[ { "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" 5.474051356315613 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.474051356315613e-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" 128.1549331805155 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725016904 "si-unit" "kg / m s^2" "si-value" 128154933180.5155 } "c12" { "source-value" 75.37552556219161 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361913408 "si-unit" "kg / m s^2" "si-value" 75375525562.1916 } "c44" { "source-value" 70.56958138238552 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813169892 "si-unit" "kg / m s^2" "si-value" 70569581382.38553 } "excess" { "source-value" 0.13798731801631645 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133738 "si-unit" "kg / m s^2" "si-value" 137987318.0163164 } } { "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" 5.474051356315613 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.474051356315613e-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" 92.96866143496625 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578811865 "si-unit" "kg / m s^2" "si-value" 92968661434.96625 } } ]