[ { "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 3.633761629462242 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.633761629462242e-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" 178.30234825611197 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307250985915 "si-unit" "kg / m s^2" "si-value" 178302348256.112 } "c12" { "source-value" 125.69983530736715 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361971371 "si-unit" "kg / m s^2" "si-value" 125699835307.3672 } "c44" { "source-value" 86.1198394191784 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681342319 "si-unit" "kg / m s^2" "si-value" 86119839419.1784 } "excess" { "source-value" 0.032714693768798125 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913313 "si-unit" "kg / m s^2" "si-value" 32714693.76879812 } } { "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 3.633761629462242 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.633761629462242e-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" 143.23400629028208 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015788591375 "si-unit" "kg / m s^2" "si-value" 143234006290.2821 } } ]