[ { "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" [ "Pm" "Pm" "Pm" "Pm" ] } "a" { "source-value" 5.473546618223197 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.473546618223197e-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" 1204.2844683035316 "source-unit" "GPa" "source-std-uncert-value" 0.007335930726769815 "si-unit" "kg / m s^2" "si-value" 1204284468303.532 } "c12" { "source-value" 687.097296278845 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362617995 "si-unit" "kg / m s^2" "si-value" 687097296278.845 } "c44" { "source-value" 688.5253853205337 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826823235796 "si-unit" "kg / m s^2" "si-value" 688525385320.5337 } "excess" { "source-value" 0.6833038828092781 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809136878 "si-unit" "kg / m s^2" "si-value" 683303882.8092781 } } { "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" [ "Pm" "Pm" "Pm" "Pm" ] } "a" { "source-value" 5.473546618223197 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.473546618223197e-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" 859.4930202870738 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579532742 "si-unit" "kg / m s^2" "si-value" 859493020287.0739 } } ]