{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.42037 5.057185 4.832098 4.66856 4.540039 4.434152 4.344108 4.265778 4.196461 4.134296 4.077944 4.02641 3.978935 3.934926 3.893911 3.855508 3.819405 3.785342 3.7531 3.722494 3.693367 3.665582 3.639021 3.61358 3.587861 3.561357 3.534019 3.505793 3.476619 3.446431 3.415157 3.382715 3.349015 3.313954 3.277419 3.23928 3.19939 3.15758 3.113656 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.42037e-10 5.057185e-10 4.832098000000001e-10 4.66856e-10 4.5400390000000004e-10 4.4341520000000003e-10 4.3441080000000005e-10 4.265778e-10 4.1964610000000004e-10 4.134296e-10 4.0779439999999995e-10 4.0264100000000003e-10 3.978935e-10 3.934926e-10 3.8939110000000003e-10 3.855508e-10 3.8194050000000003e-10 3.7853420000000003e-10 3.7531e-10 3.7224940000000005e-10 3.693367e-10 3.665582e-10 3.639021e-10 3.61358e-10 3.587861e-10 3.5613570000000005e-10 3.534019e-10 3.5057930000000003e-10 3.476619e-10 3.446431e-10 3.4151570000000005e-10 3.382715e-10 3.349015e-10 3.313954e-10 3.2774190000000003e-10 3.23928e-10 3.1993900000000003e-10 3.15758e-10 3.113656e-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" [ 0.905365 1.38723 1.74818 2.0291 2.25445 2.44018 2.59575 2.72689 2.83937 2.93884 3.02882 3.11072 3.18491 3.25152 3.31068 3.36255 3.40732 3.44513 3.47615 3.50064 3.5189 3.53136 3.53847 3.54073 3.53836 3.53078 3.51711 3.49626 3.46687 3.42719 3.37501 3.30745 3.22084 3.11062 2.97138 2.7967 2.57873 2.30702 1.96687 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4505546482414097e-19 2.22258749198382e-19 2.80089314802612e-19 3.2509766080494e-19 3.6120271125212995e-19 3.9095993787541193e-19 4.1588499977054995e-19 4.36895944148826e-19 4.54917226928058e-19 4.708540779064559e-19 4.852704632591879e-19 4.98392289891648e-19 5.102788383392939e-19 5.20950936898368e-19 5.30429413865112e-19 5.3873990406566995e-19 5.459128488560879e-19 5.519706787092419e-19 5.5694063062791e-19 5.60864361204576e-19 5.6378993573826e-19 5.65786247824224e-19 5.669253954109979e-19 5.67287487330282e-19 5.66907771468024e-19 5.65693321579452e-19 5.635031461207739e-19 5.601626078388839e-19 5.55453810711558e-19 5.49096373827846e-19 5.40736216151634e-19 5.299119108123299e-19 5.16035458985256e-19 4.98376268125308e-19 4.760675606734919e-19 4.480807392307799e-19 4.13158095139482e-19 3.69625353817068e-19 3.1512731561155795e-19 ] } }