[ { "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" [ "Ac" "Ac" "Ac" "Ac" "Ac" "Ac" "Ac" "Ac" ] } "a" { "source-value" 9.562093979120252 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.562093979120253e-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" -996450.935311213 "source-unit" "GPa" "source-std-uncert-value" 0.007335932348005279 "si-unit" "kg / m s^2" "si-value" -996450935311213.0 } "c12" { "source-value" 55.74351845998792 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361903038 "si-unit" "kg / m s^2" "si-value" 55743518459.98792 } "c44" { "source-value" -373663.20291550475 "source-unit" "GPa" "source-std-uncert-value" 0.0018339832898634637 "si-unit" "kg / m s^2" "si-value" -373663202915504.8 } "excess" { "source-value" 61485.22354883916 "source-unit" "GPa" "source-std-uncert-value" 0.002593643216322913 "si-unit" "kg / m s^2" "si-value" 61485223548839.16 } } { "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" [ "Ac" "Ac" "Ac" "Ac" "Ac" "Ac" "Ac" "Ac" ] } "a" { "source-value" 9.562093979120252 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.562093979120253e-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" -332113.1494247643 "source-unit" "GPa" "source-std-uncert-value" 0.004235401891150502 "si-unit" "kg / m s^2" "si-value" -332113149424764.3 } } ]