{ "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" [ [ 0.216053 0.251582 0.907182 ] [ 0.477184 0.510973 0.728909 ] [ 0.216053 0.248418 0.407182 ] [ 0.522816 0.010973 0.771091 ] [ 0.477184 0.989027 0.228909 ] [ 0.783947 0.751582 0.592818 ] [ 0.522816 0.489027 0.271091 ] [ 0.783947 0.748418 0.092818 ] [ 0.130652 0.733122 0.931186 ] [ 0.130652 0.766878 0.431186 ] [ 0.869348 0.233122 0.568814 ] [ 0.869348 0.266878 0.068814 ] [ 0.254698 0.923539 0.914274 ] [ 0.235395 0.571761 0.86687 ] [ 0.225068 0.800186 0.594106 ] [ 0.189931 0.243679 0.645105 ] [ 0.254698 0.576461 0.414274 ] [ 0.235395 0.928239 0.36687 ] [ 0.810069 0.743679 0.854895 ] [ 0.774932 0.300186 0.905894 ] [ 0.225068 0.699814 0.094106 ] [ 0.189931 0.256321 0.145105 ] [ 0.764605 0.071761 0.63313 ] [ 0.745302 0.423539 0.585726 ] [ 0.810069 0.756321 0.354895 ] [ 0.774932 0.199814 0.405894 ] [ 0.764605 0.428239 0.13313 ] [ 0.745302 0.076461 0.085726 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "W" "W" "W" "W" "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" 6.35505893 "source-unit" "angstrom" } "b" { "source-value" 8.24063367 "source-unit" "angstrom" } "c" { "source-value" 12.17732474 "source-unit" "angstrom" } "beta" { "source-value" 116.0058004 "source-unit" "degree" } }