{ "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" [ "Be" "Be" "Be" "Be" ] } "a" { "source-value" [ 4.9444 4.613108 4.407786 4.258609 4.141373 4.044785 3.962648 3.891196 3.827966 3.77126 3.719857 3.672848 3.629542 3.589397 3.551984 3.516954 3.484021 3.452949 3.423538 3.39562 3.369051 3.343705 3.319477 3.29627 3.280472 3.263844 3.246297 3.22772 3.207987 3.186944 3.164405 3.140139 3.113861 3.085206 3.053702 3.018718 2.97939 2.934482 2.882146 2.819429 2.741166 2.63702 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.9444e-10 4.613108000000001e-10 4.4077859999999997e-10 4.258609e-10 4.141373e-10 4.044785e-10 3.962648e-10 3.891196e-10 3.827966e-10 3.77126e-10 3.7198570000000005e-10 3.6728480000000003e-10 3.629542e-10 3.589397e-10 3.5519840000000003e-10 3.516954e-10 3.484021e-10 3.452949e-10 3.4235380000000003e-10 3.3956200000000003e-10 3.3690509999999997e-10 3.343705e-10 3.319477e-10 3.29627e-10 3.280472e-10 3.263844e-10 3.2462970000000005e-10 3.2277200000000003e-10 3.207987e-10 3.186944e-10 3.164405e-10 3.1401390000000004e-10 3.113861e-10 3.085206e-10 3.053702e-10 3.0187179999999997e-10 2.97939e-10 2.934482e-10 2.882146e-10 2.819429e-10 2.7411660000000003e-10 2.6370200000000005e-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" [ 6.68416 58.2796 230.881 634.378 1419.19 2786.6 4984.95 8240.63 12512.5 16853.7 18773.9 17767.2 17208.7 17406.1 17407.6 17408.4 17408.8 17409 17409.2 17409.3 17409.3 17409.4 17409.4 17409.4 17409.4 17409.4 17409.4 17409.3 17409.3 17409.3 17409.3 17409.2 17409.2 17409.1 17409 17409 17408.8 17408.7 17408.5 17408.1 17407.6 17406.8 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.070920488168653e-18 9.33742125895757e-18 3.699121403869248e-17 1.0163856003498625e-16 2.273793038473152e-16 4.46462537152128e-16 7.98677034585696e-16 1.3202944726663104e-15 2.004723496776e-15 2.7002604113976964e-15 3.0079103661237126e-15 2.846619245707776e-15 2.757137681436096e-15 2.788764647930688e-15 2.7890049744238078e-15 2.7891331485534723e-15 2.789197235618304e-15 2.78922927915072e-15 2.7892613226831365e-15 2.789277344449344e-15 2.789277344449344e-15 2.7892933662155524e-15 2.7892933662155524e-15 2.7892933662155524e-15 2.7892933662155524e-15 2.7892933662155524e-15 2.7892933662155524e-15 2.789277344449344e-15 2.789277344449344e-15 2.789277344449344e-15 2.789277344449344e-15 2.7892613226831365e-15 2.7892613226831365e-15 2.789245300916928e-15 2.78922927915072e-15 2.78922927915072e-15 2.789197235618304e-15 2.7891812138520964e-15 2.78914917031968e-15 2.789085083254848e-15 2.7890049744238078e-15 2.788876800294144e-15 ] } }