{ "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" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 8.17009 7.622664 7.283392 7.036892 6.843174 6.683571 6.547849 6.429782 6.325302 6.231601 6.146662 6.068985 5.997427 5.931092 5.86927 5.811386 5.756968 5.705625 5.657027 5.610895 5.566992 5.525112 5.485076 5.44673 5.407963 5.368014 5.326808 5.284263 5.240289 5.194787 5.147648 5.098748 5.047951 4.995105 4.940036 4.882549 4.822423 4.759403 4.693196 4.623464 4.549809 4.471763 4.38877 4.30016 4.205117 4.102633 3.991443 3.86993 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.17009e-10 7.622664000000001e-10 7.283392e-10 7.036892e-10 6.843174000000001e-10 6.683571e-10 6.547849e-10 6.429782e-10 6.325302e-10 6.231601000000001e-10 6.146662e-10 6.068985e-10 5.997427000000001e-10 5.931092e-10 5.86927e-10 5.811386e-10 5.756968e-10 5.705625e-10 5.657027000000001e-10 5.610895e-10 5.566992e-10 5.525112000000001e-10 5.485076000000001e-10 5.44673e-10 5.407963e-10 5.368014e-10 5.326808e-10 5.284263000000001e-10 5.240289e-10 5.194787e-10 5.147648000000001e-10 5.098748e-10 5.047951e-10 4.995105e-10 4.940036000000001e-10 4.882549000000001e-10 4.822423e-10 4.759403e-10 4.693196000000001e-10 4.6234640000000005e-10 4.549809e-10 4.471763e-10 4.38877e-10 4.30016e-10 4.2051170000000005e-10 4.102633e-10 3.991443e-10 3.86993e-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" [ 0.576741 0.88454 1.1993 1.57063 1.97324 2.3299 2.61925 2.85591 3.05714 3.23543 3.39877 3.55153 3.69514 3.82885 3.95079 4.05904 4.15238 4.23046 4.29373 4.343 4.37938 4.40402 4.41805 4.42251 4.41791 4.40341 4.37795 4.34031 4.28914 4.22288 4.13964 4.03719 3.91277 3.76281 3.58289 3.36548 3.09168 2.74394 2.30097 1.73524 1.01002 0.0750905 -1.13848 -2.72609 -4.8278 -7.67017 -11.6359 -17.3362 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.240409540697939e-20 1.4171893198383599e-19 1.9214904371562e-19 2.5164266866594197e-19 3.16147902127416e-19 3.7329113395565996e-19 4.1965011486045e-19 4.57567227080694e-19 4.89807827486676e-19 5.183730346942619e-19 5.445429878340179e-19 5.69017838095002e-19 5.920266967358759e-19 6.134494005090899e-19 6.32986342384086e-19 6.50329904447136e-19 6.652846211488919e-19 6.777944163071639e-19 6.87931387870482e-19 6.958253121462e-19 7.01654030740692e-19 7.056017939668679e-19 7.0784964778437e-19 7.08564218563134e-19 7.07827217311494e-19 7.05504061192194e-19 7.014249194820299e-19 6.953943266316539e-19 6.871959887954759e-19 6.765799664185919e-19 6.632434481171759e-19 6.468291485018459e-19 6.268948668216179e-19 6.028686260181539e-19 5.740422640192259e-19 5.392093418194319e-19 4.95341745580512e-19 4.396276553097959e-19 3.6865603695349795e-19 2.7801609823821596e-19 1.6182304438726798e-19 1.20308244535377e-20 -1.8240460542763197e-19 -4.36767770018106e-19 -7.734988353625199e-19 -1.2288967152807778e-18 -1.8642767095560597e-18 -2.77756545623508e-18 ] } }