[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "K" "K" "K" "K" ] } "a" { "source-value" 6.766202425956724 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.766202425956724e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 3.892790314116644 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724814492 "si-unit" "kg / m s^2" "si-value" 3892790314.116644 } "c12" { "source-value" 2.5879791436909625 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636182957 "si-unit" "kg / m s^2" "si-value" 2587979143.690962 } "c44" { "source-value" 2.6468269301311023 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812063496 "si-unit" "kg / m s^2" "si-value" 2646826930.131102 } "excess" { "source-value" 0.029403036931151722 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133113 "si-unit" "kg / m s^2" "si-value" 29403036.93115172 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "K" "K" "K" "K" ] } "a" { "source-value" 6.766202425956724 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.766202425956724e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 3.022916200499523 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578727276 "si-unit" "kg / m s^2" "si-value" 3022916200.499523 } } ]