[ { "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" 4.149619489908219 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.14961948990822e-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" 180.907879691164 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725102833 "si-unit" "kg / m s^2" "si-value" 180907879691.164 } "c12" { "source-value" 160.21672359600552 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362011129 "si-unit" "kg / m s^2" "si-value" 160216723596.0055 } "c44" { "source-value" 56.09695140452856 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812934145 "si-unit" "kg / m s^2" "si-value" 56096951404.52856 } "excess" { "source-value" 4.440892098501605e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 4.440892098501605 } } { "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" 4.149619489908219 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.14961948990822e-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" 167.113775627725 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578881595 "si-unit" "kg / m s^2" "si-value" 167113775627.725 } } ]