[ { "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" [ "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 6.660548239946366 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.660548239946367e-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" 95.79935901392132 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307249642 "si-unit" "kg / m s^2" "si-value" 95799359013.92133 } "c12" { "source-value" 71.44871378170863 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361908883 "si-unit" "kg / m s^2" "si-value" 71448713781.70863 } "c44" { "source-value" 21.434959292192804 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812369536 "si-unit" "kg / m s^2" "si-value" 21434959292.1928 } "excess" { "source-value" 1.5496863052062893e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 15496.86305206289 } } { "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" [ "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 6.660548239946366 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.660548239946367e-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" 79.56559552577951 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157879926 "si-unit" "kg / m s^2" "si-value" 79565595525.77951 } } ]