{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[13.93797935, 0.0, 8.534550898779704e-16], [-6.968989674999997, 12.07064419452292, 8.534550898779704e-16], [0.0, 0.0, 4.4765814]], "pbc": [true, true, true], "a": 13.93797935, "b": 13.93797935, "c": 4.4765814, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999999999999, "volume": 753.1417984739429}, "sites": [{"species": [{"element": "Cr", "occu": 1}], "abc": [0.333333, 0.666667, 0.781983], "xyz": [-6.96898967307153e-06, 8.047100153230012, 3.5006105529162004], "label": "Cr", "properties": {"lmm": -0.0018, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.666667, 0.333333, 0.281983], "xyz": [6.968996643989676, 4.023544041292908, 1.2623198529162007], "label": "Cr", "properties": {"lmm": -0.0018, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.061292, 0.938708, 0.056079], "xyz": [-5.687559729519697, 11.330810270552222, 0.2510422083306008], "label": "Cr", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.877417, 0.938708, 0.056079], "xyz": [5.687573667499053, 11.330810270552222, 0.25104220833060154], "label": "Cr", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.061292, 0.122583, 0.056079], "xyz": [6.968989675423425e-06, 1.479655777297203, 0.25104220833060015], "label": "Cr", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.938708, 0.061292, 0.556079], "xyz": [12.656549404519701, 0.7398339239706988, 2.4893329083306006], "label": "Cr", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.122583, 0.061292, 0.556079], "xyz": [1.2814160075009502, 0.7398339239706988, 2.4893329083306], "label": "Cr", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.938708, 0.877417, 0.556079], "xyz": [6.968982706010329, 10.590988417225716, 2.4893329083306015], "label": "Cr", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.166797, 0.333594, 0.258221], "xyz": [9.924320769976625e-16, 4.026694479427679, 1.1559473256894002], "label": "Cr", "properties": {"lmm": 0.0008, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.166797, 0.833203, 0.258221], "xyz": [-3.4817699625370726, 10.05729695480908, 1.1559473256894006], "label": "Cr", "properties": {"lmm": 0.0008, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.666406, 0.833203, 0.258221], "xyz": [3.4817699625370793, 10.05729695480908, 1.155947325689401], "label": "Cr", "properties": {"lmm": 0.0008, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.833203, 0.666406, 0.758221], "xyz": [6.968989675000002, 8.043949715095241, 3.3942380256894014], "label": "Cr", "properties": {"lmm": 0.0008, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.833203, 0.166797, 0.758221], "xyz": [10.450759637537075, 2.0133472397138394, 3.394238025689401], "label": "Cr", "properties": {"lmm": 0.0008, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.333594, 0.166797, 0.758221], "xyz": [3.4872197124629256, 2.0133472397138394, 3.3942380256894005], "label": "Cr", "properties": {"lmm": 0.0008, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.227568, 0.455136, 0.749022], "xyz": [1.8319968136985664e-15, 5.493784716118384, 3.3530579533908003], "label": "Cr", "properties": {"lmm": 0.005, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.227568, 0.772432, 0.749022], "xyz": [-2.2112325479187973, 9.323751836463728, 3.3530579533908003], "label": "Cr", "properties": {"lmm": 0.005, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.544864, 0.772432, 0.749022], "xyz": [2.2112325479188026, 9.323751836463728, 3.3530579533908007], "label": "Cr", "properties": {"lmm": 0.005, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.772432, 0.544864, 0.249022], "xyz": [6.968989675000002, 6.576859478404536, 1.114767253390801], "label": "Cr", "properties": {"lmm": 0.005, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.772432, 0.227568, 0.249022], "xyz": [9.180222222918802, 2.746892358059192, 1.1147672533908008], "label": "Cr", "properties": {"lmm": 0.005, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.455136, 0.227568, 0.249022], "xyz": [4.757757127081201, 2.746892358059192, 1.1147672533908004], "label": "Cr", "properties": {"lmm": 0.005, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.272943, 0.545886, 0.25275], "xyz": [2.0914843287515695e-15, 6.589195676771339, 1.1314559488500004], "label": "Cr", "properties": {"lmm": -0.0018, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.272943, 0.727057, 0.25275], "xyz": [-1.2625788284094221, 8.77604635613725, 1.1314559488500007], "label": "Cr", "properties": {"lmm": -0.0018, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.454114, 0.727057, 0.25275], "xyz": [1.262578828409428, 8.77604635613725, 1.131455948850001], "label": "Cr", "properties": {"lmm": -0.0018, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.727057, 0.454114, 0.75275], "xyz": [6.968989675000002, 5.4814485177515815, 3.369746648850001], "label": "Cr", "properties": {"lmm": -0.0018, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.727057, 