{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.635435 0.25 ] [ 0 0.864565 0.75 ] [ 0 0.135435 0.25 ] [ 0.5 0.364565 0.75 ] [ 0 0.5 0.5 ] [ 0.75 0.75 0 ] [ 0.5 0 0 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0.5 ] [ 0.25 0.25 0 ] [ 0 0.5 0 ] [ 0.75 0.25 0.5 ] [ 0.612207 0.834213 0.146687 ] [ 0.746855 0.581789 0.271093 ] [ 0.387793 0.834213 0.353313 ] [ 0.746855 0.418211 0.771093 ] [ 0 0.832696 0.25 ] [ 0.5 0.667304 0.75 ] [ 0.753145 0.081789 0.228907 ] [ 0.112207 0.665787 0.646687 ] [ 0.753145 0.918211 0.728907 ] [ 0.887793 0.665787 0.853313 ] [ 0.112207 0.334213 0.146687 ] [ 0.246855 0.081789 0.271093 ] [ 0.887793 0.334213 0.353313 ] [ 0.246855 0.918211 0.771093 ] [ 0.5 0.332696 0.25 ] [ 0 0.167304 0.75 ] [ 0.253145 0.581789 0.228907 ] [ 0.612207 0.165787 0.646687 ] [ 0.253145 0.418211 0.728907 ] [ 0.387793 0.165787 0.853313 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.60485212 "source-unit" "angstrom" } "b" { "source-value" 10.28959663 "source-unit" "angstrom" } "c" { "source-value" 6.19663334 "source-unit" "angstrom" } "beta" { "source-value" 121.58563571 "source-unit" "degree" } }