[ { "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" 4.05616620182991 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.05616620182991e-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" 196.48790380230298 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725128214 "si-unit" "kg / m s^2" "si-value" 196487903802.303 } "c12" { "source-value" 162.525815041465 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362013786 "si-unit" "kg / m s^2" "si-value" 162525815041.465 } "c44" { "source-value" 47.02137132921742 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812786312 "si-unit" "kg / m s^2" "si-value" 47021371329.21742 } "excess" { "source-value" 0.02078689324373768 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913306 "si-unit" "kg / m s^2" "si-value" 20786893.24373768 } } { "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" 4.05616620182991 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.05616620182991e-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" 173.84651129507762 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578887926 "si-unit" "kg / m s^2" "si-value" 173846511295.0776 } } ]