[ { "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" [ "Zn" "Zn" ] } "a" { "source-value" 3.1586045324802403 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.158604532480241e-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" 304.7235483860216 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725304518 "si-unit" "kg / m s^2" "si-value" 304723548386.0216 } "c12" { "source-value" 330.11575805012257 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362206819 "si-unit" "kg / m s^2" "si-value" 330115758050.1226 } "c44" { "source-value" 115.91178149445584 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813908472 "si-unit" "kg / m s^2" "si-value" 115911781494.4558 } "excess" { "source-value" 0.02791175586954986 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133105 "si-unit" "kg / m s^2" "si-value" 27911755.86954986 } } { "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" [ "Zn" "Zn" ] } "a" { "source-value" 3.1586045324802403 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.158604532480241e-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" 321.65168816208893 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015790269295 "si-unit" "kg / m s^2" "si-value" 321651688162.0889 } } ]