[ { "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 5.555679887533188 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.555679887533188e-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" 357.6938148502584 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307253908 "si-unit" "kg / m s^2" "si-value" 357693814850.2584 } "c12" { "source-value" 326.7602344952545 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863622029535 "si-unit" "kg / m s^2" "si-value" 326760234495.2545 } "c44" { "source-value" -1161477.597509531 "source-unit" "GPa" "source-std-uncert-value" 0.001833984573137356 "si-unit" "kg / m s^2" "si-value" -1161477597509531.0 } "excess" { "source-value" 193928.3431469192 "source-unit" "GPa" "source-std-uncert-value" 0.0025936432925975214 "si-unit" "kg / m s^2" "si-value" 193928343146919.2 } } { "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 5.555679887533188 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.555679887533188e-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" 337.0714279469224 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157904143 "si-unit" "kg / m s^2" "si-value" 337071427946.9224 } } ]