[ { "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" 2.850997865200043 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.850997865200043e-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" 212.88385215657445 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725154919 "si-unit" "kg / m s^2" "si-value" 212883852156.5745 } "c12" { "source-value" 143.30822634122677 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361991652 "si-unit" "kg / m s^2" "si-value" 143308226341.2268 } "c44" { "source-value" 118.59374471407598 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681395216 "si-unit" "kg / m s^2" "si-value" 118593744714.076 } "excess" { "source-value" 9.47390314347009e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 9.473903143470089 } } { "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" 2.850997865200043 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.850997865200043e-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" 166.50010161300932 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015788810175 "si-unit" "kg / m s^2" "si-value" 166500101613.0093 } } ]