[ { "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" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 4.030821621418 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.030821621418e-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" -52.061928024956785 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724892956 "si-unit" "kg / m s^2" "si-value" -52061928024.95679 } "c12" { "source-value" 220.20066545048772 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863620802175 "si-unit" "kg / m s^2" "si-value" 220200665450.4877 } "c44" { "source-value" 96.10145700913348 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813585781 "si-unit" "kg / m s^2" "si-value" 96101457009.13348 } "excess" { "source-value" 0.04576563276497405 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133204 "si-unit" "kg / m s^2" "si-value" 45765632.76497405 } } { "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" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 4.030821621418 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.030821621418e-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" 129.44646762533955 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578878811 "si-unit" "kg / m s^2" "si-value" 129446467625.3396 } } ]