[ { "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" 5.343571051955228 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.343571051955229e-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" -1359111.745160689 "source-unit" "GPa" "source-std-uncert-value" 0.007335932938738692 "si-unit" "kg / m s^2" "si-value" -1359111745160689.0 } "c12" { "source-value" 74.29757745127078 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361912166 "si-unit" "kg / m s^2" "si-value" 74297577451.27078 } "c44" { "source-value" -509676.47657019546 "source-unit" "GPa" "source-std-uncert-value" 0.0018339835114160076 "si-unit" "kg / m s^2" "si-value" -509676476570195.4 } "excess" { "source-value" 1257.9483571417504 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431816377527 "si-unit" "kg / m s^2" "si-value" 1257948357141.75 } } { "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" 5.343571051955228 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.343571051955229e-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" -452987.71666859556 "source-unit" "GPa" "source-std-uncert-value" 0.004235402004842189 "si-unit" "kg / m s^2" "si-value" -452987716668595.6 } } ]