[ { "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" 3.589836478233337 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.589836478233337e-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" 172.73329509851973 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725089518 "si-unit" "kg / m s^2" "si-value" 172733295098.5197 } "c12" { "source-value" 115.43948731095274 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361959554 "si-unit" "kg / m s^2" "si-value" 115439487310.9527 } "c44" { "source-value" 90.07892258833384 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681348768 "si-unit" "kg / m s^2" "si-value" 90078922588.33383 } "excess" { "source-value" 0.07891272065428093 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091334 "si-unit" "kg / m s^2" "si-value" 78912720.65428093 } } { "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" 3.589836478233337 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.589836478233337e-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" 134.53742324014172 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578850958 "si-unit" "kg / m s^2" "si-value" 134537423240.1417 } } ]