{ "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" [ "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "a" { "source-value" [ 8.52984 7.958309 7.604097 7.346743 7.144494 6.977864 6.836165 6.7129 6.603819 6.505992 6.417313 6.336216 6.261506 6.19225 6.127706 6.067273 6.010459 5.956855 5.906117 5.857954 5.812118 5.768393 5.726595 5.68656 5.659305 5.630621 5.600348 5.568301 5.534259 5.497956 5.459072 5.41721 5.371876 5.322442 5.268092 5.207739 5.139891 5.062418 4.972131 4.863934 4.728919 4.54925 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.52984e-10 7.958309e-10 7.604097000000001e-10 7.346743e-10 7.144494000000001e-10 6.977864e-10 6.836165000000001e-10 6.712900000000001e-10 6.603819e-10 6.505992000000001e-10 6.417313e-10 6.336216e-10 6.261506e-10 6.19225e-10 6.127706e-10 6.067273e-10 6.010459e-10 5.956855000000001e-10 5.906117e-10 5.857954000000001e-10 5.812118000000001e-10 5.768393e-10 5.726595e-10 5.68656e-10 5.659305e-10 5.630621e-10 5.600348000000001e-10 5.568301000000001e-10 5.534259e-10 5.497956e-10 5.459072e-10 5.41721e-10 5.371876e-10 5.322442e-10 5.268092e-10 5.207739000000001e-10 5.139891e-10 5.062418000000001e-10 4.972131e-10 4.863934000000001e-10 4.728919000000001e-10 4.54925e-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" [ 1.01404 1.38239 1.75215 2.04902 2.27411 2.46049 2.63283 2.80136 2.96713 3.12724 3.27889 3.42014 3.54986 3.66748 3.77283 3.86602 3.94725 4.0168 4.07495 4.12185 4.15769 4.18281 4.19759 4.20242 4.20007 4.19231 4.17788 4.15517 4.12207 4.07588 4.01299 3.92857 3.8159 3.66535 3.46255 3.18336 2.78272 2.18268 1.24371 -0.303836 -3.05729 -8.50127 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.62467119394136e-19 2.21483295707526e-19 2.8072537892631e-19 3.28289196659868e-19 3.6435259051457395e-19 3.9421395861906597e-19 4.218258707294219e-19 4.48827353542224e-19 4.75386635604042e-19 5.01039085691016e-19 5.25336094345626e-19 5.47966839300876e-19 5.687502745971239e-19 5.87595076166232e-19 6.04474007005422e-19 6.194046910576679e-19 6.324191718556499e-19 6.435623103451199e-19 6.5287896747183e-19 6.6039317588529e-19 6.661353769415459e-19 6.70160044646154e-19 6.72528061711206e-19 6.73301913025428e-19 6.72925401516438e-19 6.71682112448454e-19 6.693701715655919e-19 6.657316284297779e-19 6.604284237712379e-19 6.530279698987919e-19 6.42951881047566e-19 6.294263059033379e-19 6.1137458176806e-19 5.8725381254319e-19 5.547616704056699e-19 5.100305009610239e-19 4.458408962964479e-19 3.4970388954991197e-19 1.99264310147214e-19 -4.8679893976802397e-20 -4.89831860136186e-19 -1.3620536153325179e-18 ] } }