[ { "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" 4.146581932902336 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.146581932902336e-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" 691.9694599782965 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725935305 "si-unit" "kg / m s^2" "si-value" 691969459978.2965 } "c12" { "source-value" 730.7717855786155 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362668298 "si-unit" "kg / m s^2" "si-value" 730771785578.6156 } "c44" { "source-value" 87.43824715934454 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813444664 "si-unit" "kg / m s^2" "si-value" 87438247159.34454 } "excess" { "source-value" 1.5639785762766333e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 15639.78576276633 } } { "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" 4.146581932902336 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.146581932902336e-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" 717.837677045176 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579399522 "si-unit" "kg / m s^2" "si-value" 717837677045.1759 } } ]