{ "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" [ [ 0.992883 0.5 0.767092 ] [ 0.007117 0.5 0.232908 ] [ 0.843828 0 0.251742 ] [ 0.156172 0 0.748258 ] [ 0.492883 0 0.767092 ] [ 0.507117 0 0.232908 ] [ 0.343828 0.5 0.251742 ] [ 0.656172 0.5 0.748258 ] [ 0.823878 0 0.771058 ] [ 0.176122 0 0.228942 ] [ 0.323878 0.5 0.771058 ] [ 0.676122 0.5 0.228942 ] [ 0.857161 0.236394 0.922283 ] [ 0.142839 0.236394 0.077717 ] [ 0.142839 0.763606 0.077717 ] [ 0.857161 0.763606 0.922283 ] [ 0.088252 0 0.363706 ] [ 0.911748 0 0.636294 ] [ 0.165786 0.5 0.612167 ] [ 0.834214 0.5 0.387833 ] [ 0.357161 0.736394 0.922283 ] [ 0.642839 0.736394 0.077717 ] [ 0.642839 0.263606 0.077717 ] [ 0.357161 0.263606 0.922283 ] [ 0.588252 0.5 0.363706 ] [ 0.411748 0.5 0.636294 ] [ 0.665786 0 0.612167 ] [ 0.334214 0 0.387833 ] ] } "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" 12.6099677098 "source-unit" "angstrom" } "b" { "source-value" 6.29049412 "source-unit" "angstrom" } "c" { "source-value" 7.6978439864 "source-unit" "angstrom" } "beta" { "source-value" 116.173151271 "source-unit" "degree" } }