[ { "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" 4.049763545393944 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.049763545393944e-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" 90.14708115986134 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724954994 "si-unit" "kg / m s^2" "si-value" 90147081159.86134 } "c12" { "source-value" 70.72567647212834 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361908051 "si-unit" "kg / m s^2" "si-value" 70725676472.12834 } "c44" { "source-value" 33.15718508246255 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812560482 "si-unit" "kg / m s^2" "si-value" 33157185082.46255 } "excess" { "source-value" 0.03639842397855703 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133152 "si-unit" "kg / m s^2" "si-value" 36398423.97855704 } } { "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" 4.049763545393944 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.049763545393944e-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" 77.199478034706 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578797034 "si-unit" "kg / m s^2" "si-value" 77199478034.70601 } } ]