{ "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" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 6.117 5.707138 5.453123 5.268567 5.123528 5.004032 4.902416 4.814019 4.735793 4.665639 4.602044 4.543887 4.490311 4.440645 4.394359 4.351021 4.310278 4.271836 4.235451 4.200912 4.168041 4.136685 4.10671 4.078 4.058455 4.037884 4.016175 3.993193 3.96878 3.942746 3.914861 3.884841 3.85233 3.81688 3.777904 3.734623 3.685967 3.630409 3.565661 3.48807 3.391246 3.2624 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.117000000000001e-10 5.707138e-10 5.453123e-10 5.268567000000001e-10 5.123528000000001e-10 5.004031999999999e-10 4.902415999999999e-10 4.814019e-10 4.735793e-10 4.665639e-10 4.6020440000000003e-10 4.543887e-10 4.4903110000000004e-10 4.440645e-10 4.3943589999999997e-10 4.351021e-10 4.3102780000000003e-10 4.271836000000001e-10 4.2354510000000004e-10 4.200912e-10 4.1680409999999996e-10 4.136685e-10 4.10671e-10 4.0780000000000003e-10 4.0584550000000006e-10 4.037884e-10 4.016175e-10 3.9931930000000006e-10 3.96878e-10 3.9427460000000004e-10 3.914861e-10 3.8848410000000005e-10 3.85233e-10 3.81688e-10 3.777904e-10 3.7346230000000003e-10 3.6859670000000003e-10 3.6304090000000005e-10 3.565661e-10 3.4880700000000003e-10 3.3912460000000003e-10 3.2624e-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" [ 0.0488129 0.733063 1.23626 1.61969 1.928 2.18503 2.40519 2.59698 2.76277 2.90362 3.02665 3.13996 3.24639 3.34447 3.43304 3.51153 3.57974 3.63774 3.68574 3.72409 3.75316 3.77339 3.7852 3.78905 3.78708 3.78017 3.76643 3.74343 3.70799 3.65593 3.58165 3.47758 3.33329 3.13525 2.87411 2.54396 2.1384 1.62847 0.950133 -0.0180758 -1.55257 -4.3708 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.820688717344832e-21 1.1744964001735105e-19 1.980706869230208e-19 2.5950294509435523e-19 3.0889965249024003e-19 3.500803981746624e-19 3.8535391865819526e-19 4.160820640685184e-19 4.426445502647616e-19 4.652112079687297e-19 4.84922786934432e-19 5.0307705022471685e-19 5.201290159998912e-19 5.358431642966976e-19 5.500336426271232e-19 5.626091269237824e-19 5.735375736542592e-19 5.828301980548992e-19 5.905206458347392e-19 5.966649931755072e-19 6.013225206121728e-19 6.045637239160512e-19 6.06455894505216e-19 6.07072732504224e-19 6.067571037099264e-19 6.056499996649536e-19 6.034486089879745e-19 5.997636027601345e-19 5.940854888160192e-19 5.857445573281345e-19 5.73843589388832e-19 5.571697372961664e-19 5.340519308346432e-19 5.0232242503632e-19 4.604831847607488e-19 4.0758732362503686e-19 3.42609448591872e-19 2.609096561674176e-19 1.5222808792505664e-19 -2.8960624162256642e-21 -2.487491356155456e-19 -7.002793574192641e-19 ] } }