{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.12974 8.518013 8.138889 7.863435 7.646962 7.468613 7.316948 7.185013 7.06826 6.963553 6.868637 6.781836 6.701872 6.627746 6.558662 6.493979 6.433169 6.375795 6.321488 6.269938 6.220878 6.174079 6.129341 6.08649 6.04317 5.998529 5.952482 5.90494 5.855802 5.804956 5.75228 5.697636 5.640873 5.58182 5.520283 5.456044 5.388856 5.318434 5.244451 5.166528 5.084222 4.997009 4.904269 4.805251 4.699045 4.584523 4.460274 4.324489 4.174805 4.008049 3.819819 3.603755 3.350174 3.04325 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.12974e-10 8.518013e-10 8.138889000000001e-10 7.863435e-10 7.646962000000001e-10 7.468613e-10 7.316948000000001e-10 7.185013e-10 7.068260000000001e-10 6.963553e-10 6.868637e-10 6.781836e-10 6.701872e-10 6.627746e-10 6.558662000000001e-10 6.493979000000001e-10 6.433169000000001e-10 6.375795e-10 6.321488000000001e-10 6.269938e-10 6.220878e-10 6.174079e-10 6.129341e-10 6.086490000000001e-10 6.04317e-10 5.998529e-10 5.952482e-10 5.90494e-10 5.855802e-10 5.804956e-10 5.75228e-10 5.697636e-10 5.640873e-10 5.581819999999999e-10 5.520283e-10 5.456044e-10 5.388856e-10 5.318434e-10 5.244451e-10 5.166527999999999e-10 5.084222e-10 4.997009e-10 4.904269000000001e-10 4.805251e-10 4.699045e-10 4.584523e-10 4.460274e-10 4.324489e-10 4.1748050000000005e-10 4.008049e-10 3.819819e-10 3.603755e-10 3.350174e-10 3.0432500000000003e-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" [ 0.47335 0.626733 0.739555 0.829495 0.904103 0.967353 1.02182 1.06914 1.1105 1.14675 1.17856 1.20645 1.23087 1.25215 1.27059 1.28646 1.29992 1.31117 1.32034 1.32761 1.33312 1.33693 1.33914 1.33986 1.33907 1.33653 1.33191 1.32485 1.3149 1.30154 1.2841 1.26182 1.23373 1.19865 1.15513 1.10138 1.0351 0.95336 0.85238 0.727324 0.571812 0.377171 0.131786 -0.180553 -0.582678 -1.10771 -1.80493 -2.75103 -4.06875 -5.96574 -8.81514 -13.3437 -21.125 -36.1137 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.583903097038999e-20 1.0041369683567219e-19 1.1848977405578698e-19 1.3289975070198298e-19 1.448532701329302e-19 1.549870373429802e-19 1.6371361281538798e-19 1.71295112647476e-19 1.779217152057e-19 1.8372960550394997e-19 1.88826129376704e-19 1.9329460000893e-19 1.9720711534915798e-19 2.0061654722631e-19 2.03570960939406e-19 2.0611361525756397e-19 2.0827014500692797e-19 2.1007259372017797e-19 2.11541789693556e-19 2.1270657210647398e-19 2.13589371431808e-19 2.1419980072936197e-19 2.1455388176547598e-19 2.14669238483124e-19 2.1454266652903798e-19 2.1413571366400199e-19 2.1339550805909397e-19 2.1226437135549e-19 2.1067020560465998e-19 2.0852969762163598e-19 2.0573550157194e-19 2.0216585203138798e-19 1.97665337866482e-19 1.9204490223441e-19 1.85072229523242e-19 1.7646053011549198e-19 1.6584130338533997e-19 1.52745111579024e-19 1.3656633192889198e-19 1.1653015181474158e-19 9.161438254408079e-20 6.042945632224139e-20 2.1114444988832397e-20 -2.8927779779860197e-20 -9.33553076745852e-20 -1.77474707924814e-19 -2.89181667200562e-19 -4.40763598543302e-19 -6.518856179587499e-19 -9.55816923251916e-19 -1.412341133343876e-18 -2.1378964351105797e-18 -3.384598139325e-18 -5.78605263072858e-18 ] } }