[ { "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" 3.661654435098171 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.661654435098171e-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" 218.47542958579973 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725164029 "si-unit" "kg / m s^2" "si-value" 218475429585.7997 } "c12" { "source-value" 101.88647523181628 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361943943 "si-unit" "kg / m s^2" "si-value" 101886475231.8163 } "c44" { "source-value" 90.86236455030523 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813500442 "si-unit" "kg / m s^2" "si-value" 90862364550.30524 } "excess" { "source-value" 1.3880008253866763e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 13880.00825386676 } } { "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" 3.661654435098171 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.661654435098171e-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" 140.74946001647743 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578856801 "si-unit" "kg / m s^2" "si-value" 140749460016.4774 } } ]