{ "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 0 0.5 ] [ 0.694788 0 0.538569 ] [ 0.305212 0 0.461431 ] [ 0.882506 0.5 0.004275 ] [ 0.117494 0.5 0.995725 ] [ 0.5 0.5 0.5 ] [ 0.194788 0.5 0.538569 ] [ 0.805212 0.5 0.461431 ] [ 0.382506 0 0.004275 ] [ 0.617494 0 0.995725 ] [ 0 0 0 ] [ 0.017363 0 0.759416 ] [ 0.982637 0 0.240584 ] [ 0.33709 0 0.228138 ] [ 0.66291 0 0.771862 ] [ 0.5 0.5 0 ] [ 0.517363 0.5 0.759416 ] [ 0.482637 0.5 0.240584 ] [ 0.83709 0.5 0.228138 ] [ 0.16291 0.5 0.771862 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.0788059473 "source-unit" "angstrom" } "b" { "source-value" 4.09576981022 "source-unit" "angstrom" } "c" { "source-value" 9.9005335964 "source-unit" "angstrom" } "beta" { "source-value" 145.045183404 "source-unit" "degree" } }