[ { "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" 4.175432041287422 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.175432041287422e-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" 1222.482414523099 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307267994575 "si-unit" "kg / m s^2" "si-value" 1222482414523.099 } "c12" { "source-value" 1197.4778902503435 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863632058544 "si-unit" "kg / m s^2" "si-value" 1197477890250.344 } "c44" { "source-value" 61.43292073861941 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813021064 "si-unit" "kg / m s^2" "si-value" 61432920738.61941 } "excess" { "source-value" 2.3205733630983513e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 23205.73363098351 } } { "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" 4.175432041287422 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.175432041287422e-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" 1205.8127316745952 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579858436 "si-unit" "kg / m s^2" "si-value" 1205812731674.595 } } ]