{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Ti" ] } "a" { "source-value" [ 3.9291 3.665836 3.502675 3.38413 3.290968 3.214213 3.148943 3.092163 3.041917 2.996855 2.956007 2.918651 2.884237 2.852336 2.822605 2.794768 2.768598 2.743906 2.720534 2.698349 2.677236 2.657095 2.637841 2.6194 2.600757 2.581545 2.561728 2.541268 2.52012 2.498238 2.475568 2.452051 2.427623 2.402208 2.375725 2.348079 2.319163 2.288856 2.257017 2.223482 2.18806 2.150527 2.110615 2.068001 2.022294 1.973008 1.919536 1.861099 1.79668 1.724914 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.9291000000000004e-10 3.665836e-10 3.502675e-10 3.38413e-10 3.290968e-10 3.214213e-10 3.148943e-10 3.0921630000000005e-10 3.0419170000000004e-10 2.9968550000000004e-10 2.956007e-10 2.9186510000000004e-10 2.884237e-10 2.852336e-10 2.8226049999999997e-10 2.794768e-10 2.768598e-10 2.743906e-10 2.720534e-10 2.698349e-10 2.6772360000000004e-10 2.657095e-10 2.637841e-10 2.6194000000000003e-10 2.600757e-10 2.581545e-10 2.561728e-10 2.541268e-10 2.52012e-10 2.4982380000000004e-10 2.475568e-10 2.452051e-10 2.427623e-10 2.402208e-10 2.375725e-10 2.348079e-10 2.3191630000000002e-10 2.2888560000000002e-10 2.2570169999999998e-10 2.2234820000000003e-10 2.18806e-10 2.150527e-10 2.1106150000000003e-10 2.0680010000000003e-10 2.022294e-10 1.9730080000000003e-10 1.919536e-10 1.861099e-10 1.7966800000000002e-10 1.7249140000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.68719 2.27779 2.55074 2.80599 3.05478 3.28188 3.48149 3.65375 3.80351 3.93508 4.04983 4.14674 4.22761 4.29512 4.35187 4.39967 4.43934 4.47118 4.4961 4.51504 4.52895 4.53852 4.54423 4.54613 4.54391 4.53622 4.52123 4.49672 4.46024 4.40942 4.34192 4.25528 4.14665 4.01225 3.84662 3.64188 3.38905 3.07864 2.70083 2.24394 1.69738 1.05087 0.284706 -0.64472 -1.79908 -3.23549 -5.05562 -7.44005 -10.6645 -15.1977 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.7031763951184596e-19 3.64942191515886e-19 4.0867360274091595e-19 4.495691613237659e-19 4.89429713801052e-19 5.25815145159192e-19 5.57796192950466e-19 5.8539528764775e-19 6.093894849185339e-19 6.304693228920719e-19 6.48854299767222e-19 6.64380993527316e-19 6.77337795966474e-19 6.88154090422608e-19 6.97246442820558e-19 7.049048471310781e-19 7.112606818381559e-19 7.16362012240812e-19 7.2035463641274e-19 7.23389158957536e-19 7.256177866554299e-19 7.27151069694168e-19 7.280659125521819e-19 7.283703261126419e-19 7.28014642899894e-19 7.26782569068348e-19 7.24380906293982e-19 7.204539713640479e-19 7.146092310032159e-19 7.064669693492279e-19 6.95652277069728e-19 6.817710187127519e-19 6.6436657393761e-19 6.428333199766499e-19 6.16296468387708e-19 5.8349350398319195e-19 5.4298567214577e-19 4.93252507249776e-19 4.3272067184062197e-19 3.5951882360979593e-19 2.71950257501892e-19 1.6836793593715798e-19 4.56149300759604e-20 -1.0329553194724798e-19 -2.8824439386967196e-19 -5.18382647754066e-19 -8.09999623438308e-19 -1.19202742657917e-18 -1.7086412713293e-18 -2.4349399830541798e-18 ] } }