{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.06379858, 0.0, 3.1006823612619563e-16], [3.0342230898633808e-15, 18.86810742, 1.1553383678935712e-15], [0.0, 0.0, 14.22760258]], "pbc": [true, true, true], "a": 5.06379858, "b": 18.86810742, "c": 14.22760258, "alpha": 90.0, "beta": 90.0, "gamma": 89.99999999999999, "volume": 1359.3662660234627}, "sites": [{"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.377045, 0.584572], "xyz": [2.5318992900000015, 7.114125562173901, 8.31705809539576], "label": "Sc", "properties": {"lmm": -0.0021, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.203872, 0.318876], "xyz": [2.5318992900000006, 3.84667879593024, 4.53684100030008], "label": "Sc", "properties": {"lmm": -0.0309, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.203872, 0.181124], "xyz": [6.185931297766271e-16, 3.84667879593024, 2.57696028969992], "label": "Sc", "properties": {"lmm": -0.0309, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.296128, 0.818876], "xyz": [2.531899290000001, 5.587374914069761, 11.65064229030008], "label": "Sc", "properties": {"lmm": -0.0309, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.032865, 0.676933], "xyz": [9.971974184836e-17, 0.6201003503583, 9.63113369728714], "label": "Sc", "properties": {"lmm": -0.0192, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.467135, 0.323067], "xyz": [2.5318992900000015, 8.813953359641701, 4.59646888271286], "label": "Sc", "properties": {"lmm": -0.0192, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.467135, 0.176933], "xyz": [1.4173918030833305e-15, 8.813953359641701, 2.5173324072871406], "label": "Sc", "properties": {"lmm": -0.0192, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.032865, 0.823067], "xyz": [2.53189929, 0.6201003503583, 11.710270172712859], "label": "Sc", "properties": {"lmm": -0.0192, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.377045, 0.915428], "xyz": [1.1440386449175384e-15, 7.114125562173901, 13.02434577460424], "label": "Sc", "properties": {"lmm": -0.0021, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.122955, 0.084572], "xyz": [2.5318992900000006, 2.3199281478261002, 1.2032568053957602], "label": "Sc", "properties": {"lmm": -0.0021, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.122955, 0.415428], "xyz": [3.7307290001415195e-16, 2.3199281478261002, 5.91054448460424], "label": "Sc", "properties": {"lmm": -0.0021, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.296128, 0.681124], "xyz": [8.985184151550632e-16, 5.587374914069761, 9.690761579699918], "label": "Sc", "properties": {"lmm": -0.0309, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.877045, 0.584572], "xyz": [2.6611501898492288e-15, 16.5481792721739, 8.31705809539576], "label": "Sc", "properties": {"lmm": -0.0021, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.703872, 0.318876], "xyz": [2.135704674708318e-15, 13.280732505930242, 4.536841000300081], "label": "Sc", "properties": {"lmm": -0.0309, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.703872, 0.181124], "xyz": [2.5318992900000024, 13.280732505930242, 2.576960289699921], "label": "Sc", "properties": {"lmm": -0.0309, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.796128, 0.818876], "xyz": [2.4156299600867536e-15, 15.02142862406976, 11.65064229030008], "label": "Sc", "properties": {"lmm": -0.0309, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.532865, 0.676933], "xyz": [2.531899290000002, 10.054154060358302, 9.63113369728714], "label": "Sc", "properties": {"lmm": -0.0192, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.967135, 0.323067], "xyz": [2.9345033480150205e-15, 18.2480070696417, 4.596468882712861], "label": "Sc", "properties": {"lmm": -0.0192, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.967135, 0.176933], "xyz": [2.5318992900000032, 18.2480070696417, 2.517332407287141], "label": "Sc", "properties": {"lmm": -0.0192, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.532865, 0.823067], "xyz": [1.6168312867800505e-15, 10.054154060358302, 11.71027017271286], "label": "Sc", "properties": {"lmm": -0.0192, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.877045, 0.915428], "xyz": [2.531899290000003, 16.5481792721739, 13.02434577460424], "label": "Sc", "properties": {"lmm": -0.0021, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.622955, 0.084572], "xyz": [1.8901844449458426e-15, 11.753981857826101, 