{ "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" [ [ 0.331203 0 0.295726 ] [ 0.668797 0 0.704274 ] [ 0 0 0.5 ] [ 0.831203 0.5 0.295726 ] [ 0.168797 0.5 0.704274 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.944357 0.746979 0.320867 ] [ 0.055643 0.253021 0.679133 ] [ 0.214648 0 0.441986 ] [ 0.055643 0.746979 0.679133 ] [ 0.785352 0 0.558014 ] [ 0.769097 0 0.904409 ] [ 0.944357 0.253021 0.320867 ] [ 0.230903 0 0.095591 ] [ 0.444357 0.246979 0.320867 ] [ 0.555643 0.753021 0.679133 ] [ 0.714648 0.5 0.441986 ] [ 0.555643 0.246979 0.679133 ] [ 0.285352 0.5 0.558014 ] [ 0.269097 0.5 0.904409 ] [ 0.444357 0.753021 0.320867 ] [ 0.730903 0.5 0.095591 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Au" "Au" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.66327337439 "source-unit" "angstrom" } "b" { "source-value" 5.57603930021 "source-unit" "angstrom" } "c" { "source-value" 7.88123151951 "source-unit" "angstrom" } "beta" { "source-value" 99.3613006486 "source-unit" "degree" } }