[ { "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" 4.045353233814239 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.045353233814239e-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" 104.31292515221388 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724978066 "si-unit" "kg / m s^2" "si-value" 104312925152.2139 } "c12" { "source-value" 58.33074241284309 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361893775 "si-unit" "kg / m s^2" "si-value" 58330742412.84309 } "c44" { "source-value" 29.584823725954248 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812502288 "si-unit" "kg / m s^2" "si-value" 29584823725.95425 } "excess" { "source-value" 0.008759794223324999 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913299 "si-unit" "kg / m s^2" "si-value" 8759794.223325 } } { "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" 4.045353233814239 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.045353233814239e-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" 73.65813665930001 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578793704 "si-unit" "kg / m s^2" "si-value" 73658136659.30002 } } ]