1.2032568053957606], "label": "Sc", "properties": {"lmm": -0.0021, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.622955, 0.415428], "xyz": [2.531899290000002, 11.753981857826101, 5.910544484604241], "label": "Sc", "properties": {"lmm": -0.0021, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.796128, 0.681124], "xyz": [2.5318992900000024, 15.02142862406976, 9.69076157969992], "label": "Sc", "properties": {"lmm": -0.0309, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.25, 0.0], "xyz": [3.797848935000001, 4.717026855, 5.213857690680395e-16], "label": "Fe", "properties": {"lmm": 1.0568, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.25, 0.0], "xyz": [1.2659496450000007, 4.717026855, 3.663516510049417e-16], "label": "Fe", "properties": {"lmm": 1.0568, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.25, 0.5], "xyz": [1.2659496450000007, 4.717026855, 7.11380129], "label": "Fe", "properties": {"lmm": 1.0567, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.25, 0.5], "xyz": [3.797848935000001, 4.717026855, 7.1138012900000005], "label": "Fe", "properties": {"lmm": 1.0567, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.161201, 0.75], "xyz": [3.7978489350000006, 3.0415577842114203, 10.670701935], "label": "Fe", "properties": {"lmm": 1.0303, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.338799, 0.25], "xyz": [1.2659496450000012, 6.39249592578858, 3.5569006450000002], "label": "Fe", "properties": {"lmm": 1.0303, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.338799, 0.25], "xyz": [3.797848935000001, 6.39249592578858, 3.5569006450000002], "label": "Fe", "properties": {"lmm": 1.0303, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.161201, 0.75], "xyz": [1.2659496450000005, 3.0415577842114203, 10.670701935], "label": "Fe", "properties": {"lmm": 1.0303, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.459052, 0.623238], "xyz": [1.3928661778479648e-15, 8.661442447365841, 8.86718257675404], "label": "Fe", "properties": {"lmm": 0.0181, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.040948, 0.376762], "xyz": [2.53189929, 0.77261126263416, 5.3604200032459595], "label": "Fe", "properties": {"lmm": 0.018, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.040948, 0.123238], "xyz": [1.242453670837257e-16, 0.77261126263416, 1.75338128675404], "label": "Fe", "properties": {"lmm": 0.018, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.459052, 0.876762], "xyz": [2.5318992900000015, 8.661442447365841, 12.47422129324596], "label": "Fe", "properties": {"lmm": 0.0181, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.75, 0.0], "xyz": [1.2659496450000023, 14.151080565, 9.440208349517274e-16], "label": "Fe", "properties": {"lmm": 1.0568, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.75, 0.0], "xyz": [3.7978489350000024, 14.151080565, 1.0990549530148251e-15], "label": "Fe", "properties": {"lmm": 1.0568, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.75, 0.5], "xyz": [3.7978489350000024, 14.151080565, 7.1138012900000005], "label": "Fe", "properties": {"lmm": 1.0567, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.75, 0.5], "xyz": [1.2659496450000023, 14.151080565, 7.1138012900000005], "label": "Fe", "properties": {"lmm": 1.0567, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.661201, 0.75], "xyz": [1.265949645000002, 12.475611494211421, 10.670701935], "label": "Fe", "properties": {"lmm": 1.0303, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.838799, 0.25], "xyz": [3.797848935000003, 15.82654963578858, 3.556900645000001], "label": "Fe", "properties": {"lmm": 1.0303, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.838799, 0.25], "xyz": [1.2659496450000025, 15.82654963578858, 3.5569006450000007], "label": "Fe", "properties": {"lmm": 1.0303, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.661201, 0.75], "xyz": [3.7978489350000024, 12.475611494211421, 10.670701935], "label": "Fe", "properties": {"lmm": 1.0303, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.959052, 0.623238], "xyz": [2.5318992900000032, 18.09549615736584, 8.86718257675404], "label": "Fe", "properties": {"lmm": 0.018, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.540948, 0.376762], "xyz": [1.641356912015416e-15, 10.20666497263416, 5.36042000324596], "label": "Fe", "properties": {"lmm": 0.0181, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.540948, 0.123238], "xyz": [2.531899290000002, 10.20666497263416, 