{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.90270499, 0.0, 3.0020409865836284e-16], [-2.4513524949999987, 4.245867068600734, 3.0020409865836284e-16], [0.0, 0.0, 53.33591199]], "pbc": [true, true, true], "a": 4.90270499, "b": 4.902704990000001, "c": 53.33591199, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999999999997, "volume": 1110.2528066720056}, "sites": [{"species": [{"element": "Nb", "occu": 1}], "abc": [0.666667, 0.333333, 0.108535], "xyz": [2.4513549463524957, 1.4152876075778882, 5.788813207834651], "label": "Nb", "properties": {"lmm": 0.0021, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.0, 0.0, 0.273651], "xyz": [0.0, 0.0, 14.59542565197549], "label": "Nb", "properties": {"lmm": -0.0033, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.666667, 0.333333, 0.059682], "xyz": [2.4513549463524957, 1.4152876075778882, 3.18319389938718], "label": "Nb", "properties": {"lmm": -0.0033, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.0, 0.0, 0.224798], "xyz": [0.0, 0.0, 11.98980634352802], "label": "Nb", "properties": {"lmm": 0.0021, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.333333, 0.666667, 0.084633], "xyz": [-2.451352494130028e-06, 2.8305794610228454, 4.513978239449671], "label": "Nb", "properties": {"lmm": 0.005, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.666667, 0.333333, 0.248834], "xyz": [2.4513549463524957, 1.4152876075778882, 13.27178832411966], "label": "Nb", "properties": {"lmm": -0.0039, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.0, 0.0, 0.0845], "xyz": [0.0, 0.0, 4.506884563155], "label": "Nb", "properties": {"lmm": -0.0039, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.333333, 0.666667, 0.248701], "xyz": [-2.451352494130028e-06, 2.8305794610228454, 13.26469464782499], "label": "Nb", "properties": {"lmm": 0.005, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.666667, 0.333333, 0.160323], "xyz": [2.4513549463524957, 1.4152876075778882, 8.55097341797277], "label": "Nb", "properties": {"lmm": 0.0467, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.0, 0.0, 0.326628], "xyz": [0.0, 0.0, 17.42100226146972], "label": "Nb", "properties": {"lmm": 0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.666667, 0.333333, 0.006705], "xyz": [2.4513549463524957, 1.4152876075778882, 0.3576172898929503], "label": "Nb", "properties": {"lmm": 0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.0, 0.0, 0.17301], "xyz": [0.0, 0.0, 9.2276461333899], "label": "Nb", "properties": {"lmm": 0.0466, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Nb", "properties": {"lmm": 0.0016, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.333333, 0.666667, 0.441869], "xyz": [-2.451352494130028e-06, 2.8305794610228454, 23.56748609510931], "label": "Nb", "properties": {"lmm": 0.002, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.666667, 0.333333, 0.606985], "xyz": [2.4513549463524957, 1.4152876075778882, 32.37409853925015], "label": "Nb", "properties": {"lmm": -0.0031, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.333333, 0.666667, 0.393015], "xyz": [-2.451352494130028e-06, 2.8305794610228454, 20.96181345074985], "label": "Nb", "properties": {"lmm": -0.0031, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.666667, 0.333333, 0.558131], "xyz": [2.4513549463524957, 1.4152876075778882, 29.768425894890694], "label": "Nb", "properties": {"lmm": 0.002, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.0, 0.0, 0.417966], "xyz": [0.0, 0.0, 22.29259779081234], "label": "Nb", "properties": {"lmm": 0.0048, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.333333, 0.666667, 0.582167], "xyz": [-2.451352494130028e-06, 2.8305794610228454, 31.05040787548233], "label": "Nb", "properties": {"lmm": -0.0038, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.666667, 0.333333, 0.417833], "xyz": [2.4513549463524957, 1.4152876075778882, 22.28550411451767], "label": "Nb", "properties": {"lmm": -0.0038, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.0, 0.0, 0.582034], "xyz": [0.0, 0.0, 31.043314199187662], "label": "Nb", "properties": {"lmm": 0.0048, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.333333, 0.666667, 0.493657], "xyz": [-2.451352494130028e-06, 2.8305794610228454, 26.32964630524743], "label": "Nb", "properties": {"lmm": 0.0448, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.666667, 0.333333, 0.659962], "xyz": [2.4513549463524957, 1.4152876075778882, 35.19967514874438], "label": "Nb", "properties": {"lmm": 0.0062, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.333333, 0.666667, 0.340038], "xyz": [-2.451352494130028e-06, 2.8305794610228454, 18.13623684125562], "label": "Nb", "properties": {"lmm": 0.0062, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.666667, 0.333333, 0.506343], "xyz": [2.4513549463524957, 1.4152876075778882, 27.00626568475257], "label": "Nb", "properties": {"lmm": 0.0448, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.666667, 0.333333, 0.333333], "xyz": [2.4513549463524957, 