{ "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" [ "O" "O" "O" "O" ] } "a" { "source-value" [ 4.01084 3.742098 3.575543 3.454531 3.359431 3.281079 3.214451 3.156489 3.105198 3.059198 3.0175 2.979367 2.944238 2.911673 2.881323 2.852907 2.826192 2.800986 2.777129 2.754482 2.732929 2.712369 2.692715 2.67389 2.654859 2.635247 2.615018 2.594133 2.572545 2.550208 2.527066 2.503061 2.478124 2.452181 2.425147 2.396926 2.367409 2.336472 2.30397 2.269737 2.233579 2.195265 2.154523 2.111023 2.064365 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.01084e-10 3.742098e-10 3.5755430000000005e-10 3.454531e-10 3.359431e-10 3.281079e-10 3.214451e-10 3.156489e-10 3.105198e-10 3.059198e-10 3.0175e-10 2.979367e-10 2.944238e-10 2.911673e-10 2.8813230000000003e-10 2.852907e-10 2.826192e-10 2.800986e-10 2.777129e-10 2.754482e-10 2.732929e-10 2.712369e-10 2.692715e-10 2.6738900000000004e-10 2.654859e-10 2.6352470000000004e-10 2.6150180000000003e-10 2.594133e-10 2.572545e-10 2.550208e-10 2.527066e-10 2.5030610000000004e-10 2.4781240000000004e-10 2.452181e-10 2.425147e-10 2.3969260000000003e-10 2.367409e-10 2.336472e-10 2.3039700000000003e-10 2.269737e-10 2.2335790000000002e-10 2.195265e-10 2.1545230000000003e-10 2.1110229999999998e-10 2.064365e-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" [ 0.0781859 -0.0153206 -0.123636 -0.2382 -0.356015 -0.467666 -0.563748 -0.651192 -0.732052 -0.814147 -0.908423 -1.02792 -1.18608 -1.39518 -1.66496 -2.00181 -2.40884 -2.88515 5.37263 6.67737 7.94867 9.13002 10.1672 10.955 10.8006 10.6652 10.5206 10.3661 10.201 10.0244 9.83527 9.63232 9.41345 9.1756 8.91431 8.62358 8.2959 7.92009 7.47976 6.96436 6.35491 5.62759 4.75271 3.69265 2.39875 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2526762208826059e-20 -2.45463073388604e-21 -1.9808671032122398e-20 -3.816384742188e-20 -5.7039891435351e-20 -7.49283537716244e-20 -9.03223873064232e-20 -1.0433246066477279e-19 -1.172876609272968e-19 -1.3044073000411978e-19 -1.4554541043881818e-19 -1.6469094056212798e-19 -1.90030966205472e-19 -2.23532479622412e-19 -2.66756000854464e-19 -3.2072532077075397e-19 -3.85938716304456e-19 -4.6225199155851e-19 8.607902249127419e-19 1.0698326190572579e-18 1.2735173345376779e-18 1.462790471195268e-18 1.6289650273204798e-18 1.755184502547e-18 1.7304468953180398e-18 1.70875342369368e-18 1.6855859495660398e-18 1.6608323205707398e-18 1.6343803843434e-18 1.60608594498696e-18 1.5757839783081178e-18 1.5432678035210878e-18 1.5082009635327298e-18 1.4700931922930398e-18 1.428229919023254e-18 1.381649837742972e-18 1.3291497138000599e-18 1.268938313717706e-18 1.198389669992784e-18 1.115813486276424e-18 1.018168831317294e-18 9.016393203732059e-19 7.61468091017814e-19 5.9162775475401e-19 3.8432212008075e-19 ] } }