{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.69379174, 0.0, 4.098765314274996e-16], [1.0764438109312384e-15, 6.69379174, 4.098765314274996e-16], [0.0, 0.0, 6.69379174]], "pbc": [true, true, true], "a": 6.69379174, "b": 6.69379174, "c": 6.69379174, "alpha": 90.0, "beta": 90.0, "gamma": 89.99999999999999, "volume": 299.92770809061193}, "sites": [{"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Zr", "properties": {"lmm": -0.0166, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.5, 0.5], "xyz": [5.382219054656192e-16, 3.34689587, 3.34689587], "label": "Zr", "properties": {"lmm": -0.0166, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.0, 0.5], "xyz": [3.34689587, 0.0, 3.34689587], "label": "Zr", "properties": {"lmm": -0.0166, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.5, 0.0], "xyz": [3.3468958700000004, 3.34689587, 4.098765314274996e-16], "label": "Zr", "properties": {"lmm": -0.0166, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.75, 0.25, 0.25], "xyz": [5.0203438049999995, 1.673447935, 1.6734479350000004], "label": "Ni", "properties": {"lmm": 0.2431, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.623972, 0.876028, 0.123972], "xyz": [4.176738619591281, 5.86394899040872, 0.8298427495912806], "label": "Ni", "properties": {"lmm": 0.0634, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.623972, 0.123972, 0.876028], "xyz": [4.17673861959128, 0.82984274959128, 5.86394899040872], "label": "Ni", "properties": {"lmm": 0.0634, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.876028, 0.123972, 0.623972], "xyz": [5.86394899040872, 0.82984274959128, 4.17673861959128], "label": "Ni", "properties": {"lmm": 0.0634, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.876028, 0.876028, 0.376028], "xyz": [5.863948990408721, 5.86394899040872, 2.5170531204087205], "label": "Ni", "properties": {"lmm": 0.0634, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.75, 0.75, 0.75], "xyz": [5.020343805, 5.0203438049999995, 5.020343805], "label": "Ni", "properties": {"lmm": 0.2431, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.623972, 0.376028, 0.623972], "xyz": [4.17673861959128, 2.5170531204087196, 4.17673861959128], "label": "Ni", "properties": {"lmm": 0.0634, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.623972, 0.623972, 0.376028], "xyz": [4.176738619591281, 4.17673861959128, 2.5170531204087205], "label": "Ni", "properties": {"lmm": 0.0634, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.876028, 0.623972, 0.123972], "xyz": [5.863948990408721, 4.17673861959128, 0.8298427495912806], "label": "Ni", "properties": {"lmm": 0.0634, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.876028, 0.376028, 0.876028], "xyz": [5.86394899040872, 2.5170531204087196, 5.863948990408721], "label": "Ni", "properties": {"lmm": 0.0634, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.25, 0.25, 0.75], "xyz": [1.6734479350000002, 1.673447935, 5.020343805], "label": "Ni", "properties": {"lmm": 0.2431, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.123972, 0.876028, 0.623972], "xyz": [0.8298427495912809, 5.86394899040872, 4.17673861959128], "label": "Ni", "properties": {"lmm": 0.0634, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.123972, 0.123972, 0.376028], "xyz": [0.8298427495912801, 0.82984274959128, 2.51705312040872], "label": "Ni", "properties": {"lmm": 0.0634, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.376028, 0.123972, 0.123972], "xyz": [2.5170531204087196, 0.82984274959128, 0.8298427495912802], "label": "Ni", "properties": {"lmm": 0.0634, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.376028, 0.876028, 0.876028], "xyz": [2.5170531204087205, 5.86394899040872, 5.863948990408721], "label": "Ni", "properties": {"lmm": 0.0634, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.25, 0.75, 0.25], "xyz": [1.6734479350000009, 5.0203438049999995, 1.6734479350000004], "label": "Ni", "properties": {"lmm": 0.2431, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.123972, 0.376028, 0.123972], "xyz": [0.8298427495912805, 2.5170531204087196, 0.8298427495912802], "label": "Ni", "properties": {"lmm": 0.0634, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.123972, 0.623972, 0.876028], "xyz": [0.8298427495912807, 4.17673861959128, 5.86394899040872], "label": "Ni", "properties": {"lmm": 0.0634, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.376028, 0.623972, 0.623972], "xyz": [2.5170531204087205, 4.17673861959128, 4.17673861959128], "label": "Ni", "properties": {"lmm": 0.0634, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.376028, 0.376028, 0.376028], "xyz": [2.51705312040872, 2.5170531204087196, 2.51705312040872], "label": "Ni", "properties": {"lmm": 0.0634, "soc": null, "ecc": null}}]}