{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" [ 5.87962 5.485664 5.241506 5.064113 4.924703 4.809845 4.712172 4.627205 4.552015 4.484583 4.423457 4.367557 4.31606 4.268322 4.223832 4.182175 4.143013 4.106064 4.07109 4.037892 4.006297 3.976158 3.947346 3.91975 3.900963 3.881191 3.860324 3.838234 3.814768 3.789745 3.762942 3.734086 3.702838 3.668763 3.631299 3.589698 3.54293 3.489528 3.427293 3.352712 3.259646 3.1358 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.87962e-10 5.485664e-10 5.241506000000001e-10 5.064113e-10 4.924703e-10 4.809845e-10 4.712172e-10 4.6272050000000004e-10 4.552015e-10 4.484583e-10 4.423457e-10 4.3675569999999997e-10 4.3160600000000004e-10 4.2683220000000004e-10 4.223832e-10 4.182175e-10 4.143013e-10 4.1060640000000003e-10 4.07109e-10 4.0378920000000006e-10 4.006297e-10 3.976158e-10 3.947346e-10 3.9197500000000003e-10 3.900963e-10 3.881191e-10 3.860324e-10 3.838234e-10 3.814768e-10 3.789745e-10 3.762942e-10 3.734086e-10 3.702838e-10 3.6687630000000004e-10 3.631299e-10 3.589698e-10 3.5429300000000005e-10 3.4895280000000003e-10 3.4272930000000005e-10 3.352712e-10 3.259646e-10 3.1358e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.200099 0.300201 0.38496 0.460021 0.527895 0.58994 0.646983 0.699566 0.748062 0.792743 0.83381 0.871416 0.905684 0.93671 0.964572 0.989336 1.01105 1.02977 1.04554 1.05837 1.06832 1.07539 1.07962 1.08102 1.08033 1.07801 1.07363 1.06665 1.05633 1.04172 1.02148 0.993819 0.956177 0.904867 0.834414 0.736392 0.597264 0.394113 0.0853891 -0.411408 -1.28236 -3.03739 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.205939396454592e-20 4.809750237407808e-20 6.167739119431681e-20 7.370348912770369e-20 8.45781027237216e-20 9.451880756747521e-20 1.0365810366550464e-19 1.1208282899065728e-19 1.1985274473088896e-19 1.2701143009028545e-19 1.3359108881892482e-19 1.396162342191053e-19 1.4510657306326273e-19 1.500774862469568e-19 1.5454147074782978e-19 1.585091009315789e-19 1.61988067245984e-19 1.6498734188012163e-19 1.675139744111232e-19 1.6956956701560962e-19 1.711637327533056e-19 1.7229647162421122e-19 1.729741923348096e-19 1.7319849706172162e-19 1.7308794687488642e-19 1.727162418988608e-19 1.7201448853895042e-19 1.7089616925763203e-19 1.692427229849664e-19 1.669019429419776e-19 1.636591374614784e-19 1.5922735671068353e-19 1.5319644347466818e-19 1.4497567523334336e-19 1.3368786028682112e-19 1.1798300461441537e-19 9.569224172454913e-20 6.314386345533504e-20 1.3680841969115327e-20 -6.591482792100865e-20 -2.0545672114490881e-19 -4.866435246251712e-19 ] } }