[ { "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" 4.128871455788613 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.128871455788614e-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" 128.22492314574637 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725017019 "si-unit" "kg / m s^2" "si-value" 128224923145.7464 } "c12" { "source-value" 86.49454294901216 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361926214 "si-unit" "kg / m s^2" "si-value" 86494542949.01216 } "c44" { "source-value" 27.595732090404272 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681246989 "si-unit" "kg / m s^2" "si-value" 27595732090.40427 } "excess" { "source-value" 0.1326608950099539 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133707 "si-unit" "kg / m s^2" "si-value" 132660895.0099539 } } { "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" 4.128871455788613 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.128871455788614e-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" 100.4046696812569 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578818858 "si-unit" "kg / m s^2" "si-value" 100404669681.2569 } } ]