{ "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" [ "V" "V" "V" "V" "V" "V" "V" "V" ] } "a" { "source-value" [ 7.65927 7.146071 6.82801 6.596922 6.415315 6.265691 6.138455 6.02777 5.929822 5.841979 5.762351 5.689531 5.622446 5.560259 5.502302 5.448037 5.397022 5.348888 5.303328 5.260081 5.218923 5.179661 5.142129 5.10618 5.069837 5.032386 4.993756 4.953871 4.912647 4.86999 4.825798 4.779956 4.732335 4.682793 4.631167 4.577275 4.520908 4.461828 4.399761 4.334389 4.265339 4.192173 4.11437 4.0313 3.942199 3.846123 3.741885 3.62797 3.502395 3.362496 3.204583 3.023319 2.81058 2.55309 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.65927e-10 7.146071e-10 6.82801e-10 6.596922e-10 6.415315e-10 6.265691000000001e-10 6.138455e-10 6.02777e-10 5.929822e-10 5.841979000000001e-10 5.762351e-10 5.689530999999999e-10 5.622446e-10 5.560259e-10 5.502302e-10 5.448037000000001e-10 5.397022e-10 5.348888e-10 5.303327999999999e-10 5.260080999999999e-10 5.218923000000001e-10 5.179661e-10 5.142129e-10 5.10618e-10 5.069837e-10 5.032386e-10 4.993756e-10 4.953871000000001e-10 4.912647e-10 4.86999e-10 4.825798e-10 4.779956e-10 4.732335e-10 4.682793e-10 4.631167e-10 4.5772750000000006e-10 4.5209080000000003e-10 4.4618279999999997e-10 4.399761e-10 4.334389e-10 4.2653390000000003e-10 4.1921730000000004e-10 4.11437e-10 4.0313e-10 3.9421990000000003e-10 3.846123e-10 3.741885e-10 3.62797e-10 3.502395e-10 3.3624960000000003e-10 3.204583e-10 3.023319e-10 2.81058e-10 2.55309e-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" [ 0.9157 1.60716 2.12572 2.50177 2.78705 3.01204 3.19448 3.34532 3.47791 3.58443 3.67501 3.75226 3.81819 3.87436 3.922 3.96215 3.99563 4.02315 4.0453 4.06258 4.07543 4.08422 4.08929 4.09092 4.0892 4.0837 4.07386 4.05902 4.03841 4.01113 3.97611 3.93209 3.87754 3.81066 3.72925 3.63065 3.5116 3.36806 3.19504 2.98621 2.73356 2.4268 2.05248 1.59282 1.02388 0.3128 -0.586564 -1.74073 -3.24867 -5.26323 -8.03157 -11.9772 -17.8824 -27.3452 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4671131437537999e-19 2.57495419909944e-19 3.4057789144264795e-19 4.0082774376421796e-19 4.465346387789699e-19 4.8258201086733595e-19 5.11812121378032e-19 5.35979353725288e-19 5.5722261371549395e-19 5.742889992208619e-19 5.888015151716339e-19 6.011783296692839e-19 6.117414802172459e-19 6.207409063704239e-19 6.283736758548e-19 6.348064150403099e-19 6.401705024109419e-19 6.4457969250771e-19 6.481285137520199e-19 6.508970749755719e-19 6.529558719502619e-19 6.543641852115479e-19 6.55176488764986e-19 6.554376435563279e-19 6.551620691752799e-19 6.5428087202658e-19 6.527043302187239e-19 6.50326700093868e-19 6.470246140511939e-19 6.426538761936419e-19 6.370430536213739e-19 6.29990272078506e-19 6.21250398540036e-19 6.10535041211844e-19 5.9749172123445e-19 5.8169425962321e-19 5.626203467954399e-19 5.39622703391004e-19 5.11901843269536e-19 4.784435886217139e-19 4.37964595963704e-19 3.8881622553912e-19 3.28843549775232e-19 2.5519789861678795e-19 1.6404366120199197e-19 5.011608511152e-20 -9.39779135145576e-20 -2.78895693210282e-19 -5.20494316557678e-19 -8.43262412536782e-19 -1.286799378833538e-18 -1.91895899807448e-18 -2.8650763439841598e-18 -4.381184049205679e-18 ] } }