{ "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 3.596261 3.578032 3.558795 3.538431 3.516798 3.493729 3.469019 3.442417 3.413609 3.382196 3.347659 3.309307 3.266191 3.21696 3.159586 ] "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 3.5962610000000003e-10 3.578032e-10 3.558795e-10 3.5384310000000005e-10 3.516798e-10 3.493729e-10 3.469019e-10 3.442417e-10 3.4136090000000003e-10 3.382196e-10 3.347659e-10 3.3093070000000003e-10 3.2661910000000003e-10 3.21696e-10 3.1595860000000003e-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 3.53966 3.53617 3.52975 3.51973 3.50524 3.48512 3.4578 3.42115 3.37211 3.30625 3.21697 3.09435 2.92319 2.67942 2.32116 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.450554636290592e-19 2.222587473672384e-19 2.800893124950144e-19 3.2509765812652806e-19 3.61202708276256e-19 3.909599346543744e-19 4.1588499634416e-19 4.368959405493313e-19 4.549172231800896e-19 4.708540740271872e-19 4.852704592611456e-19 4.983922857854977e-19 5.102788341352128e-19 5.209509326063617e-19 5.304294094950144e-19 5.38739899627104e-19 5.459128443584256e-19 5.519706741616704e-19 5.56940626039392e-19 5.608643565837312e-19 5.63789931093312e-19 5.657862431628288e-19 5.669253907402176e-19 5.672874826565184e-19 5.6711604975809285e-19 5.665568901174336e-19 5.6552829272688e-19 5.639229117528385e-19 5.616013578292992e-19 5.583777784682496e-19 5.54000631940224e-19 5.48128654624992e-19 5.402715804765888e-19 5.29719645252e-19 5.154154123814976e-19 4.95769522657248e-19 4.6834666761563525e-19 4.292904081303936e-19 3.718908285136128e-19 ] } }