[ { "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" [ "Ce" "Ce" "Ce" "Ce" ] } "a" { "source-value" 5.611072969436653 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.611072969436653e-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" 886.3797422527437 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072625198 "si-unit" "kg / m s^2" "si-value" 886379742252.7437 } "c12" { "source-value" 505.7186577619818 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863624090795 "si-unit" "kg / m s^2" "si-value" 505718657761.9818 } "c44" { "source-value" 506.7697657108097 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826820275174 "si-unit" "kg / m s^2" "si-value" 506769765710.8097 } "excess" { "source-value" 0.5029265797893051 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809135837 "si-unit" "kg / m s^2" "si-value" 502926579.7893051 } } { "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" [ "Ce" "Ce" "Ce" "Ce" ] } "a" { "source-value" 5.611072969436653 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.611072969436653e-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" 632.6056859255691 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579319365 "si-unit" "kg / m s^2" "si-value" 632605685925.5691 } } ]