[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 3.5192944586277033 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.519294458627703e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "c11" { "source-value" 246.84005859167485 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725210231 "si-unit" "kg / m s^2" "si-value" 246840058591.6748 } "c12" { "source-value" 147.06593492404275 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361995981 "si-unit" "kg / m s^2" "si-value" 147065934924.0428 } "c44" { "source-value" 124.98352915134733 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814056243 "si-unit" "kg / m s^2" "si-value" 124983529151.3473 } "excess" { "source-value" 0.019752079971628776 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133057 "si-unit" "kg / m s^2" "si-value" 19752079.97162878 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 3.5192944586277033 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.519294458627703e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "isothermal-bulk-modulus" { "source-value" 180.3239761465868 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578894018 "si-unit" "kg / m s^2" "si-value" 180323976146.5868 } } ]