{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[14.35756071, 0.0, 8.791470383532649e-16], [2.308871857185837e-15, 14.35756071, 8.791470383532649e-16], [0.0, 0.0, 14.35756071]], "pbc": [true, true, true], "a": 14.35756071, "b": 14.35756071, "c": 14.35756071, "alpha": 90.0, "beta": 90.0, "gamma": 89.99999999999999, "volume": 2959.66109727178}, "sites": [{"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Sc", "properties": {"lmm": 0.1077, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [7.178780355000001, 7.178780355, 7.178780355000001], "label": "Sc", "properties": {"lmm": 0.0464, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.37507, 0.0, 0.0], "xyz": [5.3850902954997, 0.0, 3.297416796751591e-16], "label": "Sc", "properties": {"lmm": -0.0242, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.37507, 0.0], "xyz": [8.659885674746919e-16, 5.3850902954997, 3.297416796751591e-16], "label": "Sc", "properties": {"lmm": -0.0242, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.0, 0.37507], "xyz": [0.0, 0.0, 5.3850902954997], "label": "Sc", "properties": {"lmm": -0.0242, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.62493, 0.0], "xyz": [1.442883289711145e-15, 8.9724704145003, 5.494053586781058e-16], "label": "Sc", "properties": {"lmm": -0.0242, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.0, 0.62493], "xyz": [0.0, 0.0, 8.9724704145003], "label": "Sc", "properties": {"lmm": -0.0242, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.62493, 0.0, 0.0], "xyz": [8.9724704145003, 0.0, 5.494053586781058e-16], "label": "Sc", "properties": {"lmm": -0.0242, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.249718, 0.5, 0.0], "xyz": [3.5853413453797813, 7.178780355, 6.591123593001331e-16], "label": "Sc", "properties": {"lmm": -0.0207, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.249718, 0.5], "xyz": [5.765668624327328e-16, 3.58534134537978, 7.178780355], "label": "Sc", "properties": {"lmm": -0.0207, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.0, 0.249718], "xyz": [7.178780355, 0.0, 3.5853413453797804], "label": "Sc", "properties": {"lmm": -0.0207, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.750282, 0.5], "xyz": [1.7323049947531041e-15, 10.77221936462022, 7.178780355000001], "label": "Sc", "properties": {"lmm": -0.0207, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.0, 0.750282], "xyz": [7.178780355, 0.0, 10.77221936462022], "label": "Sc", "properties": {"lmm": -0.0207, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.750282, 0.5, 0.0], "xyz": [10.772219364620222, 7.178780355, 1.0991817174063969e-15], "label": "Sc", "properties": {"lmm": -0.0207, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.124534, 0.5, 0.5], "xyz": [1.7880044654591412, 7.178780355, 7.178780355000001], "label": "Sc", "properties": {"lmm": -0.0045, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.124534, 0.5], "xyz": [7.178780355, 1.78800446545914, 7.178780355000001], "label": "Sc", "properties": {"lmm": -0.0045, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.5, 0.124534], "xyz": [7.178780355000001, 7.178780355, 1.788004465459141], "label": "Sc", "properties": {"lmm": -0.0045, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.875466, 0.5], "xyz": [7.178780355000002, 12.569556244540859, 7.178780355000001], "label": "Sc", "properties": {"lmm": -0.0045, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.5, 0.875466], "xyz": [7.178780355000001, 7.178780355, 12.56955624454086], "label": "Sc", "properties": {"lmm": -0.0045, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.875466, 0.5, 0.5], "xyz": [12.56955624454086, 7.178780355, 7.178780355000001], "label": "Sc", "properties": {"lmm": -0.0045, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.112106, 0.187737], "xyz": [2.5883838842167543e-16, 1.60956870095526, 2.6954453750132696], "label": "Sc", "properties": {"lmm": -0.0076, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.187737, 0.0, 0.112106], "xyz": [2.6954453750132696, 0.0, 1.6095687009552602], "label": "Sc", "properties": {"lmm": -0.0076, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.112106, 0.187737, 0.0], "xyz": [1.6095687009552604, 2.6954453750132696, 2.63606085420958e-16], "label": "Sc", "properties": {"lmm": -0.0076, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.887894, 0.812263, 0.0], "xyz": [12.74799200904474, 11.662115334986728, 1.4946879912855717e-15], "label": "Sc", "properties": {"lmm": -0.0076, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.187737, 0.0, 0.887894], "xyz": [2.6954453750132696, 0.0, 12.74799200904474], "label": "Sc", "properties": {"lmm": -0.0076, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.887894, 0.187737, 0.0], "xyz": [12.747992009044738, 2.6954453750132696, 