{ "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" [ 8.49102 7.92209 7.56949 7.313308 7.111979 6.946107 6.805054 6.682349 6.573764 6.476382 6.388107 6.307379 6.233009 6.164069 6.099819 6.039661 5.983105 5.929745 5.879238 5.831294 5.785666 5.742141 5.700533 5.66068 5.620391 5.578872 5.536047 5.491831 5.44613 5.398841 5.34985 5.29903 5.246238 5.191316 5.134084 5.074339 5.011851 4.946356 4.877549 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.491020000000001e-10 7.92209e-10 7.56949e-10 7.313308e-10 7.111979e-10 6.946107e-10 6.805054e-10 6.682349000000001e-10 6.573763999999999e-10 6.476382e-10 6.388107e-10 6.307379e-10 6.233009e-10 6.164069e-10 6.099819e-10 6.039661e-10 5.983105e-10 5.929745e-10 5.879238e-10 5.831294e-10 5.785666000000001e-10 5.742141e-10 5.700533e-10 5.660680000000001e-10 5.620391e-10 5.578872e-10 5.536047e-10 5.491831e-10 5.446130000000001e-10 5.398841000000001e-10 5.34985e-10 5.29903e-10 5.246238e-10 5.191315999999999e-10 5.134084e-10 5.074339000000001e-10 5.011851e-10 4.946356e-10 4.877549e-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" [ 0.573255 0.750018 0.893476 1.07655 1.23268 1.37478 1.52412 1.65553 1.75441 1.84256 1.92837 2.01476 2.10106 2.18495 2.26449 2.34035 2.41366 2.48513 2.55546 2.62168 2.67738 2.71813 2.74199 2.74953 2.74209 2.71938 2.68012 2.62272 2.54687 2.45327 2.34134 2.19762 1.99859 1.71805 1.30654 0.682002 -0.215682 -1.41306 -2.87849 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.184557663236699e-20 1.2016613146794119e-19 1.431506370239784e-19 1.7248232553326996e-19 1.9749710931991197e-19 2.20264039289052e-19 2.4419094514120796e-19 2.6524514828860197e-19 2.8108747084559397e-19 2.9521065787430396e-19 3.0895893557065795e-19 3.2280013951178397e-19 3.3662692386320396e-19 3.5006758364583003e-19 3.6281129659266595e-19 3.7496540853818997e-19 3.86710965442044e-19 3.9816172184524193e-19 4.09429830112164e-19 4.2003944378251197e-19 4.2896356763389195e-19 4.35492437417442e-19 4.3931523086616595e-19 4.40523272048202e-19 4.39331252632506e-19 4.35692709496692e-19 4.2940256403160797e-19 4.20206070152448e-19 4.08053560383558e-19 3.9305718708931793e-19 3.75124024024956e-19 3.52097541441108e-19 3.20209419894606e-19 2.7526195660436997e-19 2.09330785938636e-19 1.092687668741268e-19 -3.45560660774388e-20 -2.26397171444004e-19 -4.61184941920266e-19 ] } }