{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.865504 0.246989 0.619647 ] [ 0.865504 0.753011 0.119647 ] [ 0.880005 0.082228 0.119596 ] [ 0.880005 0.917772 0.619596 ] [ 0.365504 0.746989 0.619647 ] [ 0.365504 0.253011 0.119647 ] [ 0.380005 0.582228 0.119596 ] [ 0.380005 0.417772 0.619596 ] [ 0.357348 0.908972 0.102733 ] [ 0.357348 0.091028 0.602733 ] [ 0.857348 0.408972 0.102733 ] [ 0.857348 0.591028 0.602733 ] [ 0.009504 0.593808 0.004819 ] [ 0.001967 0.761718 0.481462 ] [ 0.966673 0.915863 0.981743 ] [ 0.009504 0.406192 0.504819 ] [ 0.966673 0.084137 0.481743 ] [ 0.001967 0.238282 0.981462 ] [ 0.509504 0.093808 0.004819 ] [ 0.501967 0.261718 0.481462 ] [ 0.466673 0.415863 0.981743 ] [ 0.509504 0.906192 0.504819 ] [ 0.466673 0.584137 0.481743 ] [ 0.501967 0.738282 0.981462 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "Sn" "Sn" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.05680705752 "source-unit" "angstrom" } "b" { "source-value" 12.2179560292 "source-unit" "angstrom" } "c" { "source-value" 7.09560384485 "source-unit" "angstrom" } "beta" { "source-value" 109.665632953 "source-unit" "degree" } }