[ { "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 3.560000121593475 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.560000121593475e-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" 190.35191121538185 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725118217 "si-unit" "kg / m s^2" "si-value" 190351911215.3818 } "c12" { "source-value" 159.2984690492349 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863620100705 "si-unit" "kg / m s^2" "si-value" 159298469049.2349 } "c44" { "source-value" 76.89663235989657 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813272954 "si-unit" "kg / m s^2" "si-value" 76896632359.89658 } "excess" { "source-value" 0.008820914813395623 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913299 "si-unit" "kg / m s^2" "si-value" 8820914.813395623 } } { "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 3.560000121593475 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.560000121593475e-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" 169.64961643795056 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015788839796 "si-unit" "kg / m s^2" "si-value" 169649616437.9506 } } ]