{ "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" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.536514 0.278749 0.669752 ] [ 0.963486 0.778749 0.830248 ] [ 0.463486 0.721251 0.330248 ] [ 0.036514 0.221251 0.169752 ] [ 0.382975 0.375744 0.815018 ] [ 0.117025 0.875744 0.684982 ] [ 0.617025 0.624256 0.184982 ] [ 0.882975 0.124256 0.315018 ] [ 0.195959 0.313105 0.02578 ] [ 0.304041 0.813105 0.47422 ] [ 0.715866 0.221463 0.053806 ] [ 0.784134 0.721463 0.446194 ] [ 0.284134 0.778537 0.946194 ] [ 0.215866 0.278537 0.553806 ] [ 0.347729 0.214656 0.281452 ] [ 0.152271 0.714656 0.218548 ] [ 0.652271 0.785344 0.718548 ] [ 0.847729 0.285344 0.781452 ] [ 0.695959 0.186895 0.52578 ] [ 0.804041 0.686895 0.97422 ] ] } "species" { "source-value" [ "Zn" "Zn" "Au" "Au" "Au" "Au" "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" 5.63970748763 "source-unit" "angstrom" } "b" { "source-value" 5.77367261 "source-unit" "angstrom" } "c" { "source-value" 10.6325590345 "source-unit" "angstrom" } "beta" { "source-value" 100.137960051 "source-unit" "degree" } }