{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.3505 4.991997 4.769811 4.608381 4.481516 4.376994 4.288111 4.210791 4.142367 4.081004 4.025378 3.974508 3.927645 3.884204 3.843717 3.80581 3.770172 3.736547 3.704721 3.67451 3.645758 3.618332 3.592113 3.567 3.549904 3.531911 3.512922 3.49282 3.471466 3.448695 3.424303 3.398045 3.369608 3.3386 3.304508 3.26665 3.224091 3.175495 3.11886 3.050992 2.966301 2.8536 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.3505e-10 4.991997e-10 4.769811e-10 4.608381e-10 4.4815160000000004e-10 4.376994e-10 4.288111e-10 4.2107910000000003e-10 4.1423670000000004e-10 4.0810040000000004e-10 4.025378e-10 3.974508e-10 3.9276450000000003e-10 3.884204e-10 3.843717e-10 3.8058100000000005e-10 3.7701720000000005e-10 3.736547e-10 3.704721e-10 3.67451e-10 3.645758e-10 3.618332e-10 3.592113e-10 3.567e-10 3.549904e-10 3.5319110000000004e-10 3.512922e-10 3.49282e-10 3.471466e-10 3.448695e-10 3.424303e-10 3.3980450000000004e-10 3.369608e-10 3.3386e-10 3.304508e-10 3.26665e-10 3.224091e-10 3.1754950000000005e-10 3.11886e-10 3.050992e-10 2.966301e-10 2.8536000000000004e-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" [ 2.6312 3.52244 4.16823 4.67535 5.08997 5.43716 5.73235 5.98587 6.20503 6.39522 6.56057 6.70433 6.82908 6.93694 7.02968 7.10876 7.17545 7.23081 7.27578 7.31116 7.33768 7.35596 7.36657 7.37 7.36835 7.36296 7.35301 7.3375 7.31514 7.28428 7.24274 7.18765 7.11513 7.01981 6.89404 6.72668 6.50075 6.18922 5.74636 5.08837 4.04345 2.19448 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.2156471246489607e-19 5.643571016170752e-19 6.678240656117185e-19 7.49073646405728e-19 8.155030934573377e-19 8.71129063554893e-19 9.18423715224288e-19 9.590420969148097e-19 9.941553997362624e-19 1.0246271968872576e-18 1.0511191873121857e-18 1.0741520784128065e-18 1.0941392317572864e-18 1.1114203087892352e-18 1.1262788947705345e-18 1.1389489074878208e-18 1.149633823371936e-18 1.1585034731446848e-18 1.1657084614084224e-18 1.171376962292813e-18 1.1756259346911743e-18 1.1785547135539968e-18 1.1802546229486656e-18 1.1808041695296002e-18 1.1805398103871681e-18 1.1796762371885569e-18 1.1780820714508608e-18 1.1755970955120001e-18 1.1720146285878913e-18 1.1670703115361024e-18 1.1604148698532993e-18 1.1515884788493121e-18 1.1399694939952705e-18 1.1246975464458049e-18 1.1045469710860033e-18 1.0777329431602945e-18 1.04153496676656e-18 9.916223584987777e-19 9.206683646700289e-19 8.152467451980097e-19 6.478321057373761e-19 3.5159445508131843e-19 ] } }