[ { "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" [ "O" "O" ] } "a" { "source-value" 2.388721741735935 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.388721741735935e-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" 112.2073354584203 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724990927 "si-unit" "kg / m s^2" "si-value" 112207335458.4203 } "c12" { "source-value" 112.42754657975821 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361956084 "si-unit" "kg / m s^2" "si-value" 112427546579.7582 } "c44" { "source-value" -78.26783923601498 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813295287 "si-unit" "kg / m s^2" "si-value" -78267839236.01498 } "excess" { "source-value" 1.8532582875730278e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 18532.58287573028 } } { "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" [ "O" "O" ] } "a" { "source-value" 2.388721741735935 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.388721741735935e-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" 112.35414287264558 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015788300965 "si-unit" "kg / m s^2" "si-value" 112354142872.6456 } } ]