap_pbe_dir": 1.511, "gap_pbe_nosoc": 0.768, "gap_pbe_dir_nosoc": 1.566, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 25.446878030780194, "binding_energy_gs": 20.888582174778726, "distance": 2.897812486561147}


unique_id: b8696078c1f1a362de372d39cca38200
username: jensj
key_value_pairs:
  {"uid": "MoO2-152bd69757aa-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/AB2/MoO2/MoO2-152bd69757aa/MoO2-2-1_0_0_1-0_0", "stoichiometry": "AB2", "monolayer_uid": "MoO2-152bd69757aa", "bilayer_uid": "MoO2-152bd69757aa-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 78, "layer_group": "p-6m2", "space_group_number": 187, "space_group": "P-6m2", "equivalent_atoms": "[0 1 2 0 2 1]", "has_inversion_symmetry": false, "magnetic": false, "gap_pbe": 0.763, "gap_pbe_dir": 1.51, "gap_pbe_nosoc": 0.765, "gap_pbe_dir_nosoc": 1.565, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 25.303425570678193, "binding_energy_gs": 20.745222310554308, "distance": 2.8978124865611488}


unique_id: 67a407542ef184eedff32b41b1793406
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "Mo2S4-b06001f565b8", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/AB2/MoS2/Mo2S4-b06001f565b8", "stoichiometry": "AB2", "monolayer_uid": "Mo2S4-b06001f565b8", "number_of_layers": 1, "nspecies": 2, "layer_group_number": 15, "layer_group": "p2_1/m11", "space_group_number": 11, "space_group": "P2_1/m", "equivalent_atoms": "[0 1 1 0 4 4]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 4124624, "ehull": 0.18014169385649959, "dynamically_stable": "Yes", "gap_pbe": 0.051, "gap_pbe_dir": 0.051, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0}


unique_id: dbc95bc3991a095803cc24653ba0162b
username: jensj
key_value_pairs:
  {"uid": "Mo2S4-b06001f565b8-2-1_0_0_1-0.5_-0.56", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/AB2/MoS2/Mo2S4-b06001f565b8/Mo2S4-2-1_0_0_1-0.5_-0.56", "stoichiometry": "AB2", "monolayer_uid": "Mo2S4-b06001f565b8", "bilayer_uid": "Mo2S4-b06001f565b8-2-1_0_0_1-0.5_-0.56", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 14, "layer_group": "p2/m11", "space_group_number": 10, "space_group": "P2/m", "equivalent_atoms": "[0 1 2 3 4 5 3 2 1 0 5 4]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 4124624, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 29.378895569995017, "binding_energy_gs": 27.339517304252947, "distance": 2.385673562674503}


unique_id: d5fe4134074dfcea34d7f2d90eed6995
username: jensj
key_value_pairs:
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unique_id: db5662f52a006975421cfb29d3483877
username: jensj
key_value_pairs:
  {"uid": "Mo2S4-b06001f565b8-2--1_0_0_-1-0.5_-0.07", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/AB2/MoS2/Mo2S4-b06001f565b8/Mo2S4-2--1_0_0_-1-0.5_-0.07", "stoichiometry": "AB2", "monolayer_uid": "Mo2S4-b06001f565b8", "bilayer_uid": "Mo2S4-b06001f565b8-2--1_0_0_-1-0.5_-0.07", "number_of_layers": 2, "nspecies": 2, "layer_group_number": 11, "layer_group": "pm11", "space_group_number": 6, "space_group": "Pm", "equivalent_atoms": "[ 0  1  2  3  4  5  6  7  8  9 10 11]", "has_inversion_symmetry": false, "magnetic": false, "cod_id": 4124624, "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": true, "slide_stability": "None", "binding_energy_zscan": 29.03566104841018, "binding_energy_gs": 27.16612829875745, "distance": 2.4941336765327833}


unique_id: 8d1bed614a16161e3f6b16dea2b719d4
username: jensj
key_value_pairs:
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unique_id: b01101990e72b563311bd0005bb09b14
username: jensj
key_value_pairs:
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unique_id: cc7509b0070f22310ce1601532b347b4
username: jensj
key_value_pairs:
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unique_id: 66746da8427b10f0f7e5a047e423c385
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username: jensj
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calculator: unknown
calculator_parameters: {}
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