9.456378080109607e-16], "label": "Sc", "properties": {"lmm": -0.0076, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.812263, 0.0, 0.112106], "xyz": [11.662115334986728, 0.0, 1.6095687009552606], "label": "Sc", "properties": {"lmm": -0.0076, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.812263, 0.0, 0.887894], "xyz": [11.662115334986728, 0.0, 12.74799200904474], "label": "Sc", "properties": {"lmm": -0.0076, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.112106, 0.812263, 0.0], "xyz": [1.6095687009552617, 11.662115334986728, 8.126562686955691e-16], "label": "Sc", "properties": {"lmm": -0.0076, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.887894, 0.812263], "xyz": [2.0500334687641615e-15, 12.747992009044738, 11.66211533498673], "label": "Sc", "properties": {"lmm": -0.0076, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.112106, 0.812263], "xyz": [2.5883838842167543e-16, 1.60956870095526, 11.66211533498673], "label": "Sc", "properties": {"lmm": -0.0076, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.887894, 0.187737], "xyz": [2.0500334687641615e-15, 12.747992009044738, 2.6954453750132705], "label": "Sc", "properties": {"lmm": -0.0076, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.394323, 0.334485], "xyz": [9.104412773410907e-16, 5.6615164118493295, 4.80238869408435], "label": "Sc", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.334485, 0.0, 0.394323], "xyz": [4.80238869408435, 0.0, 5.6615164118493295], "label": "Sc", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.394323, 0.334485, 0.0], "xyz": [5.66151641184933, 4.80238869408435, 6.407293947281663e-16], "label": "Sc", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.605677, 0.665515, 0.0], "xyz": [8.696044298150671, 9.55517201591565, 1.1175646819783635e-15], "label": "Sc", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.334485, 0.0, 0.605677], "xyz": [4.80238869408435, 0.0, 8.696044298150671], "label": "Sc", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.605677, 0.334485, 0.0], "xyz": [8.69604429815067, 4.80238869408435, 8.265406378722822e-16], "label": "Sc", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.665515, 0.0, 0.394323], "xyz": [9.55517201591565, 0.0, 5.66151641184933], "label": "Sc", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.665515, 0.0, 0.605677], "xyz": [9.55517201591565, 0.0, 8.696044298150671], "label": "Sc", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.394323, 0.665515, 0.0], "xyz": [5.661516411849331, 9.55517201591565, 9.317534388342476e-16], "label": "Sc", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.605677, 0.665515], "xyz": [1.3984305798447463e-15, 8.69604429815067, 9.55517201591565], "label": "Sc", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.394323, 0.665515], "xyz": [9.104412773410907e-16, 5.6615164118493295, 9.55517201591565], "label": "Sc", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.0, 0.605677, 0.334485], "xyz": [1.3984305798447463e-15, 8.69604429815067, 4.80238869408435], "label": "Sc", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.388252, 0.311073], "xyz": [7.178780355000001, 5.57435166077892, 4.466249482741831], "label": "Sc", "properties": {"lmm": 0.0015, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.311073, 0.5, 0.388252], "xyz": [4.466249482741831, 7.178780355, 5.5743516607789205], "label": "Sc", "properties": {"lmm": 0.0015, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.388252, 0.311073, 0.5], "xyz": [5.5743516607789205, 4.46624948274183, 7.178780355000001], "label": "Sc", "properties": {"lmm": 0.0015, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.611748, 0.688927, 0.5], "xyz": [8.783209049221082, 9.89131122725817, 7.178780355000001], "label": "Sc", "properties": {"lmm": 0.0015, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.311073, 0.5, 0.611748], "xyz": [4.466249482741831, 7.178780355, 8.78320904922108], "label": "Sc", "properties": {"lmm": 0.0015, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.611748, 0.311073, 0.5], "xyz": [8.78320904922108, 4.46624948274183, 7.178780355000001], "label": "Sc", "properties": {"lmm": 0.0015, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.688927, 0.5, 0.388252], "xyz": [9.891311227258171, 7.178780355, 5.5743516607789205], "label": "Sc", "properties": {"lmm": 0.0015, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.688927, 0.5, 0.611748], "xyz": [9.891311227258171, 7.178780355, 8.78320904922108], "label": "Sc", "properties": {"lmm": 0.0015, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.388252, 0.688927, 0.5], "xyz": [5.574351660778921, 9.89131122725817, 7.178780355000001], "label": "Sc", "properties": {"lmm": 0.0015, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.611748, 