{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[11.439687614685237, 0.0, -3.6182914021636194], [8.062300776386158e-16, 5.01348624, 3.0698749381926494e-16], [0.0, 0.0, 18.95016761]], "pbc": [true, true, true], "a": 11.9982701, "b": 5.01348624, "c": 18.95016761, "alpha": 90.0, "beta": 107.55179060000002, "gamma": 89.99999999999999, "volume": 1086.8435895428318}, "sites": [{"species": [{"element": "Sc", "occu": 1}], "abc": [0.165656, 0.5, 0.336485], "xyz": [1.895052891498298, 2.50674312, 5.7770554677340336], "label": "Sc", "properties": {"lmm": -0.1868, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.665656, 0.0, 0.336485], "xyz": [7.614896698840917, 0.0, 3.9679097666522236], "label": "Sc", "properties": {"lmm": -0.1869, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.330741, 0.0, 0.665519], "xyz": [3.7835737213686103, 0.0, 11.414979280996592], "label": "Sc", "properties": {"lmm": -0.2356, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.830741, 0.5, 0.665519], "xyz": [9.503417528711228, 2.50674312, 9.605833579914783], "label": "Sc", "properties": {"lmm": -0.2356, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.498948, 0.5, 0.995766], "xyz": [5.70780925597197, 2.50674312, 17.06459334181253], "label": "Sc", "properties": {"lmm": -0.2103, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.998948, 0.0, 0.995766], "xyz": [11.427653063314587, 0.0, 15.255447640730718], "label": "Sc", "properties": {"lmm": -0.2103, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.049896, 0.0, 0.2748], "xyz": [0.5707946532223346, 0.0, 5.026967791425644], "label": "Ga", "properties": {"lmm": -0.0492, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.549896, 0.5, 0.2748], "xyz": [6.290638460564954, 2.50674312, 3.2178220903438346], "label": "Ga", "properties": {"lmm": -0.0492, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.060767, 0.5, 0.447463], "xyz": [0.6951554972815782, 2.50674312, 8.259626135638154], "label": "Ga", "properties": {"lmm": -0.0698, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.560767, 0.0, 0.447463], "xyz": [6.414999304624197, 0.0, 6.450480434556344], "label": "Ga", "properties": {"lmm": -0.0698, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.063726, 0.5, 0.781628], "xyz": [0.729005532933432, 2.50674312, 14.581402370774802], "label": "Ga", "properties": {"lmm": -0.057, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.563726, 0.0, 0.781628], "xyz": [6.448849340276049, 0.0, 12.772256669692991], "label": "Ga", "properties": {"lmm": -0.057, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.109576, 0.0, 0.555369], "xyz": [1.2535152100667497, 0.0, 10.12785773671461], "label": "Ga", "properties": {"lmm": -0.064, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.609576, 0.5, 0.555369], "xyz": [6.9733590174093685, 2.50674312, 8.3187120356328], "label": "Ga", "properties": {"lmm": -0.064, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.116062, 0.5, 0.058067], "xyz": [1.3277130239355983, 2.50674312, 0.6804332458919563], "label": "Ga", "properties": {"lmm": -0.0508, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.616062, 0.0, 0.058067], "xyz": [7.047556831278216, 0.0, -1.1287124551898537], "label": "Ga", "properties": {"lmm": -0.0508, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.117463, 0.0, 0.890904], "xyz": [1.343740026283772, 0.0, 16.457764761447095], "label": "Ga", "properties": {"lmm": -0.0706, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.617463, 0.5, 0.890904], "xyz": [7.0635838336263905, 2.50674312, 14.648619060365286], "label": "Ga", "properties": {"lmm": -0.0706, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.227025, 0.0, 0.114172], "xyz": [2.597095080723916, 0.0, 1.3421359307927243], "label": "Ga", "properties": {"lmm": -0.047, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.727025, 0.5, 0.114172], "xyz": [8.316938888066534, 2.50674312, -0.4670097702890855], "label": "Ga", "properties": {"lmm": -0.047, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.228705, 0.0, 0.78047], "xyz": [2.616313755916587, 0.0, 13.96251597944487], "label": "Ga", "properties": {"lmm": -0.0714, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.728705, 0.5, 0.78047], "xyz": [8.336157563259206, 2.50674312, 12.15337027836306], "label": "Ga", "properties": {"lmm": -0.0714, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.274988, 0.5, 0.227495], "xyz": [3.1457768177870644, 2.50674312, 3.316081664338781], "label": "Ga", "properties": {"lmm": -0.0421, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.774988, 0.0, 0.227495], "xyz": [8.865620625129683, 0.0, 1.5069359632569712], "label": "Ga", "properties": {"lmm": -0.0421, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.276204, 0.5, 0.888076], "xyz": [3.159687477926522, 2.50674312, 15.82980249197516], "label": "Ga", "properties": {"lmm": -0.0647, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.776204, 