[ { "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" 2.868830233812332 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.868830233812332e-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" 182.56895719308133 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725105541 "si-unit" "kg / m s^2" "si-value" 182568957193.0813 } "c12" { "source-value" 166.1407151481253 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863620179505 "si-unit" "kg / m s^2" "si-value" 166140715148.1253 } "c44" { "source-value" 166.72373192594375 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681473615 "si-unit" "kg / m s^2" "si-value" 166723731925.9438 } "excess" { "source-value" 0.2909317551314602 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134622 "si-unit" "kg / m s^2" "si-value" 290931755.1314602 } } { "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" 2.868830233812332 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.868830233812332e-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" 171.61679582977732 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157888583 "si-unit" "kg / m s^2" "si-value" 171616795829.7773 } } ]