0.688927], "xyz": [7.178780355000002, 8.78320904922108, 9.89131122725817], "label": "Sc", "properties": {"lmm": 0.0015, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.388252, 0.688927], "xyz": [7.178780355000001, 5.57435166077892, 9.89131122725817], "label": "Sc", "properties": {"lmm": 0.0015, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.611748, 0.311073], "xyz": [7.178780355000002, 8.78320904922108, 4.466249482741831], "label": "Sc", "properties": {"lmm": 0.0015, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.152493, 0.105714], "xyz": [7.178780355, 2.1894275053500296, 1.5177951728969405], "label": "Sc", "properties": {"lmm": -0.0121, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.105714, 0.5, 0.152493], "xyz": [1.517795172896941, 7.178780355, 2.1894275053500305], "label": "Sc", "properties": {"lmm": -0.0121, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.152493, 0.105714, 0.5], "xyz": [2.18942750535003, 1.5177951728969399, 7.178780355], "label": "Sc", "properties": {"lmm": -0.0121, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.847507, 0.894286, 0.5], "xyz": [12.16813320464997, 12.83976553710306, 7.178780355000002], "label": "Sc", "properties": {"lmm": -0.0121, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.105714, 0.5, 0.847507], "xyz": [1.517795172896941, 7.178780355, 12.16813320464997], "label": "Sc", "properties": {"lmm": -0.0121, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.847507, 0.105714, 0.5], "xyz": [12.168133204649969, 1.5177951728969399, 7.178780355000001], "label": "Sc", "properties": {"lmm": -0.0121, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.894286, 0.5, 0.152493], "xyz": [12.839765537103062, 7.178780355, 2.189427505350031], "label": "Sc", "properties": {"lmm": -0.0121, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.894286, 0.5, 0.847507], "xyz": [12.839765537103062, 7.178780355, 12.16813320464997], "label": "Sc", "properties": {"lmm": -0.0121, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.152493, 0.894286, 0.5], "xyz": [2.189427505350032, 12.83976553710306, 7.178780355000001], "label": "Sc", "properties": {"lmm": -0.0121, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.847507, 0.894286], "xyz": [7.178780355000002, 12.168133204649969, 12.83976553710306], "label": "Sc", "properties": {"lmm": -0.0121, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.152493, 0.894286], "xyz": [7.178780355, 2.1894275053500296, 12.83976553710306], "label": "Sc", "properties": {"lmm": -0.0121, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.5, 0.847507, 0.105714], "xyz": [7.178780355000002, 12.168133204649969, 1.5177951728969412], "label": "Sc", "properties": {"lmm": -0.0121, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.29241, 0.183652, 0.112601], "xyz": [4.1982943272111, 2.63679473951292, 1.6166756935067104], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.112601, 0.29241, 0.183652], "xyz": [1.6166756935067108, 4.1982943272111, 2.6367947395129203], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.183652, 0.112601, 0.29241], "xyz": [2.6367947395129203, 1.6166756935067101, 4.1982943272111], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.816348, 0.887399, 0.29241], "xyz": [11.720765970487081, 12.74088501649329, 4.1982943272111015], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.112601, 0.70759, 0.816348], "xyz": [1.6166756935067117, 10.1592663827889, 11.72076597048708], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.816348, 0.112601, 0.70759], "xyz": [11.72076597048708, 1.6166756935067101, 10.159266382788902], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.887399, 0.70759, 0.183652], "xyz": [12.740885016493293, 10.1592663827889, 2.6367947395129216], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.887399, 0.29241, 0.816348], "xyz": [12.74088501649329, 4.1982943272111, 11.720765970487081], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.183652, 0.887399, 0.70759], "xyz": [2.636794739512922, 12.74088501649329, 10.159266382788902], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.29241, 0.816348, 0.887399], "xyz": [4.1982943272111015, 11.72076597048708, 12.74088501649329], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.70759, 0.183652, 0.887399], "xyz": [10.1592663827889, 2.63679473951292, 12.74088501649329], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.70759, 0.816348, 0.112601], "xyz": [10.159266382788902, 11.72076597048708, 1.6166756935067115], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.70759, 0.816348, 0.887399], "xyz": [10.159266382788902, 11.72076597048708, 12.740885016493293], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.887399, 0.70759, 0.816348], "xyz": [12.740885016493293, 10.1592663827889, 