[ { "short-name" { "source-value" [ "fcc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 5.57215130329e-10 "source-value" 5.57215130329 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "c44" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 15185281877.7 "source-std-uncert-value" 0.0018339826812267734 "source-value" 15.185281877701344 } "space-group" { "source-value" "Fm-3m" } "excess" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 86985605.9035 "source-std-uncert-value" 0.0025936431809133443 "source-value" 0.08698560590346009 } "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 ] ] } "c12" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 15010975645.6 "source-std-uncert-value" 0.005187286361843879 "source-value" 15.010975645605138 } "c11" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 21128689658.3 "source-std-uncert-value" 0.00733593072484257 "source-value" 21.128689658316482 } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" ] } "instance-id" 1 } { "short-name" { "source-value" [ "fcc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 5.57215130329e-10 "source-value" 5.57215130329 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "isothermal-bulk-modulus" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 17050213649.8 "source-std-uncert-value" 0.004235401578740468 "source-value" 17.050213649842252 } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "space-group" { "source-value" "Fm-3m" } "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 ] ] } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" ] } "instance-id" 2 } ]