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mag_orderings_test_cases.json
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mag_orderings_test_cases.json
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{"energy_above_ground_state_per_atom":{"0":0.0,"1":0.01717978,"2":0.0016305312,"3":0.0257116137,"4":0.0191255525,"5":0.0195962188,"6":0.0195962312,"7":0.0257116137,"8":0.0192563237,"9":0.0193060587,"10":0.0191926425,"11":0.0,"12":0.00157395,"13":0.002372375,"14":0.001885585,"15":0.0,"16":0.0253011138,"17":0.0016229164,"18":0.0012990593,"19":0.0001854396,"20":0.0,"21":0.0003901939,"22":0.0004389667,"23":0.0003684203,"24":0.0000455367,"25":0.0003374961,"26":0.0,"27":0.0003308503,"28":0.0005527906,"29":0.0005658097,"30":0.0,"31":0.0006106022,"32":0.000591075,"33":0.0006840067,"34":0.0000100811},"energy_per_atom":{"0":-5.4844017667,"1":-5.4672219867,"2":-6.3544543037,"3":-6.3303732213,"4":-6.3369592825,"5":-6.3364886162,"6":-6.3364886038,"7":-6.3303732213,"8":-6.3368285113,"9":-6.3367787763,"10":-6.3368921925,"11":-6.356084835,"12":-6.354510885,"13":-6.35371246,"14":-6.35419925,"15":-7.7611149488,"16":-7.735813835,"17":-7.183549335,"18":-7.1838731921,"19":-7.1849868118,"20":-7.1851722514,"21":-8.9968614128,"22":-8.99681264,"23":-8.9968831864,"24":-8.99720607,"25":-8.9969141106,"26":-8.9972516067,"27":-8.9969207564,"28":-5.9134972056,"29":-5.9134841864,"30":-5.9140499961,"31":-5.9134393939,"32":-5.9134589211,"33":-5.9133659894,"34":-5.914039915},"formula":{"0":"Co4 S8","1":"Co4 S8","2":"Mn1 Ni2 Sn1","3":"Mn1 Ni2 Sn1","4":"Mn1 Ni2 Sn1","5":"Mn1 Ni2 Sn1","6":"Mn1 Ni2 Sn1","7":"Mn1 Ni2 Sn1","8":"Mn1 Ni2 Sn1","9":"Mn1 Ni2 Sn1","10":"Mn1 Ni2 Sn1","11":"Mn1 Ni2 Sn1","12":"Mn1 Ni2 Sn1","13":"Mn1 Ni2 Sn1","14":"Mn1 Ni2 Sn1","15":"Mn4 Si4","16":"Mn4 Si4","17":"Li4 Mn4 P4 O16","18":"Li4 Mn4 P4 O16","19":"Li4 Mn4 P4 O16","20":"Li4 Mn4 P4 O16","21":"Ta4 Co2 O12","22":"Ta4 Co2 O12","23":"Ta4 Co2 O12","24":"Ta4 Co2 O12","25":"Ta4 Co2 O12","26":"Ta4 Co2 O12","27":"Ta4 Co2 O12","28":"Ni2 Sb4 O12","29":"Ni2 Sb4 O12","30":"Ni2 Sb4 O12","31":"Ni2 Sb4 O12","32":"Ni2 Sb4 O12","33":"Ni2 Sb4 O12","34":"Ni2 Sb4 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