{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Mn" "Mn" ] } "a" { "source-value" [ 4.18197 3.901763 3.728101 3.601927 3.502769 3.421075 3.351603 3.291169 3.237689 3.189727 3.14625 3.10649 3.069862 3.035907 3.004263 2.974634 2.94678 2.920499 2.895623 2.87201 2.849538 2.828101 2.807608 2.78798 2.774618 2.760554 2.745712 2.73 2.71331 2.695511 2.676447 2.655923 2.633697 2.60946 2.582814 2.553224 2.519959 2.481976 2.43771 2.384663 2.318468 2.23038 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.18197e-10 3.901763e-10 3.728101e-10 3.601927e-10 3.502769e-10 3.421075e-10 3.351603e-10 3.291169e-10 3.237689e-10 3.189727e-10 3.1462500000000004e-10 3.10649e-10 3.069862e-10 3.035907e-10 3.004263e-10 2.974634e-10 2.94678e-10 2.920499e-10 2.8956230000000004e-10 2.87201e-10 2.849538e-10 2.828101e-10 2.807608e-10 2.7879800000000004e-10 2.774618e-10 2.760554e-10 2.7457120000000004e-10 2.73e-10 2.71331e-10 2.6955110000000006e-10 2.676447e-10 2.655923e-10 2.6336970000000005e-10 2.60946e-10 2.582814e-10 2.5532240000000004e-10 2.519959e-10 2.481976e-10 2.4377100000000004e-10 2.384663e-10 2.3184680000000002e-10 2.23038e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.816393 0.800812 0.716068 0.600191 0.829043 1.95676 3.05429 4.05856 4.9469 5.71531 6.3696 6.92021 7.37919 7.75863 8.06974 8.3226 8.52593 8.6872 8.81268 8.90759 8.97622 9.02207 9.04798 9.0562 9.05233 9.03979 9.01685 8.98129 8.93017 8.85953 8.76394 8.63575 8.46394 8.23223 7.91587 7.47597 6.84917 5.9275 4.51625 2.23707 -1.72732 -9.45262 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3080057779847744e-19 1.2830422640560897e-19 1.1472674085030145e-19 9.61611988214573e-20 1.3282733122378945e-19 3.135075124516608e-19 4.893512031143233e-19 6.502529946114048e-19 7.925807525435521e-19 9.156936062624447e-19 1.020522420384768e-18 1.1087398673026369e-18 1.1822765698441154e-18 1.2430695595437506e-18 1.2929148763934592e-18 1.333427514427008e-18 1.3660045716577346e-18 1.3918428740213761e-18 1.4119469862591745e-18 1.4271532445671875e-18 1.4381489827157377e-18 1.4454949625221055e-18 1.4496462021465987e-18 1.4509631913288962e-18 1.4503431489766465e-18 1.4483340194941633e-18 1.4446586263260481e-18 1.4389612862624831e-18 1.4307709593769537e-18 1.4194531837276223e-18 1.4041379774093953e-18 1.38359967530736e-18 1.3560726787853952e-18 1.3189486443048384e-18 1.2682621847292097e-18 1.1977824351802177e-18 1.0973580045884737e-18 9.496901919792e-19 7.235830163688001e-19 3.584181253093056e-19 -2.767471720640256e-19 -1.5144766769306496e-18 ] } }