[ { "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" 3.695751249790192 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.695751249790192e-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" 2956.597432392094 "source-unit" "GPa" "source-std-uncert-value" 0.007335930729624165 "si-unit" "kg / m s^2" "si-value" 2956597432392.094 } "c12" { "source-value" 3490.043803836506 "source-unit" "GPa" "source-std-uncert-value" 0.005187286365846453 "si-unit" "kg / m s^2" "si-value" 3490043803836.506 } "c44" { "source-value" 80.82129156167169 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681333688 "si-unit" "kg / m s^2" "si-value" 80821291561.67169 } "excess" { "source-value" 0.00013010052294743963 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 130100.5229474396 } } { "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" 3.695751249790192 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.695751249790192e-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" 3312.228346688368 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015818394115 "si-unit" "kg / m s^2" "si-value" 3312228346688.368 } } ]