{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.811128 0 0.520663 ] [ 0.812251 0 0.030297 ] [ 0.812372 0.5 0.779412 ] [ 0.688872 0.5 0.479337 ] [ 0.934032 0.5 0.578817 ] [ 0.687749 0.5 0.969703 ] [ 0.065968 0.5 0.421183 ] [ 0.934364 0 0.320148 ] [ 0.940128 0.5 0.082673 ] [ 0.687628 0 0.220588 ] [ 0.059872 0.5 0.917327 ] [ 0.065636 0 0.679852 ] [ 0.311128 0.5 0.520663 ] [ 0.312251 0.5 0.030297 ] [ 0.312372 0 0.779412 ] [ 0.188872 0 0.479337 ] [ 0.434032 0 0.578817 ] [ 0.187749 0 0.969703 ] [ 0.565968 0 0.421183 ] [ 0.434364 0.5 0.320148 ] [ 0.440128 0 0.082673 ] [ 0.187628 0.5 0.220588 ] [ 0.559872 0 0.917327 ] [ 0.565636 0.5 0.679852 ] [ 0.926808 0 0.820707 ] [ 0.804892 0.5 0.272494 ] [ 0.695108 0 0.727506 ] [ 0.073192 0 0.179293 ] [ 0.426808 0.5 0.820707 ] [ 0.304892 0 0.272494 ] [ 0.195108 0.5 0.727506 ] [ 0.573192 0.5 0.179293 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 16.4643914803 "source-unit" "angstrom" } "b" { "source-value" 3.60930042549 "source-unit" "angstrom" } "c" { "source-value" 8.40519405787 "source-unit" "angstrom" } "beta" { "source-value" 101.978268049 "source-unit" "degree" } }