[ { "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" 2.8169555217027673 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.816955521702767e-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" -81.73501390138824 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724941291 "si-unit" "kg / m s^2" "si-value" -81735013901.38824 } "c12" { "source-value" 112.33644393906759 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636195598 "si-unit" "kg / m s^2" "si-value" 112336443939.0676 } "c44" { "source-value" 40.55643692258753 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812681006 "si-unit" "kg / m s^2" "si-value" 40556436922.58753 } "excess" { "source-value" 0.13689888940981312 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133733 "si-unit" "kg / m s^2" "si-value" 136898889.4098131 } } { "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" 2.8169555217027673 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.816955521702767e-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" 47.64595799224898 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578820487 "si-unit" "kg / m s^2" "si-value" 47645957992.24898 } } ]