1.4152876075778882, 17.77861955136267], "label": "Nb", "properties": {"lmm": 0.0017, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.0, 0.0, 0.775202], "xyz": [0.0, 0.0, 41.346105646471976], "label": "Nb", "properties": {"lmm": 0.0021, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.333333, 0.666667, 0.940318], "xyz": [-2.451352494130028e-06, 2.8305794610228454, 50.15271809061282], "label": "Nb", "properties": {"lmm": -0.0033, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.0, 0.0, 0.726349], "xyz": [0.0, 0.0, 38.74048633802451], "label": "Nb", "properties": {"lmm": -0.0033, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.333333, 0.666667, 0.891465], "xyz": [-2.451352494130028e-06, 2.8305794610228454, 47.54709878216535], "label": "Nb", "properties": {"lmm": 0.0021, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.666667, 0.333333, 0.751299], "xyz": [2.4513549463524957, 1.4152876075778882, 40.07121734217501], "label": "Nb", "properties": {"lmm": 0.005, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.0, 0.0, 0.9155], "xyz": [0.0, 0.0, 48.829027426845], "label": "Nb", "properties": {"lmm": -0.0039, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.333333, 0.666667, 0.751166], "xyz": [-2.451352494130028e-06, 2.8305794610228454, 40.06412366588034], "label": "Nb", "properties": {"lmm": -0.0039, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.666667, 0.333333, 0.915367], "xyz": [2.4513549463524957, 1.4152876075778882, 48.82193375055033], "label": "Nb", "properties": {"lmm": 0.005, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.0, 0.0, 0.82699], "xyz": [0.0, 0.0, 44.1082658566101], "label": "Nb", "properties": {"lmm": 0.0466, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.333333, 0.666667, 0.993295], "xyz": [-2.451352494130028e-06, 2.8305794610228454, 52.97829470010705], "label": "Nb", "properties": {"lmm": 0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.0, 0.0, 0.673372], "xyz": [0.0, 0.0, 35.914909728530276], "label": "Nb", "properties": {"lmm": 0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.333333, 0.666667, 0.839677], "xyz": [-2.451352494130028e-06, 2.8305794610228454, 44.78493857202723], "label": "Nb", "properties": {"lmm": 0.0467, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.333333, 0.666667, 0.666667], "xyz": [-2.451352494130028e-06, 2.8305794610228454, 35.55729243863733], "label": "Nb", "properties": {"lmm": 0.0017, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.16868, 0.33736, 0.039772], "xyz": [4.889673848589738e-16, 1.4323857142631435, 2.12127589166628], "label": "Ni", "properties": {"lmm": 0.0107, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.500158, 0.000317, 0.204027], "xyz": [2.4513500436475053, 0.0013459398607464327, 10.88196611558373], "label": "Ni", "properties": {"lmm": 0.0194, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.16868, 0.83132, 0.039772], "xyz": [-1.2108700784301987, 3.5296742114691617, 2.12127589166628], "label": "Ni", "properties": {"lmm": 0.0107, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.500158, 0.499842, 0.204027], "xyz": [1.226838188582631, 2.122262687303528, 10.88196611558373], "label": "Ni", "properties": {"lmm": 0.0194, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.66264, 0.83132, 0.039772], "xyz": [1.2108700784302013, 3.5296742114691617, 2.1212758916662806], "label": "Ni", "properties": {"lmm": 0.0107, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.999683, 0.499842, 0.204027], "xyz": [3.675861898712381, 2.122262687303528, 10.88196611558373], "label": "Ni", "properties": {"lmm": 0.0194, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.166508, 0.333017, 0.129306], "xyz": [-2.451352494610081e-06, 1.4139459135842105, 6.896653435778941], "label": "Ni", "properties": {"lmm": 0.019, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.497987, 0.995974, 0.293561], "xyz": [1.2351068387471643e-15, 4.228773207782547, 15.65734365969639], "label": "Ni", "properties": {"lmm": 0.0107, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.166508, 0.833492, 0.129306], "xyz": [-1.226843091287619, 3.538896234742163, 6.896653435778941], "label": "Ni", "properties": {"lmm": 0.019, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.497987, 0.502013, 0.293561], "xyz": [1.2108725297826957, 2.13148046470946, 15.65734365969639], "label": "Ni", "properties": {"lmm": 0.0107, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.666983, 0.833492, 0.129306], "xyz": [1.226838188582631, 3.538896234742163, 6.896653435778941], "label": "Ni", "properties": {"lmm": 0.019, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.004026, 0.502013, 0.293561], "xyz": [-1.2108725297826946, 2.13148046470946, 15.65734365969639], "label": "Ni", "properties": {"lmm": 0.0107, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.333333, 0.666667, 0.166667], "xyz": [-2.451352494130028e-06, 2.8305794610228454, 8.889336443637331], "label": "Ni", "properties": {"lmm": 