[ { "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" [ "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" 4.840916037559509 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.840916037559509e-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" 71.25748284440105 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724924223 "si-unit" "kg / m s^2" "si-value" 71257482844.40105 } "c12" { "source-value" 40.65553039024124 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361873417 "si-unit" "kg / m s^2" "si-value" 40655530390.24124 } "c44" { "source-value" 40.7400305773295 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812683998 "si-unit" "kg / m s^2" "si-value" 40740030577.3295 } "excess" { "source-value" 0.04043107221241906 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913318 "si-unit" "kg / m s^2" "si-value" 40431072.21241906 } } { "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" [ "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" 4.840916037559509 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.840916037559509e-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" 50.856181208294515 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578772261 "si-unit" "kg / m s^2" "si-value" 50856181208.29452 } } ]