{ "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" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" [ 8.13889 7.593555 7.255578 7.01002 6.817041 6.658048 6.522844 6.405228 6.301147 6.207804 6.123189 6.045809 5.974524 5.908442 5.846857 5.789194 5.734984 5.683836 5.635424 5.589468 5.545733 5.504013 5.46413 5.42593 5.399924 5.372554 5.343669 5.31309 5.280608 5.245969 5.208867 5.168923 5.125667 5.078499 5.026639 4.969053 4.904314 4.830391 4.744242 4.641003 4.512175 4.34074 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.138890000000001e-10 7.593555000000001e-10 7.255578e-10 7.01002e-10 6.817041e-10 6.658048e-10 6.522844e-10 6.405228e-10 6.301147000000001e-10 6.207804e-10 6.123189e-10 6.045809000000001e-10 5.974524e-10 5.908442e-10 5.846857e-10 5.789194e-10 5.734984e-10 5.683836000000001e-10 5.635424e-10 5.589468e-10 5.545733e-10 5.504013e-10 5.46413e-10 5.42593e-10 5.399924000000001e-10 5.372554e-10 5.343669e-10 5.31309e-10 5.280608e-10 5.245969e-10 5.208867e-10 5.168923000000001e-10 5.125667e-10 5.078499e-10 5.026639e-10 4.969052999999999e-10 4.904314000000001e-10 4.830390999999999e-10 4.744242e-10 4.641003000000001e-10 4.512175e-10 4.3407400000000007e-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" [ 0.0958356 0.143652 0.185676 0.224193 0.260195 0.29392 0.325736 0.355642 0.383733 0.410067 0.434701 0.457684 0.478953 0.498499 0.51638 0.532568 0.546969 0.559555 0.570292 0.579147 0.58608 0.591055 0.594118 0.595153 0.594632 0.592879 0.589542 0.584157 0.576129 0.564597 0.548374 0.525802 0.494481 0.450848 0.389432 0.301556 0.17258 -0.0233494 -0.336057 -0.871926 -1.89322 -4.21907 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.535455577603405e-20 2.3015587593116162e-20 2.9748574624366084e-20 3.5919678314701443e-20 4.1687834584905604e-20 4.7091175238553604e-20 5.2188660375290886e-20 5.698012977745536e-20 6.148080412294465e-20 6.569997603615937e-20 6.964677792383808e-20 7.332906045142273e-20 7.673672990620225e-20 7.986834432921793e-20 8.273319634487039e-20 8.532679985862145e-20 8.763409441023553e-20 8.96505939051744e-20 9.137085094292736e-20 9.278957834064576e-20 9.390036739184642e-20 9.46974502606944e-20 9.518819695964545e-20 9.535402223989826e-20 9.527054883795457e-20 9.498968727632834e-20 9.445504093796737e-20 9.359226882766657e-20 9.230604143648832e-20 9.045841135738176e-20 8.785920022545793e-20 8.424276715698816e-20 7.922458976298049e-20 7.223381251344384e-20 6.239388457913857e-20 4.8314597306196484e-20 2.7650364121766405e-20 -3.740986278970752e-21 -5.384226686561856e-20 -1.396979452267661e-19 -3.033272822030976e-19 -6.759695315518657e-19 ] } }