[ { "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" 4.032988503575325 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.032988503575325e-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" 82.22813507846554 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724942094 "si-unit" "kg / m s^2" "si-value" 82228135078.46555 } "c12" { "source-value" 60.273525346778946 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618960124 "si-unit" "kg / m s^2" "si-value" 60273525346.77895 } "c44" { "source-value" 63.52274616621793 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813055105 "si-unit" "kg / m s^2" "si-value" 63522746166.21793 } "excess" { "source-value" 0.34735186008983093 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134943 "si-unit" "kg / m s^2" "si-value" 347351860.0898309 } } { "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" 4.032988503575325 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.032988503575325e-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" 67.59172859067448 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578788 "si-unit" "kg / m s^2" "si-value" 67591728590.67448 } } ]