0.0, 0.888076], "xyz": [8.87953128526914, 0.0, 14.020656790893351], "label": "Ga", "properties": {"lmm": -0.0647, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.285006, 0.0, 0.392764], "xyz": [3.2603796083109806, 0.0, 6.4117088718089965], "label": "Ga", "properties": {"lmm": -0.0482, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.785006, 0.5, 0.392764], "xyz": [8.9802234156536, 2.50674312, 4.602563170727186], "label": "Ga", "properties": {"lmm": -0.0482, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.394137, 0.5, 0.107829], "xyz": [4.5088041573891955, 2.50674312, 0.6172751048441276], "label": "Ga", "properties": {"lmm": -0.0444, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.894137, 0.0, 0.107829], "xyz": [10.228647964731813, 0.0, -1.191870596237682], "label": "Ga", "properties": {"lmm": -0.0444, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.397353, 0.5, 0.448402], "xyz": [4.545594192758023, 2.50674312, 7.059554113135301], "label": "Ga", "properties": {"lmm": -0.0529, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.897353, 0.0, 0.448402], "xyz": [10.265438000100641, 0.0, 5.250408412053491], "label": "Ga", "properties": {"lmm": -0.0529, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.439964, 0.0, 0.219766], "xyz": [5.033050721707376, 0.0, 2.5726845765177453], "label": "Ga", "properties": {"lmm": -0.047, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.939964, 0.5, 0.219766], "xyz": [10.752894529049994, 2.50674312, 0.7635388754359355], "label": "Ga", "properties": {"lmm": -0.047, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.450622, 0.0, 0.559184], "xyz": [5.1549749123046915, 0.0, 8.966148816604466], "label": "Ga", "properties": {"lmm": -0.0705, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.950622, 0.5, 0.559184], "xyz": [10.874818719647308, 2.50674312, 7.157003115522657], "label": "Ga", "properties": {"lmm": -0.0705, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.45089, 0.5, 0.725201], "xyz": [5.158040748585426, 2.50674312, 12.111229090618057], "label": "Ga", "properties": {"lmm": -0.0537, "soc": null, "ecc": null}}, {"species": [{"element": "Ga", "occu": 1}], "abc": [0.95089, 0.0, 0.725201], "xyz": [10.877884555928045, 0.0, 10.302083389536246], "label": "Ga", "properties": {"lmm": -0.0537, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.083921, 0.250586, 0.166719], "xyz": [0.9600300243119999, 1.2563094629366398, 2.8557023610106174], "label": "Fe", "properties": {"lmm": 1.9068, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.083921, 0.749414, 0.166719], "xyz": [0.9600300243120002, 3.7571767770633597, 2.8557023610106174], "label": "Fe", "properties": {"lmm": 1.9068, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.583921, 0.750586, 0.166719], "xyz": [6.67987383165462, 3.76305258293664, 1.0465566599288076], "label": "Fe", "properties": {"lmm": 1.9068, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.583921, 0.249414, 0.166719], "xyz": [6.679873831654619, 1.2504336570633598, 1.0465566599288072], "label": "Fe", "properties": {"lmm": 1.9068, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.087646, 0.24845, 0.669311], "xyz": [1.0026428606767026, 1.245600656328, 12.366426864982678], "label": "Fe", "properties": {"lmm": 1.9253, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.087646, 0.75155, 0.669311], "xyz": [1.002642860676703, 3.767885583672, 12.366426864982678], "label": "Fe", "properties": {"lmm": 1.9253, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.587646, 0.74845, 0.669311], "xyz": [6.722486668019322, 3.7523437763279994, 10.55728116390087], "label": "Fe", "properties": {"lmm": 1.9254, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.587646, 0.25155, 0.669311], "xyz": [6.722486668019321, 1.261142463672, 10.557281163900868], "label": "Fe", "properties": {"lmm": 1.9254, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.251927, 0.248919, 0.001207], "xyz": [2.881966181704808, 1.2479519813745599, -0.8886724457676041], "label": "Fe", "properties": {"lmm": 1.9261, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.251927, 0.751081, 0.001207], "xyz": [2.8819661817048083, 3.76553425862544, -0.888672445767604], "label": "Fe", "properties": {"lmm": 1.9261, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.751927, 0.748919, 0.001207], "xyz": [8.601809989047426, 3.7546951013745598, -2.6978181468494133], "label": "Fe", "properties": {"lmm": 1.9261, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.751927, 0.251081, 0.001207], "xyz": [8.601809989047426, 1.25879113862544, -2.697818146849414], "label": "Fe", "properties": {"lmm": 1.9261, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.254491, 0.249658, 0.502244], "xyz": [2.911297540748861, 1.2516569477059198, 8.59678538388882], "label": "Fe", "properties": {"lmm": 1.911, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.254491, 0.750342, 0.502244], "xyz": [2.9112975407488615, 