[ { "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 5.457576805353165 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.457576805353165e-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" -1201779.0824265366 "source-unit" "GPa" "source-std-uncert-value" 0.007335932682425724 "si-unit" "kg / m s^2" "si-value" -1201779082426536.0 } "c12" { "source-value" 37.07218004283051 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361869289 "si-unit" "kg / m s^2" "si-value" 37072180042.83051 } "c44" { "source-value" -450682.2148723496 "source-unit" "GPa" "source-std-uncert-value" 0.0018339834153200281 "si-unit" "kg / m s^2" "si-value" -450682214872349.6 } "excess" { "source-value" 82.59298922299196 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318096086 "si-unit" "kg / m s^2" "si-value" 82592989222.99196 } } { "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 5.457576805353165 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.457576805353165e-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" -400568.3126888169 "source-unit" "GPa" "source-std-uncert-value" 0.004235401955491387 "si-unit" "kg / m s^2" "si-value" -400568312688816.9 } } ]