{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 9.07287 8.464954 8.088192 7.814455 7.59933 7.422092 7.271372 7.140259 7.024233 6.920179 6.825854 6.739594 6.660128 6.586464 6.517811 6.453531 6.3931 6.336083 6.282114 6.230885 6.182131 6.135623 6.091164 6.04858 6.00553 5.961166 5.915407 5.868161 5.819328 5.768799 5.716451 5.662148 5.605738 5.547052 5.485898 5.42206 5.35529 5.285306 5.211784 5.134347 5.052553 4.965884 4.87372 4.775319 4.669774 4.555966 4.43249 4.297551 4.148799 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.072870000000001e-10 8.464954000000001e-10 8.088192e-10 7.814455e-10 7.59933e-10 7.422092e-10 7.271372000000001e-10 7.140259000000001e-10 7.024233e-10 6.920179e-10 6.825854e-10 6.739594e-10 6.660128e-10 6.586464000000001e-10 6.517811e-10 6.453531e-10 6.393099999999999e-10 6.336083e-10 6.282114e-10 6.230885e-10 6.182131e-10 6.135623e-10 6.091164000000001e-10 6.04858e-10 6.005530000000001e-10 5.961166000000001e-10 5.915407e-10 5.868161e-10 5.819327999999999e-10 5.768798999999999e-10 5.716451000000001e-10 5.662148e-10 5.605738e-10 5.547052e-10 5.485898e-10 5.42206e-10 5.35529e-10 5.285306e-10 5.211784e-10 5.134347e-10 5.052553e-10 4.965884e-10 4.87372e-10 4.775319e-10 4.669774000000001e-10 4.555966e-10 4.43249e-10 4.2975510000000006e-10 4.1487990000000004e-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" [ 1.15364 1.72924 2.23513 2.69878 3.13217 3.53814 3.92113 4.28113 4.6193 4.9363 5.23284 5.50951 5.76554 6.00082 6.21608 6.41095 6.58431 6.73582 6.86508 6.97166 7.05513 7.11502 7.1519 7.16435 7.1503 7.1033 7.01468 6.87405 6.66684 6.37499 5.97518 5.43704 4.72058 3.77324 2.52349 0.874799 -1.30416 -4.20054 -8.07739 -13.3116 -20.4634 -30.3742 -44.3534 -64.4828 -94.1994 -139.413 -210.77 -328.616 -534.595 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.84833505204776e-19 2.77054792257816e-19 3.5810730599524195e-19 4.32392225630652e-19 5.018289587715779e-19 5.66872523582076e-19 6.282342864876419e-19 6.85912645311642e-19 7.4009345254362e-19 7.9088245184142e-19 8.38393397746056e-19 8.82720818678934e-19 9.237413470392358e-19 9.614373588839879e-19 9.959258131074719e-19 1.0271474291742298e-18 1.054922763301254e-18 1.079197341482988e-18 1.0999070766540718e-18 1.1169830752192439e-18 1.1303564435832419e-18 1.139951879444268e-18 1.14586070687046e-18 1.1478554167797898e-18 1.1456043586090199e-18 1.13807412842922e-18 1.123875639098712e-18 1.10134422909477e-18 1.068145527061656e-18 1.021386001998366e-18 9.57329377994412e-19 8.711098446123358e-19 7.563202974927719e-19 6.04539696247416e-19 4.0430767141326593e-19 1.401582517246566e-19 -2.0894946789974398e-19 -6.7300070381823595e-19 -1.2941405521705257e-18 -2.13275344811544e-18 -3.2785981332195597e-18 -4.86648335164428e-18 -7.10619811184556e-18 -1.0331283545489519e-17 -1.509240776168196e-17 -2.23364251075842e-17 -3.3769076914818e-17 -5.2650087675854394e-17 -8.5651561765323e-17 ] } }