{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Au" "Au" ] } "a" { "source-value" [ 4.84905 4.524146 4.322783 4.176482 4.061508 3.966782 3.886229 3.816154 3.754144 3.698531 3.648119 3.602017 3.559546 3.520175 3.483483 3.449128 3.416831 3.386357 3.357514 3.330134 3.304077 3.279221 3.255459 3.2327 3.217206 3.200899 3.18369 3.165472 3.14612 3.125482 3.103377 3.079579 3.053808 3.025706 2.994809 2.960499 2.921929 2.877887 2.82656 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.84905e-10 4.524146e-10 4.3227830000000006e-10 4.176482e-10 4.061508e-10 3.966782e-10 3.8862290000000004e-10 3.816154e-10 3.754144e-10 3.6985310000000003e-10 3.648119e-10 3.6020170000000003e-10 3.559546e-10 3.520175e-10 3.483483e-10 3.449128e-10 3.416831e-10 3.386357e-10 3.3575140000000004e-10 3.330134e-10 3.304077e-10 3.2792210000000004e-10 3.255459e-10 3.2327e-10 3.2172060000000004e-10 3.2008990000000005e-10 3.18369e-10 3.165472e-10 3.14612e-10 3.125482e-10 3.1033770000000003e-10 3.079579e-10 3.0538080000000003e-10 3.025706e-10 2.994809e-10 2.960499e-10 2.921929e-10 2.877887e-10 2.8265600000000005e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.761532 1.15524 1.48211 1.7649 2.01441 2.237 2.43683 2.61685 2.77927 2.92579 3.05777 3.17633 3.28239 3.37673 3.46004 3.53289 3.5958 3.64923 3.69356 3.72918 3.7564 3.77552 3.78681 3.79052 3.7887 3.78269 3.77146 3.75371 3.72776 3.69136 3.64156 3.57432 3.48404 3.3628 3.19902 2.97521 2.66393 2.21977 1.56256 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2201087663910656e-19 1.850898519412992e-19 2.3746019914538883e-19 2.82768151804992e-19 3.227440606705728e-19 3.5840691007296e-19 3.904232054864064e-19 4.19265589014048e-19 4.452881416890816e-19 4.687632335370433e-19 4.899087605783616e-19 5.089041665945665e-19 5.258968518347713e-19 5.410117860753984e-19 5.543595195032832e-19 5.6603137618581125e-19 5.76110669307264e-19 5.846710989921985e-19 5.917735479522049e-19 5.974805010754944e-19 6.0184162583731205e-19 6.049049875362817e-19 6.067138449411648e-19 6.073082524674817e-19 6.07016656322496e-19 6.060537481733952e-19 6.042545038282368e-19 6.014106403263168e-19 5.972529919953408e-19 5.914210690956289e-19 5.834422295240449e-19 5.726691939257857e-19 5.582047433932032e-19 5.38779954042624e-19 5.125395053471617e-19 4.766811903970369e-19 4.2680863654477447e-19 3.556463597553216e-19 2.503497100597248e-19 ] } }