1.7533812867540406], "label": "Fe", "properties": {"lmm": 0.0181, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.959052, 0.876762], "xyz": [2.909977722779655e-15, 18.09549615736584, 12.47422129324596], "label": "Fe", "properties": {"lmm": 0.018, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.140084, 0.49244], "xyz": [2.5318992900000006, 2.64311995982328, 7.0062406144952], "label": "Si", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.359916, 0.50756], "xyz": [1.0920654376112687e-15, 6.790933750176721, 7.2213619655048005], "label": "Si", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.359916, 0.99244], "xyz": [2.531899290000001, 6.790933750176721, 14.1200419044952], "label": "Si", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.140084, 0.00756], "xyz": [4.250461073204218e-16, 2.64311995982328, 0.10756067550480015], "label": "Si", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.235599, 0.643292], "xyz": [2.531899290000001, 4.44530724004458, 9.15250291889336], "label": "Si", "properties": {"lmm": -0.0216, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.264401, 0.356708], "xyz": [8.022516191829678e-16, 4.98874646995542, 5.07509966110664], "label": "Si", "properties": {"lmm": -0.0215, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.264401, 0.143292], "xyz": [2.531899290000001, 4.98874646995542, 2.0387016288933606], "label": "Si", "properties": {"lmm": -0.0216, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.235599, 0.856708], "xyz": [7.148599257487226e-16, 4.44530724004458, 12.18890095110664], "label": "Si", "properties": {"lmm": -0.0216, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.087036, 0.643589], "xyz": [2.5318992900000006, 1.6422045974071202, 9.15672851685962], "label": "Si", "properties": {"lmm": -0.0153, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.412964, 0.356411], "xyz": [1.253024904082341e-15, 7.791849112592881, 5.07087406314038], "label": "Si", "properties": {"lmm": -0.0153, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.412964, 0.143589], "xyz": [2.5318992900000015, 7.791849112592881, 2.0429272268596206], "label": "Si", "properties": {"lmm": -0.0153, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.087036, 0.856411], "xyz": [2.640866408493492e-16, 1.6422045974071202, 12.18467535314038], "label": "Si", "properties": {"lmm": -0.0153, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.16714, 0.899333], "xyz": [2.5318992900000006, 3.1536154741788005, 12.795352511079141], "label": "Si", "properties": {"lmm": -0.0149, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.33286, 0.100667], "xyz": [1.009971497691925e-15, 6.2804382358212, 1.4322500689208604], "label": "Si", "properties": {"lmm": -0.0149, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.33286, 0.399333], "xyz": [2.531899290000001, 6.2804382358212, 5.681551221079141], "label": "Si", "properties": {"lmm": -0.0149, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.16714, 0.600667], "xyz": [5.071400472397655e-16, 3.1536154741788005, 8.54605135892086], "label": "Si", "properties": {"lmm": -0.0149, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.25, 0.414192, 0.75], "xyz": [1.2659496450000014, 7.815019148504641, 10.670701935], "label": "Si", "properties": {"lmm": 0.0038, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.746657, 0.0, 0.0], "xyz": [3.7809206563470603, 0.0, 2.3151461898127686e-16], "label": "Si", "properties": {"lmm": 0.001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.25, 0.085808, 0.25], "xyz": [1.2659496450000003, 1.61903456149536, 3.556900645], "label": "Si", "properties": {"lmm": 0.0038, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.75, 0.414192, 0.75], "xyz": [3.7978489350000015, 7.815019148504641, 10.670701935], "label": "Si", "properties": {"lmm": 0.0038, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.246657, 0.0, 0.5], "xyz": [1.24902136634706, 0.0, 7.11380129], "label": "Si", "properties": {"lmm": 0.001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.253343, 0.0, 0.0], "xyz": [1.28287792365294, 0.0, 7.855361714491877e-17], "label": "Si", "properties": {"lmm": 0.001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.753343, 0.0, 0.5], "xyz": [3.81477721365294, 0.0, 7.11380129], "label": "Si", "properties": {"lmm": 0.001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.75, 0.085808, 0.25], "xyz": [3.7978489350000006, 