{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" [ 6.36848 5.941768 5.677308 5.485165 5.334163 5.209755 5.10396 5.011929 4.930487 4.857448 4.791239 4.730691 4.674912 4.623205 4.575016 4.529896 4.487477 4.447456 4.409574 4.373615 4.339393 4.306748 4.275541 4.24565 4.215432 4.184292 4.152173 4.11901 4.084733 4.049265 4.012521 3.974404 3.934809 3.893616 3.850691 3.805881 3.759013 3.70989 3.658283 3.603928 3.546515 3.48568 3.420988 3.351918 3.277834 3.197949 3.111279 3.016562 2.912149 2.795828 2.664527 2.513812 2.336925 2.12283 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.36848e-10 5.941768e-10 5.677308e-10 5.485165e-10 5.334163000000001e-10 5.209755e-10 5.10396e-10 5.011929e-10 4.930487000000001e-10 4.857448e-10 4.791239e-10 4.730691e-10 4.674912e-10 4.6232049999999996e-10 4.575016e-10 4.5298960000000003e-10 4.487477e-10 4.447456e-10 4.4095740000000005e-10 4.3736150000000004e-10 4.3393930000000004e-10 4.306748e-10 4.2755409999999995e-10 4.2456500000000007e-10 4.215432e-10 4.184292e-10 4.1521730000000006e-10 4.1190100000000005e-10 4.084733e-10 4.0492650000000004e-10 4.012521e-10 3.974404e-10 3.934809e-10 3.8936160000000003e-10 3.850691e-10 3.805881e-10 3.759013e-10 3.70989e-10 3.658283e-10 3.603928e-10 3.546515e-10 3.48568e-10 3.420988e-10 3.351918e-10 3.2778340000000003e-10 3.197949e-10 3.1112790000000004e-10 3.016562e-10 2.912149e-10 2.7958280000000004e-10 2.6645270000000003e-10 2.5138120000000004e-10 2.336925e-10 2.1228300000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 2.73485 3.44261 4.04167 4.62709 5.1465 5.56037 5.88233 6.145 6.36698 6.56041 6.73671 6.90651 7.07615 7.24542 7.40883 7.55777 7.68347 7.78182 7.8545 7.90572 7.93998 7.96122 7.97238 7.9757 7.97257 7.96322 7.94772 7.92572 7.89586 7.85619 7.80392 7.73518 7.6449 7.52683 7.37236 7.16844 6.8992 6.54464 6.0734 5.44123 4.59326 3.47905 2.09037 0.550512 -1.04326 -2.78677 -5.04109 -9.09414 -16.1708 -25.2762 -37.6018 -58.1309 -89.0882 -147.54 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.381712767494899e-19 5.51566930197474e-19 6.47546923633878e-19 7.413415481415059e-19 8.245602046880999e-19 8.908694890394578e-19 9.42453167947722e-19 9.845375415929998e-19 1.0201026585145319e-18 1.051093561145994e-18 1.079339935203414e-18 1.106544894448734e-18 1.13372421886791e-18 1.160844262751628e-18 1.1870254311278219e-18 1.210888249914618e-18 1.231027610203998e-18 1.2467850173993879e-18 1.2584296371753e-18 1.2666359858946478e-18 1.272125043042732e-18 1.275528066213348e-18 1.2773160953368919e-18 1.2778480179793799e-18 1.277346536692938e-18 1.2758485015401479e-18 1.273365127757448e-18 1.269840339162648e-18 1.265056239733524e-18 1.2587004050264459e-18 1.2503258277605279e-18 1.239312465578412e-18 1.22484801492666e-18 1.2059311154090219e-18 1.181182292943624e-18 1.148510707023096e-18 1.10537370332928e-18 1.048566928594176e-18 9.7306595689356e-19 8.717811566219819e-19 7.35921384588684e-19 5.574052618517699e-19 3.3491419704145797e-19 8.820174631366079e-20 -1.67148679518684e-19 -4.46489777833218e-19 -8.076716607891059e-19 -1.4570418614324759e-18 -2.5908477913087197e-18 -4.04969370363108e-18 -6.024472535634119e-18 -9.313596969339059e-18 -1.427350324051188e-17 -2.3638514058035996e-17 ] } }