11.720765970487081], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.816348, 0.887399, 0.70759], "xyz": [11.720765970487081, 12.74088501649329, 10.159266382788902], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.183652, 0.112601, 0.70759], "xyz": [2.6367947395129203, 1.6166756935067101, 10.1592663827889], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.887399, 0.29241, 0.183652], "xyz": [12.74088501649329, 4.1982943272111, 2.636794739512921], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.183652, 0.887399, 0.29241], "xyz": [2.636794739512922, 12.74088501649329, 4.198294327211101], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.112601, 0.29241, 0.816348], "xyz": [1.6166756935067108, 4.1982943272111, 11.72076597048708], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.112601, 0.70759, 0.183652], "xyz": [1.6166756935067117, 10.1592663827889, 2.6367947395129208], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.816348, 0.112601, 0.29241], "xyz": [11.72076597048708, 1.6166756935067101, 4.198294327211101], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.70759, 0.183652, 0.112601], "xyz": [10.1592663827889, 2.63679473951292, 1.6166756935067108], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.29241, 0.816348, 0.112601], "xyz": [4.1982943272111015, 11.72076597048708, 1.616675693506711], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.29241, 0.183652, 0.887399], "xyz": [4.1982943272111, 2.63679473951292, 12.74088501649329], "label": "Sc", "properties": {"lmm": -0.0167, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.200853, 0.307523, 0.388254], "xyz": [2.8837591412856307, 4.41528014222133, 5.57438037590034], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.388254, 0.200853, 0.307523], "xyz": [5.574380375900341, 2.88375914128563, 4.41528014222133], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.307523, 0.388254, 0.200853], "xyz": [4.415280142221331, 5.57438037590034, 2.8837591412856307], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.692477, 0.611746, 0.200853], "xyz": [9.942280567778672, 8.78318033409966, 2.883759141285631], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.388254, 0.799147, 0.692477], "xyz": [5.574380375900342, 11.47380156871437, 9.94228056777867], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.692477, 0.388254, 0.799147], "xyz": [9.942280567778672, 5.57438037590034, 11.473801568714372], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.611746, 0.799147, 0.307523], "xyz": [8.783180334099661, 11.47380156871437, 4.415280142221331], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.611746, 0.200853, 0.692477], "xyz": [8.78318033409966, 2.88375914128563, 9.94228056777867], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.307523, 0.611746, 0.799147], "xyz": [4.415280142221332, 8.78318033409966, 11.473801568714372], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.200853, 0.692477, 0.611746], "xyz": [2.8837591412856316, 9.94228056777867, 8.783180334099661], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.799147, 0.307523, 0.611746], "xyz": [11.47380156871437, 4.41528014222133, 8.783180334099661], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.799147, 0.692477, 0.388254], "xyz": [11.473801568714372, 9.94228056777867, 5.574380375900341], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.799147, 0.692477, 0.611746], "xyz": [11.473801568714372, 9.94228056777867, 8.783180334099661], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.611746, 0.799147, 0.692477], "xyz": [8.783180334099661, 11.47380156871437, 9.94228056777867], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.692477, 0.611746, 0.799147], "xyz": [9.942280567778672, 8.78318033409966, 11.473801568714372], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.307523, 0.388254, 0.799147], "xyz": [4.415280142221331, 5.57438037590034, 11.473801568714372], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.611746, 0.200853, 0.307523], "xyz": [8.78318033409966, 2.88375914128563, 4.415280142221331], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.307523, 0.611746, 0.200853], "xyz": [4.415280142221332, 8.78318033409966, 2.8837591412856307], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.388254, 0.200853, 0.692477], "xyz": [5.574380375900341, 2.88375914128563, 9.94228056777867], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.388254, 0.799147, 0.307523], "xyz": [5.574380375900342, 11.47380156871437, 4.415280142221331], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.692477, 0.388254, 0.200853], "xyz": [9.942280567778672, 5.57438037590034, 2.8837591412856307], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.799147, 0.307523, 0.388254], "xyz": [11.47380156871437, 4.41528014222133, 5.574380375900341], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.200853, 