{ "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" [ [ 0.2449 0.090132 0.200713 ] [ 0.23707 0.774929 0.492846 ] [ 0.2449 0.409868 0.700713 ] [ 0.7551 0.909868 0.799287 ] [ 0.76293 0.274929 0.007154 ] [ 0.23707 0.725071 0.992846 ] [ 0.7551 0.590132 0.299287 ] [ 0.76293 0.225071 0.507154 ] [ 0.238098 0.421387 0.22369 ] [ 0.761902 0.921387 0.27631 ] [ 0.238098 0.078613 0.72369 ] [ 0.761902 0.578613 0.77631 ] [ 0.276774 0.962788 0.761119 ] [ 0.642382 0.862101 0.374444 ] [ 0.723226 0.462788 0.738881 ] [ 0.922573 0.865524 0.214386 ] [ 0.922573 0.634476 0.714386 ] [ 0.077427 0.365524 0.285614 ] [ 0.276774 0.537212 0.261119 ] [ 0.642382 0.637899 0.874444 ] [ 0.077427 0.134476 0.785614 ] [ 0.357618 0.137899 0.625556 ] [ 0.357618 0.362101 0.125556 ] [ 0.723226 0.037212 0.238881 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "C" "C" "C" "C" "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" 6.26776567791 "source-unit" "angstrom" } "b" { "source-value" 10.88515231 "source-unit" "angstrom" } "c" { "source-value" 7.98769937608 "source-unit" "angstrom" } "beta" { "source-value" 95.549984234 "source-unit" "degree" } }