0.272943, 0.75275], "xyz": [8.231568503409427, 3.2945978383856693, 3.369746648850001], "label": "Cr", "properties": {"lmm": -0.0018, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.545886, 0.272943, 0.75275], "xyz": [5.706410846590576, 3.2945978383856693, 3.3697466488500005], "label": "Cr", "properties": {"lmm": -0.0018, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.561745, 0.12349, 0.447973], "xyz": [6.968989675000001, 1.4906038515816353, 2.0053875995022006], "label": "Cr", "properties": {"lmm": -0.0005, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.561745, 0.438255, 0.447973], "xyz": [4.775395639948627, 5.290020171470642, 2.0053875995022006], "label": "Cr", "properties": {"lmm": -0.0005, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.87651, 0.438255, 0.447973], "xyz": [9.162583710051377, 5.290020171470642, 2.005387599502201], "label": "Cr", "properties": {"lmm": -0.0005, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.438255, 0.87651, 0.947973], "xyz": [3.3586695129512733e-15, 10.580040342941285, 4.243678299502201], "label": "Cr", "properties": {"lmm": -0.0005, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.438255, 0.561745, 0.947973], "xyz": [2.193594035051377, 6.780624023052279, 4.2436782995022], "label": "Cr", "properties": {"lmm": -0.0005, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.12349, 0.561745, 0.947973], "xyz": [-2.1935940350513734, 6.780624023052279, 4.2436782995022], "label": "Cr", "properties": {"lmm": -0.0005, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.27159, 0.044519, 0.25683], "xyz": [3.4751633603251753, 0.537373008895966, 1.1497204009620001], "label": "Cr", "properties": {"lmm": -0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.772929, 0.72841, 0.25683], "xyz": [5.696786671849402, 8.792377937732441, 1.1497204009620012], "label": "Cr", "properties": {"lmm": -0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.955481, 0.227071, 0.25683], "xyz": [11.735018992825427, 2.740893247894514, 1.149720400962001], "label": "Cr", "properties": {"lmm": -0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.772929, 0.044519, 0.25683], "xyz": [10.462815989674825, 0.537373008895966, 1.1497204009620006], "label": "Cr", "properties": {"lmm": -0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.955481, 0.72841, 0.25683], "xyz": [8.241192678150604, 8.792377937732441, 1.1497204009620015], "label": "Cr", "properties": {"lmm": -0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.27159, 0.227071, 0.25683], "xyz": [2.202960357174576, 2.740893247894514, 1.1497204009620003], "label": "Cr", "properties": {"lmm": -0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.72841, 0.955481, 0.75683], "xyz": [3.4938263146748287, 11.533271185626955, 3.388011100962001], "label": "Cr", "properties": {"lmm": -0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.227071, 0.27159, 0.75683], "xyz": [1.272203003150601, 3.27826625679048, 3.388011100962], "label": "Cr", "properties": {"lmm": -0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.044519, 0.772929, 0.75683], "xyz": [-4.7660293178254225, 9.329750946628407, 3.3880111009620006], "label": "Cr", "properties": {"lmm": -0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.227071, 0.955481, 0.75683], "xyz": [-3.493826314674822, 11.533271185626955, 3.3880111009620006], "label": "Cr", "properties": {"lmm": -0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.044519, 0.27159, 0.75683], "xyz": [-1.272203003150599, 3.27826625679048, 3.388011100962], "label": "Cr", "properties": {"lmm": -0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.72841, 0.772929, 0.75683], "xyz": [4.766029317825429, 9.329750946628407, 3.388011100962001], "label": "Cr", "properties": {"lmm": -0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.437419, 0.062154, 0.947449], "xyz": [5.663586405037701, 0.7502388192663776, 4.2413325708486], "label": "Cr", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.624736, 0.562581, 0.947449], "xyz": [4.786936286850427, 6.790715081598899, 4.2413325708486], "label": "Cr", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.937846, 0.375264, 0.947449], "xyz": [10.456467240080903, 4.529678223013449, 4.241332570848601], "label": "Cr", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.624736, 0.062154, 0.947449], "xyz": [8.27440688294165, 0.7502388192663776, 4.2413325708486], "label": "Cr", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.937846, 0.562581, 0.947449], "xyz": [9.151057001128928, 6.790715081598899, 4.241332570848601], "label": "Cr", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.437419, 0.375264, 0.947449], "xyz": [3.481526047898452, 4.529678223013449, 4.2413325708486], "label": "Cr", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.562581, 0.937846, 0.447449], "xyz": [1.3054032699623033, 11.320405375256541, 