1.61903456149536, 3.5569006450000002], "label": "Si", "properties": {"lmm": 0.0038, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.640084, 0.49244], "xyz": [1.9421576522521123e-15, 12.07717366982328, 7.0062406144952005], "label": "Si", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.859916, 0.50756], "xyz": [2.531899290000003, 16.22498746017672, 7.2213619655048005], "label": "Si", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.859916, 0.99244], "xyz": [2.609176982542959e-15, 16.22498746017672, 14.1200419044952], "label": "Si", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.640084, 0.00756], "xyz": [2.531899290000002, 12.07717366982328, 0.10756067550480089], "label": "Si", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.735599, 0.643292], "xyz": [2.231971470680413e-15, 13.879360950044582, 9.15250291889336], "label": "Si", "properties": {"lmm": -0.0215, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.764401, 0.356708], "xyz": [2.5318992900000024, 14.42280017995542, 5.075099661106641], "label": "Si", "properties": {"lmm": -0.0216, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.764401, 0.143292], "xyz": [2.319363164114658e-15, 14.42280017995542, 2.0387016288933606], "label": "Si", "properties": {"lmm": -0.0216, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.735599, 0.856708], "xyz": [2.5318992900000024, 13.879360950044582, 12.18890095110664], "label": "Si", "properties": {"lmm": -0.0216, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.587036, 0.643589], "xyz": [1.7811981857810395e-15, 11.076258307407121, 9.15672851685962], "label": "Si", "properties": {"lmm": -0.0153, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.912964, 0.356411], "xyz": [2.531899290000003, 17.225902822592882, 5.070874063140381], "label": "Si", "properties": {"lmm": -0.0153, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.912964, 0.143589], "xyz": [2.7701364490140315e-15, 17.225902822592882, 2.042927226859621], "label": "Si", "properties": {"lmm": -0.0153, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.587036, 0.856411], "xyz": [2.531899290000002, 11.076258307407121, 12.184675353140381], "label": "Si", "properties": {"lmm": -0.0153, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.66714, 0.899333], "xyz": [2.024251592171456e-15, 12.5876691841788, 12.795352511079141], "label": "Si", "properties": {"lmm": -0.0149, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.83286, 0.100667], "xyz": [2.531899290000003, 15.714491945821202, 1.432250068920861], "label": "Si", "properties": {"lmm": -0.0149, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.83286, 0.399333], "xyz": [2.5270830426236156e-15, 15.714491945821202, 5.681551221079141], "label": "Si", "properties": {"lmm": -0.0149, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.66714, 0.600667], "xyz": [2.5318992900000024, 12.5876691841788, 8.54605135892086], "label": "Si", "properties": {"lmm": -0.0149, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.75, 0.914192, 0.75], "xyz": [3.797848935000003, 17.24907285850464, 10.670701935], "label": "Si", "properties": {"lmm": 0.0038, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.246657, 0.5, 0.0], "xyz": [1.2490213663470615, 9.43405371, 6.541496848649646e-16], "label": "Si", "properties": {"lmm": 0.001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.75, 0.585808, 0.25], "xyz": [3.797848935000002, 11.05308827149536, 3.5569006450000007], "label": "Si", "properties": {"lmm": 0.0038, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.25, 0.914192, 0.75], "xyz": [1.2659496450000027, 17.24907285850464, 10.670701935], "label": "Si", "properties": {"lmm": 0.0038, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.746657, 0.5, 0.5], "xyz": [3.7809206563470616, 9.43405371, 7.1138012900000005], "label": "Si", "properties": {"lmm": 0.001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.753343, 0.5, 0.0], "xyz": [3.8147772136529414, 9.43405371, 8.112569191548023e-16], "label": "Si", "properties": {"lmm": 0.001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.253343, 0.5, 0.5], "xyz": [1.2828779236529415, 9.43405371, 7.1138012900000005], "label": "Si", "properties": {"lmm": 0.001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.25, 0.585808, 0.25], "xyz": [1.2659496450000018, 11.05308827149536, 3.5569006450000007], "label": "Si", "properties": {"lmm": 0.0038, "soc": null, "ecc": null}}]}