[ { "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" [ "Er" "Er" "Er" "Er" ] } "a" { "source-value" 5.1984938979148865 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.198493897914886e-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" 320.3946192748333 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307253300435 "si-unit" "kg / m s^2" "si-value" 320394619274.8333 } "c12" { "source-value" 182.79923256222477 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362037138 "si-unit" "kg / m s^2" "si-value" 182799232562.2248 } "c44" { "source-value" 183.1791706170201 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826815004195 "si-unit" "kg / m s^2" "si-value" 183179170617.0201 } "excess" { "source-value" 0.1817899951314125 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913399 "si-unit" "kg / m s^2" "si-value" 181789995.1314125 } } { "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" [ "Er" "Er" "Er" "Er" ] } "a" { "source-value" 5.1984938979148865 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.198493897914886e-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" 228.66436146642764 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015789394794 "si-unit" "kg / m s^2" "si-value" 228664361466.4276 } } ]