{ "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" [ [ 0.012687 0.755025 0.502784 ] [ 0.012687 0.244975 0.002784 ] [ 0.50148 0.913369 0.500256 ] [ 0.50148 0.086631 0.000256 ] [ 0.512687 0.255025 0.502784 ] [ 0.512687 0.744975 0.002784 ] [ 0.00148 0.413369 0.500256 ] [ 0.00148 0.586631 0.000256 ] [ 0.029395 0.084683 0.523981 ] [ 0.029395 0.915317 0.023981 ] [ 0.529395 0.584683 0.523981 ] [ 0.529395 0.415317 0.023981 ] [ 0.387292 0.915015 0.123157 ] [ 0.387292 0.084985 0.623157 ] [ 0.891221 0.242203 0.627299 ] [ 0.891221 0.757797 0.127299 ] [ 0.890024 0.078993 0.144023 ] [ 0.890024 0.921007 0.644023 ] [ 0.887292 0.415015 0.123157 ] [ 0.887292 0.584985 0.623157 ] [ 0.391221 0.742203 0.627299 ] [ 0.391221 0.257797 0.127299 ] [ 0.390024 0.578993 0.144023 ] [ 0.390024 0.421007 0.644023 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Si" "Si" "Si" "Si" "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" 6.73595237147 "source-unit" "angstrom" } "b" { "source-value" 11.827311923 "source-unit" "angstrom" } "c" { "source-value" 6.75522641625 "source-unit" "angstrom" } "beta" { "source-value" 108.574639625 "source-unit" "degree" } }