[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" ] } "a" { "source-value" 3.72083654999733 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.72083654999733e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" -8627063.678389138 "source-unit" "GPa" "source-std-uncert-value" 0.007335944777656785 "si-unit" "kg / m s^2" "si-value" -8627063678389138.0 } "c12" { "source-value" 13.0712946972266 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362074497 "si-unit" "kg / m s^2" "si-value" 13071294697.2266 } "c44" { "source-value" -3235185.418879883 "source-unit" "GPa" "source-std-uncert-value" 0.0018339879510079885 "si-unit" "kg / m s^2" "si-value" -3235185418879883.0 } "excess" { "source-value" 94.00816330113135 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180967434 "si-unit" "kg / m s^2" "si-value" 94008163301.13135 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" ] } "a" { "source-value" 3.72083654999733 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.72083654999733e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" -2875679.1785999145 "source-unit" "GPa" "source-std-uncert-value" 0.004235404283333084 "si-unit" "kg / m s^2" "si-value" -2875679178599914.0 } } ]