{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 7.74228 7.223519 6.902011 6.668419 6.484843 6.333598 6.204982 6.093098 5.994088 5.905294 5.824802 5.751193 5.683381 5.62052 5.561935 5.507082 5.455514 5.406859 5.360805 5.317089 5.275485 5.235798 5.197859 5.16152 5.136782 5.110746 5.083268 5.05418 5.023281 4.99033 4.955036 4.917039 4.875891 4.831022 4.78169 4.72691 4.665326 4.595006 4.513056 4.414849 4.2923 4.12922 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.74228e-10 7.223519e-10 6.902011e-10 6.668419e-10 6.484842999999999e-10 6.333598e-10 6.204982e-10 6.093098000000001e-10 5.994088e-10 5.905293999999999e-10 5.824802e-10 5.751193e-10 5.683381e-10 5.620520000000001e-10 5.561935e-10 5.507082e-10 5.455514e-10 5.406859e-10 5.360805e-10 5.317089000000001e-10 5.275485e-10 5.235798e-10 5.197859000000001e-10 5.16152e-10 5.136782000000001e-10 5.110746e-10 5.083268000000001e-10 5.05418e-10 5.023281e-10 4.99033e-10 4.955036e-10 4.917039e-10 4.875891e-10 4.831022e-10 4.78169e-10 4.726910000000001e-10 4.665326e-10 4.595006e-10 4.513056e-10 4.414849e-10 4.2923000000000003e-10 4.12922e-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" [ 1.19503 1.47942 1.68753 1.85252 1.98853 2.10323 2.20136 2.28609 2.35969 2.42383 2.47982 2.52867 2.5712 2.60808 2.63988 2.66707 2.69005 2.70917 2.72474 2.73701 2.74623 2.75259 2.75629 2.75749 2.75692 2.75503 2.75154 2.74609 2.73823 2.72737 2.71272 2.69327 2.66761 2.63383 2.58876 2.52833 2.44697 2.33438 2.17152 1.92021 1.49141 0.623465 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9146491429290199e-19 2.37029215587228e-19 2.7037211351740196e-19 2.9680642580176797e-19 3.1859763020080196e-19 3.36974596192782e-19 3.5269675550222403e-19 3.66271998122106e-19 3.78064018148346e-19 3.88340379078822e-19 3.97310966052588e-19 4.05137598909678e-19 4.1195165613407997e-19 4.17860483560272e-19 4.2295540525639193e-19 4.2731172352423795e-19 4.3099352542916995e-19 4.3405688715337795e-19 4.36551476172516e-19 4.38517346902434e-19 4.39994553758982e-19 4.41013538098206e-19 4.416063434527859e-19 4.417986046488661e-19 4.41707280580728e-19 4.41404469196902e-19 4.40845309551636e-19 4.39972123286106e-19 4.38712812451782e-19 4.36972848627258e-19 4.34625659858448e-19 4.31509426305318e-19 4.2739824106247396e-19 4.21986088392822e-19 4.14765078303384e-19 4.05083124904122e-19 3.9204781580989793e-19 3.74008909087692e-19 3.47915860426368e-19 3.07651559437314e-19 2.3895022537139397e-19 9.9890105511681e-20 ] } }