{ "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" [ "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 5.61106 5.235099 5.002093 4.832802 4.69976 4.590148 4.496937 4.415851 4.344096 4.279744 4.221409 4.168063 4.118918 4.07336 4.030902 3.991149 3.953776 3.918514 3.885138 3.853455 3.823304 3.794541 3.767046 3.74071 3.714086 3.686649 3.65835 3.62913 3.59893 3.567681 3.535306 3.501722 3.466836 3.430542 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.61106e-10 5.235099000000001e-10 5.002093000000001e-10 4.832802e-10 4.69976e-10 4.5901480000000003e-10 4.496937e-10 4.415851e-10 4.344096000000001e-10 4.2797440000000003e-10 4.221409000000001e-10 4.1680630000000004e-10 4.118918e-10 4.0733600000000003e-10 4.030902e-10 3.9911490000000004e-10 3.953776e-10 3.9185140000000003e-10 3.885138e-10 3.853455e-10 3.823304e-10 3.7945410000000003e-10 3.767046e-10 3.74071e-10 3.7140860000000003e-10 3.686649e-10 3.65835e-10 3.62913e-10 3.59893e-10 3.567681e-10 3.535306e-10 3.501722e-10 3.466836e-10 3.430542e-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" [ 4.24471 6.34245 8.19875 9.89752 11.4758 12.9523 14.3441 15.6538 16.8842 18.0406 19.1219 20.1282 21.0603 21.9189 22.7014 23.4069 24.0345 24.5844 25.0535 25.4403 25.743 25.9613 26.0958 26.1411 26.09 25.9192 25.5972 25.0839 24.3283 23.2649 21.8093 19.8546 17.252 13.8088 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.800775180106141e-19 1.01617251923133e-18 1.3135845678007499e-18 1.585757527854768e-18 1.83862586164572e-18 2.07518724165582e-18 2.2981781855759397e-18 2.50801525933092e-18 2.7051470723782798e-18 2.89042277833404e-18 3.0636661377684598e-18 3.2248931724478797e-18 3.37423205650302e-18 3.51179494229826e-18 3.63716526390876e-18 3.75019882543746e-18 3.8507514309873e-18 3.938855124090959e-18 4.0140132299918994e-18 4.07598542219502e-18 4.1244833089062e-18 4.15945882482642e-18 4.18100810055372e-18 4.18826596070574e-18 4.180078838106e-18 4.15271366119728e-18 4.10112357358248e-18 4.01888384695926e-18 3.89782338049422e-18 3.72744791723466e-18 3.49423508638962e-18 3.18105761974164e-18 2.7640751289767998e-18 2.2124136703579197e-18 ] } }