[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" 2.865948021411896 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.865948021411896e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 231.00675073159846 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307251844395 "si-unit" "kg / m s^2" "si-value" 231006750731.5984 } "c12" { "source-value" 136.51540026596527 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619838285 "si-unit" "kg / m s^2" "si-value" 136515400265.9653 } "c44" { "source-value" 117.34948785312442 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813931893 "si-unit" "kg / m s^2" "si-value" 117349487853.1244 } "excess" { "source-value" 0.05625636741632725 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913327 "si-unit" "kg / m s^2" "si-value" 56256367.41632725 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" 2.865948021411896 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.865948021411896e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 168.01251708784298 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157888244 "si-unit" "kg / m s^2" "si-value" 168012517087.843 } } ]