[ { "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" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" 4.080000007152559 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.080000007152559e-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" 201.63246111519763 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725136594 "si-unit" "kg / m s^2" "si-value" 201632461115.1976 } "c12" { "source-value" 169.97179446857493 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362022364 "si-unit" "kg / m s^2" "si-value" 169971794468.5749 } "c44" { "source-value" 45.58573230718404 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681276293 "si-unit" "kg / m s^2" "si-value" 45585732307.18404 } "excess" { "source-value" 0.07057557501375451 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913335 "si-unit" "kg / m s^2" "si-value" 70575575.01375452 } } { "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" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" 4.080000007152559 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.080000007152559e-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" 180.52535001744914 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015788942075 "si-unit" "kg / m s^2" "si-value" 180525350017.4491 } } ]