{ "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" [ "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" [ 19.984 18.645005 17.815149 17.212215 16.738381 16.347996 16.016021 15.727232 15.471674 15.242483 15.034723 14.844728 14.669696 14.507442 14.356227 14.214644 14.081539 13.955953 13.837083 13.724246 13.616859 13.514421 13.416495 13.3227 13.227877 13.130161 13.029371 12.925306 12.817746 12.70645 12.591147 12.471538 12.34729 12.218027 12.083328 11.942716 11.795648 11.641501 11.47956 11.308995 11.128835 10.937935 10.734935 10.518195 10.28572 10.035044 9.763075 9.465855 9.138211 8.773199 8.361182 7.88824 7.333176 6.66135 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.9984e-09 1.8645005e-09 1.7815149000000003e-09 1.7212215e-09 1.6738381e-09 1.6347995999999999e-09 1.6016021e-09 1.5727232000000001e-09 1.5471674000000001e-09 1.5242483e-09 1.5034723e-09 1.4844728e-09 1.4669696e-09 1.4507442e-09 1.4356227e-09 1.4214644000000001e-09 1.4081539e-09 1.3955953e-09 1.3837083e-09 1.3724246000000001e-09 1.3616859e-09 1.3514421e-09 1.3416495e-09 1.33227e-09 1.3227877e-09 1.3130161e-09 1.3029371e-09 1.2925306e-09 1.2817746e-09 1.270645e-09 1.2591147e-09 1.2471538000000002e-09 1.234729e-09 1.2218026999999999e-09 1.2083328e-09 1.1942716000000002e-09 1.1795648e-09 1.1641501e-09 1.147956e-09 1.1308995e-09 1.1128835e-09 1.0937935e-09 1.0734935e-09 1.0518195e-09 1.028572e-09 1.0035044e-09 9.763075000000001e-10 9.465855e-10 9.138211e-10 8.773199e-10 8.361181999999999e-10 7.88824e-10 7.333176000000001e-10 6.66135e-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" [ 7.87454e-06 4.49531e-05 0.000106235 0.000184061 0.00027283 0.000368477 0.000467971 0.000568983 0.000669685 0.000768608 0.000864558 0.000956543 0.00104374 0.00112544 0.00120106 0.00127008 0.00133206 0.00138662 0.00143344 0.00147221 0.00150271 0.00152471 0.00153802 0.0015425 0.00153747 0.00152073 0.00148933 0.00143961 0.001367 0.00126579 0.00112876 0.000946804 0.0007083 0.000398353 -2.2732e-06 -0.000518625 -0.0011836 -0.00204084 -0.00314882 -0.0045869 -0.00646424 -0.00893325 -0.0122104 -0.0166094 -0.0225946 -0.0308721 -0.0425474 -0.0594151 -0.0845138 -0.123265 -0.185991 -0.294069 -0.497036 -0.929409 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.261640399149836e-24 7.20228064458654e-24 1.7020723471298998e-23 2.94898233430674e-23 4.3712185105422e-23 5.903652395664179e-23 7.49772201589614e-23 9.116112677432219e-23 1.07295365914029e-22 1.231445778305472e-22 1.3851746263377719e-22 1.532550844016262e-22 1.67225583997116e-22 1.8031536709689598e-22 1.92431026803204e-22 2.03489249931072e-22 2.13419540708604e-22 2.22161016423708e-22 2.2966240742409597e-22 2.35874046234114e-22 2.4076068496781396e-22 2.44285473562614e-22 2.4641797066246797e-22 2.471357457945e-22 2.46329850947598e-22 2.43647807262282e-22 2.38616972631522e-22 2.3065095040727398e-22 2.1901754586779996e-22 2.0280191615508596e-22 1.8084728973938398e-22 1.516947245777736e-22 1.1348217098622e-22 6.38231868683802e-23 -3.6420679244088e-25 -8.309288568082499e-23 -1.8963362640023998e-22 -3.2697861617325597e-22 -5.04496582867188e-22 -7.349024002494599e-22 -1.0356854284568159e-21 -1.4312644415680499e-21 -1.95632175717936e-21 -2.6611192584759598e-21 -3.6200540174576395e-21 -4.94625572625114e-21 -6.81684501174516e-21 -9.51934849267734e-21 -1.3540603561054918e-20 -1.9749230279000998e-20 -2.97990434334294e-20 -4.71150480583746e-20 -7.963394654568239e-20 -1.489077383229306e-19 ] } }