0.692477, 0.388254], "xyz": [2.8837591412856316, 9.94228056777867, 5.574380375900341], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Sc", "occu": 1}], "abc": [0.200853, 0.307523, 0.611746], "xyz": [2.8837591412856307, 4.41528014222133, 8.78318033409966], "label": "Sc", "properties": {"lmm": -0.0063, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.200945, 0.328876], "xyz": [4.63956255342208e-16, 2.88508003687095, 4.72185713606196], "label": "Fe", "properties": {"lmm": 0.1836, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.328876, 0.0, 0.200945], "xyz": [4.72185713606196, 0.0, 2.88508003687095], "label": "Fe", "properties": {"lmm": 0.1836, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.200945, 0.328876, 0.0], "xyz": [2.885080036870951, 4.72185713606196, 4.657905630073652e-16], "label": "Fe", "properties": {"lmm": 0.1836, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.799055, 0.671124, 0.0], "xyz": [11.47248067312905, 9.63570357393804, 1.2925035136991646e-15], "label": "Fe", "properties": {"lmm": 0.1836, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.328876, 0.0, 0.799055], "xyz": [4.72185713606196, 0.0, 11.472480673129049], "label": "Fe", "properties": {"lmm": 0.1836, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.799055, 0.328876, 0.0], "xyz": [11.472480673129049, 4.72185713606196, 9.916171981168364e-16], "label": "Fe", "properties": {"lmm": 0.1836, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.671124, 0.0, 0.200945], "xyz": [9.63570357393804, 0.0, 2.8850800368709506], "label": "Fe", "properties": {"lmm": 0.1836, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.671124, 0.0, 0.799055], "xyz": [9.63570357393804, 0.0, 11.47248067312905], "label": "Fe", "properties": {"lmm": 0.1836, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.200945, 0.671124, 0.0], "xyz": [2.8850800368709515, 9.63570357393804, 7.666768785896934e-16], "label": "Fe", "properties": {"lmm": 0.1836, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.799055, 0.671124], "xyz": [1.8449156018436287e-15, 11.472480673129049, 9.635703573938041], "label": "Fe", "properties": {"lmm": 0.1836, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.200945, 0.671124], "xyz": [4.63956255342208e-16, 2.88508003687095, 9.635703573938041], "label": "Fe", "properties": {"lmm": 0.1836, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.799055, 0.328876], "xyz": [1.8449156018436287e-15, 11.472480673129049, 4.721857136061961], "label": "Fe", "properties": {"lmm": 0.1836, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.305727, 0.16799], "xyz": [7.178780355000001, 4.389493963186171, 2.4119266236729007], "label": "Fe", "properties": {"lmm": 0.0371, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.16799, 0.5, 0.305727], "xyz": [2.411926623672901, 7.178780355, 4.389493963186171], "label": "Fe", "properties": {"lmm": 0.0371, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.305727, 0.16799, 0.5], "xyz": [4.389493963186171, 2.4119266236729, 7.178780355], "label": "Fe", "properties": {"lmm": 0.0371, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.694273, 0.83201, 0.5], "xyz": [9.968066746813832, 11.9456340863271, 7.178780355000002], "label": "Fe", "properties": {"lmm": 0.0371, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.16799, 0.5, 0.694273], "xyz": [2.411926623672901, 7.178780355, 9.96806674681383], "label": "Fe", "properties": {"lmm": 0.0371, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.694273, 0.16799, 0.5], "xyz": [9.96806674681383, 2.4119266236729, 7.178780355000001], "label": "Fe", "properties": {"lmm": 0.0371, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.83201, 0.5, 0.305727], "xyz": [11.945634086327102, 7.178780355, 4.389493963186172], "label": "Fe", "properties": {"lmm": 0.0371, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.83201, 0.5, 0.694273], "xyz": [11.945634086327102, 7.178780355, 9.96806674681383], "label": "Fe", "properties": {"lmm": 0.0371, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.305727, 0.83201, 0.5], "xyz": [4.3894939631861725, 11.9456340863271, 7.178780355000001], "label": "Fe", "properties": {"lmm": 0.0371, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.694273, 0.83201], "xyz": [7.178780355000002, 9.96806674681383, 11.9456340863271], "label": "Fe", "properties": {"lmm": 0.0371, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.305727, 0.83201], "xyz": [7.178780355000001, 4.389493963186171, 11.9456340863271], "label": "Fe", "properties": {"lmm": 0.0371, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.694273, 0.16799], "xyz": [7.178780355000002, 9.96806674681383, 2.411926623672901], "label": "Fe", "properties": {"lmm": 0.0371, "soc": null, "ecc": null}}]}