[ { "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" 4.146581918001175 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.146581918001175e-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" 738.8199118453748 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072601162 "si-unit" "kg / m s^2" "si-value" 738819911845.3748 } "c12" { "source-value" 780.2493873590128 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863627252875 "si-unit" "kg / m s^2" "si-value" 780249387359.0128 } "c44" { "source-value" 93.35833700450678 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813541097 "si-unit" "kg / m s^2" "si-value" 93358337004.50677 } "excess" { "source-value" 1.6734465665046978e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 16734.46566504698 } } { "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" 4.146581918001175 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.146581918001175e-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" 766.4395621878 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579445229 "si-unit" "kg / m s^2" "si-value" 766439562187.8 } } ]