[ { "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 3.592786550521851 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.592786550521851e-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" 172.9498373676726 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725089871 "si-unit" "kg / m s^2" "si-value" 172949837367.6726 } "c12" { "source-value" 115.68942566304173 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361959841 "si-unit" "kg / m s^2" "si-value" 115689425663.0417 } "c44" { "source-value" 89.88021391689064 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681348444 "si-unit" "kg / m s^2" "si-value" 89880213916.89064 } "excess" { "source-value" 0.07476441451124305 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133373 "si-unit" "kg / m s^2" "si-value" 74764414.51124305 } } { "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 3.592786550521851 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.592786550521851e-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" 134.77622956458532 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578851183 "si-unit" "kg / m s^2" "si-value" 134776229564.5853 } } ]