{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 9.65522 9.008284 8.607339 8.316031 8.087098 7.898483 7.738089 7.598561 7.475088 7.364354 7.263975 7.172178 7.087612 7.009219 6.936159 6.867753 6.803443 6.742766 6.685334 6.630817 6.578933 6.52944 6.482127 6.43681 6.405959 6.37349 6.339224 6.302949 6.264415 6.223323 6.179308 6.131923 6.080608 6.024652 5.963132 5.894817 5.818017 5.730323 5.628124 5.505652 5.352823 5.14945 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.65522e-10 9.008284e-10 8.607339e-10 8.316031000000001e-10 8.087097999999999e-10 7.898483e-10 7.738089000000001e-10 7.598561e-10 7.475088000000001e-10 7.364354e-10 7.263975e-10 7.172178e-10 7.087612e-10 7.009219e-10 6.936159000000001e-10 6.867753e-10 6.803443e-10 6.742766e-10 6.685334e-10 6.630817000000001e-10 6.578933e-10 6.529440000000001e-10 6.482127e-10 6.436810000000001e-10 6.405959000000001e-10 6.373490000000001e-10 6.339224e-10 6.302949e-10 6.264415e-10 6.223323e-10 6.179308e-10 6.131922999999999e-10 6.080608e-10 6.024652e-10 5.963132e-10 5.894817e-10 5.818017e-10 5.730323e-10 5.628124e-10 5.505652e-10 5.352823e-10 5.14945e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.271141 0.395496 0.49172 0.57314 0.646214 0.709901 0.765939 0.81553 0.85955 0.898663 0.93339 0.964149 0.991284 1.01508 1.03644 1.0553 1.07147 1.08512 1.09638 1.10538 1.11222 1.117 1.11981 1.12073 1.12036 1.11987 1.11821 1.1151 1.11015 1.10287 1.0926 1.07845 1.05919 1.03308 0.997579 0.94889 0.881055 0.784282 0.646606 0.434884 0.0798972 -0.586766 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.344157711403329e-20 6.336544448199168e-20 7.87822287979776e-20 9.182715084453121e-20 1.0353489628336512e-19 1.137386785282541e-19 1.2271695587589314e-19 1.3066230995610241e-19 1.3771509144086401e-19 1.4398168485779904e-19 1.495455636088512e-19 1.5447369867676994e-19 1.5882120493731074e-19 1.626337444241664e-19 1.6605599368619522e-19 1.6907769879302398e-19 1.716684183888576e-19 1.7385538947624963e-19 1.756594403512704e-19 1.7710139930999043e-19 1.781972881186176e-19 1.7896312854336002e-19 1.7941334017380481e-19 1.795607404229184e-19 1.7950145988794881e-19 1.794229532335296e-19 1.791569919144768e-19 1.78658714985408e-19 1.7786563755811201e-19 1.7669925297816961e-19 1.75053817588608e-19 1.7278673767017598e-19 1.6970094549851523e-19 1.655176623416064e-19 1.5982977512010432e-19 1.5202893737109122e-19 1.4116057226389442e-19 1.2565582845142657e-19 1.0359770160690049e-19 6.967609775599873e-20 1.2800942590738177e-20 -9.401027670803329e-20 ] } }