0.0722, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.835347, 0.670693, 0.373105], "xyz": [2.4513549463524957, 2.847673321841032, 19.899895443028953], "label": "Ni", "properties": {"lmm": 0.0107, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.166825, 0.33365, 0.537361], "xyz": [4.80053111939327e-16, 1.4166335474386347, 28.66063900285839], "label": "Ni", "properties": {"lmm": 0.0183, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.835347, 0.164653, 0.373105], "xyz": [3.691837362922295, 0.6990947504463165, 19.899895443028953], "label": "Ni", "properties": {"lmm": 0.0107, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.166825, 0.833175, 0.537361], "xyz": [-1.224511855064874, 3.537550294881416, 28.66063900285839], "label": "Ni", "properties": {"lmm": 0.0183, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.329307, 0.164653, 0.373105], "xyz": [1.2108725297826954, 0.6990947504463165, 19.89989544302895], "label": "Ni", "properties": {"lmm": 0.0107, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.66635, 0.833175, 0.537361], "xyz": [1.2245118550648764, 3.537550294881416, 28.66063900285839], "label": "Ni", "properties": {"lmm": 0.0183, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.833175, 0.66635, 0.462639], "xyz": [2.4513524950000014, 2.8292335211620987, 24.67527298714161], "label": "Ni", "properties": {"lmm": 0.0183, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.164653, 0.329307, 0.626895], "xyz": [-2.4513524946189954e-06, 1.3981937467597019, 33.43601654697105], "label": "Ni", "properties": {"lmm": 0.0107, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.833175, 0.166825, 0.462639], "xyz": [3.6758643500648756, 0.7083167737193173, 24.67527298714161], "label": "Ni", "properties": {"lmm": 0.0183, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.164653, 0.835347, 0.626895], "xyz": [-1.2404848679222937, 3.546772318154417, 33.43601654697105], "label": "Ni", "properties": {"lmm": 0.0107, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.33365, 0.166825, 0.462639], "xyz": [1.2268406399351253, 0.7083167737193173, 24.67527298714161], "label": "Ni", "properties": {"lmm": 0.0183, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.670693, 0.835347, 0.626895], "xyz": [1.2404799652173064, 3.546772318154417, 33.43601654697105], "label": "Ni", "properties": {"lmm": 0.0107, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 26.667955995], "label": "Ni", "properties": {"lmm": 0.069, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.502013, 0.004026, 0.706439], "xyz": [2.451352495, 0.017093860818186552, 37.67856833030361], "label": "Ni", "properties": {"lmm": 0.0107, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.833492, 0.666983, 0.870694], "xyz": [2.451354946352496, 2.831921155016523, 46.439258554221055], "label": "Ni", "properties": {"lmm": 0.019, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.502013, 0.497987, 0.706439], "xyz": [1.2404799652173057, 2.1143866038912735, 37.67856833030361], "label": "Ni", "properties": {"lmm": 0.0107, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.833492, 0.166508, 0.870694], "xyz": [3.6781955862876203, 0.706970833858571, 46.439258554221055], "label": "Ni", "properties": {"lmm": 0.019, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.995974, 0.497987, 0.706439], "xyz": [3.6622250247826957, 2.1143866038912735, 37.67856833030361], "label": "Ni", "properties": {"lmm": 0.0107, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.333017, 0.166508, 0.870694], "xyz": [1.2245143064173705, 0.706970833858571, 46.439258554221055], "label": "Ni", "properties": {"lmm": 0.019, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.499842, 0.999683, 0.795973], "xyz": [2.451352496203488e-06, 4.244521128739987, 42.45394587441627], "label": "Ni", "properties": {"lmm": 0.0194, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.83132, 0.66264, 0.960228], "xyz": [2.451352495000001, 2.8134813543375903, 51.21463609833372], "label": "Ni", "properties": {"lmm": 0.0107, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.499842, 0.500158, 0.795973], "xyz": [1.2245143064173705, 2.1236043812972056, 42.45394587441627], "label": "Ni", "properties": {"lmm": 0.0194, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.83132, 0.16868, 0.960228], "xyz": [3.6622225734302005, 0.7161928571315718, 51.21463609833372], "label": "Ni", "properties": {"lmm": 0.0107, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.000317, 0.500158, 0.795973], "xyz": [-1.2245094037123794, 2.1236043812972056, 42.45394587441627], "label": "Ni", "properties": {"lmm": 0.0194, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.33736, 0.16868, 0.960228], "xyz": [1.2404824165698003, 0.7161928571315718, 51.21463609833372], "label": "Ni", "properties": {"lmm": 0.0107, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.666667, 0.333333, 0.833333], "xyz": [2.4513549463524957, 1.4152876075778882, 44.446575546362666], "label": "Ni", "properties": {"lmm": 0.0722, "soc": null, "ecc": null}}]}