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CuO.json
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CuO.json
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{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-2.095982996740695e-16, 3.423, 2.095982996740695e-16], [4.609859771511863, -0.0, 4.336365979078543], [4.609859771511863, -0.0, -5.915634020921457]], "a": 3.423, "b": 6.328892242526588, "c": 7.499702192919848, "alpha": 95.32084579267564, "beta": 90.0, "gamma": 90.0, "volume": 161.77194657831814}, "sites": [{"species": [{"element": "Cu", "occu": 1.0}], "abc": [0.25, 0.625, 0.625], "xyz": [5.7623247143898295, 0.85575, -0.9870425261518212], "label": "Cu", "properties": {"magmom": -0.65}}, {"species": [{"element": "Cu", "occu": 1.0}], "abc": [0.75, 0.375, 0.875], "xyz": [5.7623247143898295, 2.56725, -3.550042526151821], "label": "Cu", "properties": {"magmom": -0.65}}, {"species": [{"element": "Cu", "occu": 1.0}], "abc": [0.75, 0.875, 0.875], "xyz": [8.06725460014576, 2.56725, -1.3818595366125497], "label": "Cu", "properties": {"magmom": -0.65}}, {"species": [{"element": "Cu", "occu": 1.0}], "abc": [0.25, 0.1250000000000001, 0.6249999999999999], "xyz": [3.4573948286338974, 0.85575, -3.1552255156910918], "label": "Cu", "properties": {"magmom": -0.65}}, {"species": [{"element": "Cu", "occu": 1.0}], "abc": [0.25, 0.125, 0.125], "xyz": [1.1524649428779659, 0.85575, -0.19740850523036424], "label": "Cu", "properties": {"magmom": 0.65}}, {"species": [{"element": "Cu", "occu": 1.0}], "abc": [0.75, 0.875, 0.375], "xyz": [5.7623247143898295, 2.56725, 1.575957473848179], "label": "Cu", "properties": {"magmom": 0.65}}, {"species": [{"element": "Cu", "occu": 1.0}], "abc": [0.75, 0.37500000000000006, 0.375], "xyz": [3.457394828633898, 2.56725, -0.5922255156910923], "label": "Cu", "properties": {"magmom": 0.65}}, {"species": [{"element": "Cu", "occu": 1.0}], "abc": [0.25, 0.6250000000000001, 0.12499999999999993], "xyz": [3.457394828633898, 0.85575, 1.9707744843089083], "label": "Cu", "properties": {"magmom": 0.65}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.41879999999999995, 0.12499999999999999, 0.875], "xyz": [4.609859771511863, 1.4335524, -4.634134020921457], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.41879999999999995, 0.625, 0.375], "xyz": [4.609859771511863, 1.4335524, 0.4918659790785431], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.9188000000000001, 0.875, 0.625], "xyz": [6.914789657267795, 3.1450524000000004, 0.09704896861781465], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.9188000000000001, 0.375, 0.125], "xyz": [2.3049298857559317, 3.1450524000000004, 0.8866829895392718], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.5811999999999999, 0.375, 0.625], "xyz": [4.609859771511863, 1.9894475999999999, -2.071134020921457], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.5811999999999999, 0.875, 0.125], "xyz": [4.609859771511863, 1.9894475999999999, 3.054865979078543], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.08119999999999998, 0.625, 0.875], "xyz": [6.914789657267796, 0.27794759999999996, -2.4659510313821853], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.08119999999999998, 0.12500000000000003, 0.375], "xyz": [2.3049298857559317, 0.27794759999999996, -1.6763170104607283], "label": "O", "properties": {"magmom": 0.0}}]}