{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-43m" } "basis-atom-coordinates" { "source-value" [ [ 0.121188 0.121188 0.121188 ] [ 0.878812 0.121188 0.878812 ] [ 0.878812 0.878812 0.121188 ] [ 0.121188 0.878812 0.878812 ] [ 0.809804 0.465791 0.190196 ] [ 0.465791 0.809804 0.190196 ] [ 0.809804 0.534209 0.809804 ] [ 0.534209 0.809804 0.809804 ] [ 0.190196 0.809804 0.465791 ] [ 0.809804 0.190196 0.465791 ] [ 0.534209 0.190196 0.190196 ] [ 0.465791 0.190196 0.809804 ] [ 0.190196 0.465791 0.809804 ] [ 0.190196 0.534209 0.190196 ] [ 0.809804 0.809804 0.534209 ] [ 0.190196 0.190196 0.534209 ] [ 0.325268 0.674732 0.674732 ] [ 0.64427 0 0 ] [ 0 0 0.35573 ] [ 0 0 0.64427 ] [ 0 0.64427 0 ] [ 0 0.35573 0 ] [ 0.855021 0.5 0.5 ] [ 0.144979 0.5 0.5 ] [ 0.5 0.5 0.855021 ] [ 0.5 0.5 0.144979 ] [ 0.35573 0 0 ] [ 0.5 0.855021 0.5 ] [ 0.316331 0.316331 0.030153 ] [ 0.683669 0.030153 0.683669 ] [ 0.683669 0.969847 0.316331 ] [ 0.969847 0.683669 0.316331 ] [ 0.030153 0.683669 0.683669 ] [ 0.316331 0.683669 0.969847 ] [ 0.683669 0.316331 0.969847 ] [ 0.030153 0.316331 0.316331 ] [ 0.316331 0.030153 0.316331 ] [ 0.969847 0.316331 0.683669 ] [ 0.316331 0.969847 0.683669 ] [ 0.683669 0.683669 0.030153 ] [ 0.674732 0.674732 0.325268 ] [ 0.674732 0.325268 0.674732 ] [ 0.325268 0.325268 0.325268 ] [ 0.83067 0.16933 0.16933 ] [ 0.16933 0.16933 0.83067 ] [ 0.16933 0.83067 0.16933 ] [ 0.83067 0.83067 0.83067 ] [ 0.606082 0.393918 0.393918 ] [ 0.393918 0.393918 0.606082 ] [ 0.393918 0.606082 0.393918 ] [ 0.606082 0.606082 0.606082 ] [ 0.5 0.144979 0.5 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.70146223 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 129.36567580926965 "source-unit" "GPa" "source-std-uncert-value" 0.000742883811625461 } }