[ { "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" 5.343571132421499 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.3435711324215e-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" -1371543.3042413117 "source-unit" "GPa" "source-std-uncert-value" 0.007335932958988507 "si-unit" "kg / m s^2" "si-value" -1371543304241312.0 } "c12" { "source-value" 76.56983017502749 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361914783 "si-unit" "kg / m s^2" "si-value" 76569830175.0275 } "c44" { "source-value" -514337.2507537268 "source-unit" "GPa" "source-std-uncert-value" 0.0018339835190079607 "si-unit" "kg / m s^2" "si-value" -514337250753726.8 } "excess" { "source-value" 1861.3592818707032 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431819852594 "si-unit" "kg / m s^2" "si-value" 1861359281870.703 } } { "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" 5.343571132421499 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.3435711324215e-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" -457130.0548603205 "source-unit" "GPa" "source-std-uncert-value" 0.004235402008740693 "si-unit" "kg / m s^2" "si-value" -457130054860320.5 } } ]