{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[8.0581726, 0.0, 4.934207640783453e-16], [-4.029086299999998, 6.978582179679702, 4.934207640783453e-16], [0.0, 0.0, 9.75515096]], "pbc": [true, true, true], "a": 8.0581726, "b": 8.0581726, "c": 9.75515096, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999999999997, "volume": 548.5772044213734}, "sites": [{"species": [{"element": "Cu", "occu": 1}], "abc": [0.333333, 0.666667, 0.666667], "xyz": [-4.029086298362394e-06, 4.652390445980528, 6.5034372250503205], "label": "Cu", "properties": {"lmm": -0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Cu", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Cu", "properties": {"lmm": -0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Cu", "occu": 1}], "abc": [0.666667, 0.333333, 0.333333], "xyz": [4.029090329086301, 2.326191733699174, 3.2517137349496803], "label": "Cu", "properties": {"lmm": -0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.833333, 0.166667, 0.666667], "xyz": [6.043625420913701, 1.1630993561406768, 6.5034372250503205], "label": "Ni", "properties": {"lmm": 0.0054, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.333333, 0.166667, 0.666667], "xyz": [2.0145391209137005, 1.1630993561406768, 6.5034372250503205], "label": "Ni", "properties": {"lmm": 0.0054, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.166667, 0.333333, 0.333333], "xyz": [4.029086301026929e-06, 2.326191733699174, 3.2517137349496803], "label": "Ni", "properties": {"lmm": 0.0054, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.5, 0.5, 0.0], "xyz": [2.0145431500000015, 3.489291089839851, 4.934207640783453e-16], "label": "Ni", "properties": {"lmm": 0.0053, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.0, 0.5, 0.0], "xyz": [-2.014543149999999, 3.489291089839851, 2.4671038203917265e-16], "label": "Ni", "properties": {"lmm": 0.0053, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.833333, 0.666667, 0.666667], "xyz": [4.029082270913702, 4.652390445980528, 6.5034372250503205], "label": "Ni", "properties": {"lmm": 0.0054, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.166667, 0.833333, 0.333333], "xyz": [-2.014539120913698, 5.815482823539025, 3.2517137349496803], "label": "Ni", "properties": {"lmm": 0.0054, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.666667, 0.833333, 0.333333], "xyz": [2.0145471790863025, 5.815482823539025, 3.2517137349496807], "label": "Ni", "properties": {"lmm": 0.0054, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.5, 0.0, 0.0], "xyz": [4.0290863, 0.0, 2.4671038203917265e-16], "label": "Ni", "properties": {"lmm": 0.0053, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.333333, 0.666667, 0.060339], "xyz": [-4.029086298362394e-06, 4.652390445980528, 0.5886160537754405], "label": "S", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.358513, 0.423135, 0.531948], "xyz": [1.1841122017933015, 2.9528823705987706, 5.18923304287008], "label": "S", "properties": {"lmm": 0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.731289, 0.974821, 0.865281], "xyz": [1.9652150464291027, 6.802868458977547, 8.44094677781976], "label": "S", "properties": {"lmm": 0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.243532, 0.268711, 0.865281], "xyz": [0.8797630808639009, 1.8752217960839122, 8.440946777819759], "label": "S", "properties": {"lmm": 0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.0, 0.0, 0.606328], "xyz": [0.0, 0.0, 5.9148211712748795], "label": "S", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.974821, 0.243532, 0.134719], "xyz": [6.874064427293002, 1.699508075381757, 1.3142041821802406], "label": "S", "properties": {"lmm": 0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.602044, 0.691846, 0.801386], "xyz": [2.063867224484603, 4.8281041666826825, 7.817641407230561], "label": "S", "properties": {"lmm": 0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.089802, 0.397956, 0.801386], "xyz": [-0.8797590517775988, 2.7771686498966153, 7.8176414072305604], "label": "S", "properties": {"lmm": 0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.0, 0.0, 0.393672], "xyz": [0.0, 0.0, 3.84032978872512], "label": "S", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.025179, 0.756468, 0.865281], "xyz": [-2.844978127292998, 5.279074104297945, 8.44094677781976], "label": "S", "properties": {"lmm": 0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.397956, 0.308154, 0.198614], "xyz": [1.9652190755154009, 2.1504780129970187, 1.9375095527694404], "label": "S", "properties": {"lmm": 0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.910198, 0.602044, 0.198614], "xyz": [4.908845351777602, 4.201413529783086, 1.9375095527694408], "label": "S", "properties": {"lmm": 0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.666667, 0.333333, 0.939661], "xyz": [4.029090329086301, 2.326191733699174, 9.16653490622456], "label": "S", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.641487, 0.576865, 0.468052], "xyz": [2.844974098206702, 4.025699809080931, 4.565917917129921], "label": "S", "properties": {"lmm": 0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.268711, 0.025179, 0.134719], "xyz": [2.0638712535709, 0.1757137207021552, 1.3142041821802402], "label": "S", "properties": {"lmm": 0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.756468, 0.731289, 0.134719], "xyz": [3.1493232191361025, 5.103360383595789, 1.3142041821802408], "label": "S", "properties": {"lmm": 0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.666667, 0.333333, 0.727005], "xyz": [4.029090329086301, 2.326191733699174, 7.092043523674801], "label": "S", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.691846, 0.089802, 0.198614], "xyz": [5.213194472707, 0.6266906368995966, 1.9375095527694406], "label": "S", "properties": {"lmm": 0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.064622, 0.641487, 0.531948], "xyz": [-2.0638712535708987, 4.476669746696193, 5.18923304287008], "label": "S", "properties": {"lmm": 0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.576865, 0.935378, 0.531948], "xyz": [0.8797590517776023, 6.52761224206444, 5.189233042870081], "label": "S", "properties": {"lmm": 0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.333333, 0.666667, 0.272995], "xyz": [-4.029086298362394e-06, 4.652390445980528, 2.6631074363252005], "label": "S", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.308154, 0.910198, 0.801386], "xyz": [-1.1841081727069975, 6.351891542780105, 7.817641407230561], "label": "S", "properties": {"lmm": 0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.935378, 0.358513, 0.468052], "xyz": [6.092957553570901, 2.501912432983509, 4.565917917129921], "label": "S", "properties": {"lmm": 0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "S", "occu": 1}], "abc": [0.423135, 0.064622, 0.468052], "xyz": [3.1493272482224, 0.45096993761526166, 4.56591791712992], "label": "S", "properties": {"lmm": 0.0004, "soc": null, "ecc": null}}]}