3.7618292922940797, 8.59678538388882], "label": "Fe", "properties": {"lmm": 1.911, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.754491, 0.749658, 0.502244], "xyz": [8.631141348091479, 3.75840006770592, 6.7876396828070105], "label": "Fe", "properties": {"lmm": 1.911, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.754491, 0.250342, 0.502244], "xyz": [8.631141348091479, 1.25508617229408, 6.78763968280701], "label": "Fe", "properties": {"lmm": 1.911, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.418966, 0.248264, 0.334831], "xyz": [4.792840161174215, 1.24466814788736, 4.829162495425027], "label": "Fe", "properties": {"lmm": 1.9157, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.418966, 0.751736, 0.334831], "xyz": [4.792840161174216, 3.7688180921126397, 4.829162495425027], "label": "Fe", "properties": {"lmm": 1.9157, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.918966, 0.748264, 0.334831], "xyz": [10.512683968516834, 3.75141126788736, 3.0200167943432183], "label": "Fe", "properties": {"lmm": 1.9157, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.918966, 0.251736, 0.334831], "xyz": [10.512683968516834, 1.26207497211264, 3.020016794343218], "label": "Fe", "properties": {"lmm": 1.9157, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.421114, 0.251744, 0.834574], "xyz": [4.8174126101705586, 1.26211508000256, 14.291604017417411], "label": "Fe", "properties": {"lmm": 1.9202, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.421114, 0.748256, 0.834574], "xyz": [4.817412610170559, 3.75137115999744, 14.291604017417411], "label": "Fe", "properties": {"lmm": 1.9202, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.921114, 0.751744, 0.834574], "xyz": [10.537256417513177, 3.7688582000025597, 12.482458316335602], "label": "Fe", "properties": {"lmm": 1.9202, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.921114, 0.248256, 0.834574], "xyz": [10.537256417513177, 1.2446280399974399, 12.4824583163356], "label": "Fe", "properties": {"lmm": 1.9202, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.07764, 0.5, 0.920075], "xyz": [0.8881773464041622, 2.50674312, 17.15465131930677], "label": "Fe", "properties": {"lmm": 2.0833, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.57764, 0.0, 0.920075], "xyz": [6.608021153746781, 0.0, 15.345505618224957], "label": "Fe", "properties": {"lmm": 2.0833, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.087184, 0.0, 0.414757], "xyz": [0.9973577249987177, 0.0, 7.544257549814537], "label": "Fe", "properties": {"lmm": 1.9248, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.587184, 0.5, 0.414757], "xyz": [6.7172015323413365, 2.50674312, 5.7351118487327275], "label": "Fe", "properties": {"lmm": 1.9248, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.180747, 0.5, 0.590584], "xyz": [2.067689217291513, 2.50674312, 10.537670471717373], "label": "Fe", "properties": {"lmm": 2.4088, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.680747, 0.0, 0.590584], "xyz": [7.787533024634131, 0.0, 8.728524770635563], "label": "Fe", "properties": {"lmm": 2.4088, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.249421, 0.0, 0.252471], "xyz": [2.8532983245424064, 0.0, 3.881889906845258], "label": "Fe", "properties": {"lmm": 1.9352, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.749421, 0.5, 0.252471], "xyz": [8.573142131885024, 2.50674312, 2.0727442057634486], "label": "Fe", "properties": {"lmm": 1.9352, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.253396, 0.5, 0.745406], "xyz": [2.898771082810781, 2.50674312, 13.208708069357009], "label": "Fe", "properties": {"lmm": 2.0924, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.753396, 0.0, 0.745406], "xyz": [8.618614890153399, 0.0, 11.399562368275198], "label": "Fe", "properties": {"lmm": 2.0924, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.347889, 0.0, 0.922792], "xyz": [3.9797414845852326, 0.0, 16.22829929155982], "label": "Fe", "properties": {"lmm": 2.4077, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.847889, 0.5, 0.922792], "xyz": [9.699585291927852, 2.50674312, 14.419153590478011], "label": "Fe", "properties": {"lmm": 2.4077, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.411333, 0.5, 0.587121], "xyz": [4.705521025611323, 2.50674312, 9.637718700024642], "label": "Fe", "properties": {"lmm": 2.104, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.911333, 0.0, 0.587121], "xyz": [10.42536483295394, 0.0, 7.828572998942833], "label": "Fe", "properties": {"lmm": 2.104, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.41853, 0.0, 0.079661], "xyz": [4.787852457374212, 0.0, -0.004774198567329754], "label": "Fe", "properties": {"lmm": 2.0804, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.91853, 0.5, 0.079661], "xyz": [10.50769626471683, 2.50674312, -1.8139198996491392], "label": "Fe", "properties": {"lmm": 2.0804, "soc": null, "ecc": null}}]}