{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.501794 0.779793 0.124542 ] [ 0.498206 0.279793 0.375458 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.501794 0.720207 0.624542 ] [ 0.498206 0.220207 0.875458 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.119279 0.339084 0.025894 ] [ 0.119279 0.160916 0.525894 ] [ 0.880721 0.660916 0.974106 ] [ 0.880721 0.839084 0.474106 ] [ 0.823798 0.05647 0.61201 ] [ 0.176202 0.55647 0.88799 ] [ 0.176202 0.94353 0.38799 ] [ 0.823798 0.44353 0.11201 ] [ 0.17938 0.549618 0.202837 ] [ 0.82062 0.049618 0.297163 ] [ 0.82062 0.450382 0.797163 ] [ 0.17938 0.950382 0.702837 ] [ 0.715771 0.408447 0.184176 ] [ 0.284229 0.908447 0.315824 ] [ 0.284229 0.591553 0.815824 ] [ 0.715771 0.091553 0.684176 ] [ 0.199111 0.260352 0.545218 ] [ 0.199111 0.239648 0.045218 ] [ 0.800889 0.739648 0.454782 ] [ 0.800889 0.760352 0.954782 ] [ 0.290525 0.578497 0.331429 ] [ 0.709475 0.078497 0.168571 ] [ 0.709475 0.421503 0.668571 ] [ 0.290525 0.921503 0.831429 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Co" "Co" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.14759421769 "source-unit" "angstrom" } "b" { "source-value" 10.48832283 "source-unit" "angstrom" } "c" { "source-value" 8.43398467419 "source-unit" "angstrom" } "beta" { "source-value" 107.394791871 "source-unit" "degree" } }