2.0030418708486013], "label": "Cr", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.375264, 0.437419, 0.447449], "xyz": [2.1820533881495767, 5.279929112924021, 2.0030418708486004], "label": "Cr", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.062154, 0.624736, 0.447449], "xyz": [-3.487477565080898, 7.54096597150947, 2.0030418708486004], "label": "Cr", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.375264, 0.937846, 0.447449], "xyz": [-1.3054172079416464, 11.320405375256541, 2.003041870848601], "label": "Cr", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.062154, 0.437419, 0.447449], "xyz": [-2.182067326128924, 5.279929112924021, 2.0030418708486004], "label": "Cr", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Cr", "occu": 1}], "abc": [0.562581, 0.624736, 0.447449], "xyz": [3.4874636271015524, 7.54096597150947, 2.003041870848601], "label": "Cr", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.094199, 0.188397, 0.465567], "xyz": [6.968989675663969e-06, 2.2740731543155346, 2.0841485726538003], "label": "C", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.094199, 0.905801, 0.465567], "xyz": [-4.999574099814022, 10.933601582043055, 2.0841485726538007], "label": "C", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.811603, 0.905801, 0.465567], "xyz": [4.999588037793378, 10.933601582043055, 2.084148572653801], "label": "C", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.905801, 0.811603, 0.965567], "xyz": [6.968982706010328, 9.796571040207384, 4.322439272653801], "label": "C", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.905801, 0.094199, 0.965567], "xyz": [11.968563774814026, 1.1370426124798647, 4.3224392726538], "label": "C", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.188397, 0.094199, 0.965567], "xyz": [1.9694016372066256, 1.1370426124798647, 4.3224392726538], "label": "C", "properties": {"lmm": 0.0, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.405423, 0.810847, 0.536656], "xyz": [-6.968989672067478e-06, 9.787445633196326, 2.402384267798401], "label": "C", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.405423, 0.594577, 0.536656], "xyz": [1.507176428022577, 7.176927413246855, 2.402384267798401], "label": "C", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.189153, 0.594577, 0.536656], "xyz": [-1.5071903660019232, 7.176927413246855, 2.4023842677984004], "label": "C", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.594577, 0.189153, 0.036656], "xyz": [6.968996643989676, 2.2831985613265937, 0.16409356779840067], "label": "C", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.594577, 0.405423, 0.036656], "xyz": [5.461813246977427, 4.893716781276066, 0.16409356779840084], "label": "C", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.810847, 0.405423, 0.036656], "xyz": [8.476180041001927, 4.893716781276066, 0.16409356779840104], "label": "C", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.406682, 0.09417, 0.532125], "xyz": [5.012055560321951, 1.1366925637982235, 2.382100877475], "label": "C", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.687489, 0.593318, 0.532125], "xyz": [5.447380469360503, 7.16173047220595, 2.3821008774750005], "label": "C", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.90583, 0.312511, 0.532125], "xyz": [10.447553902286577, 3.7722090878745522, 2.3821008774750005], "label": "C", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.687489, 0.09417, 0.532125], "xyz": [8.925937727657402, 1.1366925637982235, 2.3821008774750005], "label": "C", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.90583, 0.593318, 0.532125], "xyz": [8.490612818618853, 7.16173047220595, 2.382100877475001], "label": "C", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.406682, 0.312511, 0.532125], "xyz": [3.4904393856927767, 3.7722090878745522, 2.382100877475], "label": "C", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.593318, 0.90583, 0.032125], "xyz": [1.9569341146780532, 10.933951630724698, 0.14381017747500127], "label": "C", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.312511, 0.406682, 0.032125], "xyz": [1.5216092056395014, 4.90891372231697, 0.1438101774750006], "label": "C", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.09417, 0.687489, 0.032125], "xyz": [-3.478564227286573, 8.298435106648368, 0.14381017747500066], "label": "C", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.312511, 0.90583, 0.032125], "xyz": [-1.9569480526573972, 10.933951630724698, 0.14381017747500102], "label": "C", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.09417, 0.406682, 0.032125], "xyz": [-1.5216231436188485, 4.90891372231697, 0.1438101774750004], "label": "C", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.593318, 0.687489, 0.032125], "xyz": [3.4785502893072273, 8.298435106648368, 0.14381017747500108], "label": "C", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}]}