{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Au" "Au" ] } "a" { "source-value" [ 4.95897 4.626701 4.420773 4.271156 4.153575 4.056702 3.974323 3.90266 3.839244 3.782371 3.730816 3.683669 3.640235 3.599972 3.562448 3.527314 3.494284 3.463121 3.433623 3.405623 3.378975 3.353555 3.329255 3.30598 3.290135 3.273458 3.255859 3.237228 3.217436 3.196331 3.173725 3.149387 3.123031 3.094292 3.062695 3.027607 2.988162 2.943122 2.890631 2.827729 2.749234 2.64478 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.95897e-10 4.626701e-10 4.4207729999999995e-10 4.2711560000000007e-10 4.1535750000000003e-10 4.0567019999999997e-10 3.974323e-10 3.90266e-10 3.839244e-10 3.782371e-10 3.730816e-10 3.6836690000000004e-10 3.6402350000000003e-10 3.5999720000000004e-10 3.562448e-10 3.527314e-10 3.494284e-10 3.463121e-10 3.433623e-10 3.405623e-10 3.378975e-10 3.3535550000000003e-10 3.329255e-10 3.30598e-10 3.290135e-10 3.273458e-10 3.255859e-10 3.237228e-10 3.2174360000000003e-10 3.196331e-10 3.1737250000000003e-10 3.149387e-10 3.123031e-10 3.094292e-10 3.062695e-10 3.027607e-10 2.988162e-10 2.9431219999999997e-10 2.890631e-10 2.8277290000000004e-10 2.749234e-10 2.64478e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.417472 0.704298 0.961785 1.19501 1.40545 1.59529 1.76768 1.92511 2.06926 2.20104 2.32097 2.42952 2.52711 2.6142 2.69125 2.75874 2.81709 2.86671 2.90796 2.94114 2.96654 2.98441 2.99498 2.99846 2.99675 2.9911 2.98053 2.9638 2.93932 2.90496 2.85793 2.79441 2.70913 2.59462 2.43999 2.22883 1.93541 1.51729 0.899783 -0.0602157 -1.67236 -4.7407 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.688638782386176e-20 1.1284097896761985e-19 1.5409494412361282e-19 1.914617083622208e-19 2.2517791317033604e-19 2.5559363413960325e-19 2.832135569055744e-19 3.0843662344682885e-19 3.315319994356608e-19 3.526454829445632e-19 3.7186038715781763e-19 3.8925201437660164e-19 4.048876560189888e-19 4.18841012209536e-19 4.3118578307280003e-19 4.419988730865793e-19 4.5134757366894725e-19 4.5929757406135685e-19 4.659065526221569e-19 4.712225746499712e-19 4.752921032668033e-19 4.781551928881729e-19 4.798486935763584e-19 4.804062510403969e-19 4.8013227883824e-19 4.79227049047488e-19 4.775335483593024e-19 4.7485310687270405e-19 4.709309785049857e-19 4.654258996359168e-19 4.578908629882945e-19 4.477138370929728e-19 4.340504748707905e-19 4.157039503860096e-19 3.909294932985792e-19 3.570979317737664e-19 3.100868653662528e-19 2.4309665649736324e-19 1.4416112863932864e-19 -9.647618674510656e-21 -2.679416093561088e-19 -7.595438706226561e-19 ] } }