{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.98336453, 0.0, 2.4391073107508e-16], [1.5570127874578564e-15, 9.68217684, 5.928623437942317e-16], [0.0, 0.0, 13.09237243]], "pbc": [true, true, true], "a": 3.98336453, "b": 9.68217684, "c": 13.09237243, "alpha": 90.0, "beta": 90.0, "gamma": 89.99999999999999, "volume": 504.9419039768383}, "sites": [{"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.082762, 0.888368], "xyz": [1.2886149231558711e-16, 0.80131631963208, 11.63084471089424], "label": "Sc", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.417238, 0.111632], "xyz": [1.9916822650000006, 4.03977210036792, 1.4615277191057603], "label": "Sc", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.417238, 0.388368], "xyz": [1.9916822650000006, 4.03977210036792, 5.08465849589424], "label": "Sc", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.361566, 0.75], "xyz": [5.629628855099873e-16, 3.50074595133144, 9.8192793225], "label": "Sc", "properties": {"lmm": 0.0003, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.082762, 0.611632], "xyz": [1.2886149231558711e-16, 0.80131631963208, 8.007713934105759], "label": "Sc", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.138434, 0.25], "xyz": [1.9916822650000001, 1.34034246866856, 3.2730931075], "label": "Sc", "properties": {"lmm": 0.0003, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.582762, 0.888368], "xyz": [1.9916822650000008, 5.64240473963208, 11.630844710894241], "label": "Sc", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.917238, 0.111632], "xyz": [1.4281512951422692e-15, 8.88086052036792, 1.4615277191057603], "label": "Sc", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.917238, 0.388368], "xyz": [1.4281512951422692e-15, 8.88086052036792, 5.0846584958942405], "label": "Sc", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.861566, 0.75], "xyz": [1.9916822650000012, 8.34183437133144, 9.8192793225], "label": "Sc", "properties": {"lmm": 0.0003, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.582762, 0.611632], "xyz": [1.9916822650000008, 5.64240473963208, 8.007713934105759], "label": "Sc", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.638434, 0.25], "xyz": [9.94049901947869e-16, 6.18143088866856, 3.2730931075000003], "label": "Sc", "properties": {"lmm": 0.0003, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.340376, 0.25], "xyz": [5.299697845437553e-16, 3.29558062409184, 3.2730931075], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.159624, 0.75], "xyz": [1.9916822650000001, 1.54550779590816, 9.8192793225], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.383539, 0.53903], "xyz": [5.971751274887988e-16, 3.7134924230367603, 7.0571815109429], "label": "Si", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.116461, 0.46097], "xyz": [1.9916822650000001, 1.12759599696324, 6.0351909190571], "label": "Si", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.116461, 0.03903], "xyz": [1.9916822650000001, 1.12759599696324, 0.5109952959429002], "label": "Si", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.383539, 0.96097], "xyz": [5.971751274887988e-16, 3.7134924230367603, 12.5813771340571], "label": "Si", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.840376, 0.25], "xyz": [1.9916822650000012, 8.13666904409184, 3.2730931075000003], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.659624, 0.75], "xyz": [1.027043002914101e-15, 6.38659621590816, 9.8192793225], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.883539, 0.53903], "xyz": [1.9916822650000012, 8.55458084303676, 7.0571815109429], "label": "Si", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.616461, 0.46097], "xyz": [9.598376599690576e-16, 5.9686844169632405, 6.0351909190571], "label": "Si", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.616461, 0.03903], "xyz": [9.598376599690576e-16, 5.9686844169632405, 0.5109952959429004], "label": "Si", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.883539, 0.96097], "xyz": [1.9916822650000012, 8.55458084303676, 12.5813771340571], "label": "Si", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.0, 0.208018, 0.403977], "xyz": [3.238866860214084e-16, 2.0140670619031202, 5.289017337154109], "label": "Ni", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.5, 0.291982, 0.596023], "xyz": [1.9916822650000003, 2.8270213580968804, 7.80335509284589], "label": "Ni", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.0, 0.208018, 0.096023], "xyz": [3.238866860214084e-16, 2.0140670619031202, 1.25716887784589], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.5, 0.291982, 0.903977], "xyz": [1.9916822650000003, 2.8270213580968804, 11.83520355215411], "label": "Ni", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.5, 0.708018, 0.403977], "xyz": [1.991682265000001, 6.855155481903121, 5.28901733715411], "label": "Ni", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.0, 0.791982, 0.596023], "xyz": [1.233126101436448e-15, 7.66810977809688, 7.80335509284589], "label": "Ni", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.5, 0.708018, 0.096023], "xyz": [1.991682265000001, 6.855155481903121, 1.2571688778458905], "label": "Ni", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.0, 0.791982, 0.903977], "xyz": [1.233126101436448e-15, 7.66810977809688, 11.83520355215411], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}]}