[ { "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" [ "Ac" "Ac" ] } "a" { "source-value" 4.7329460978508 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.7329460978508e-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" 383.917476046576 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725433517 "si-unit" "kg / m s^2" "si-value" 383917476046.576 } "c12" { "source-value" 468.7440024594346 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362366492 "si-unit" "kg / m s^2" "si-value" 468744002459.4346 } "c44" { "source-value" 469.26085807699906 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681966419 "si-unit" "kg / m s^2" "si-value" 469260858076.9991 } "excess" { "source-value" 0.2516967461119734 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134393 "si-unit" "kg / m s^2" "si-value" 251696746.1119734 } } { "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" [ "Ac" "Ac" ] } "a" { "source-value" 4.7329460978508 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.7329460978508e-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" 440.46849365514845 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579138671 "si-unit" "kg / m s^2" "si-value" 440468493655.1484 } } ]