{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.234149 0.495649 0.223746 ] [ 0.234149 0.004351 0.223746 ] [ 0.765851 0.504351 0.776254 ] [ 0.765851 0.995649 0.776254 ] [ 0.772996 0.75 0.358685 ] [ 0.227004 0.25 0.641315 ] [ 0.709132 0.25 0.418897 ] [ 0.290868 0.75 0.581103 ] [ 0.73119 0.75 0.06719 ] [ 0.26881 0.25 0.93281 ] [ 0.292242 0.25 0.068668 ] [ 0.950987 0.75 0.135795 ] [ 0.535084 0.75 0.155536 ] [ 0.796868 0.066641 0.339803 ] [ 0.796868 0.433359 0.339803 ] [ 0.18204 0.75 0.420688 ] [ 0.41642 0.25 0.428207 ] [ 0.58358 0.75 0.571793 ] [ 0.81796 0.25 0.579312 ] [ 0.203132 0.566641 0.660197 ] [ 0.203132 0.933359 0.660197 ] [ 0.464916 0.25 0.844464 ] [ 0.049013 0.25 0.864205 ] [ 0.707758 0.75 0.931332 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Tm" "Tm" "P" "P" "C" "C" "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" 5.33283509 "source-unit" "angstrom" } "b" { "source-value" 6.93622562 "source-unit" "angstrom" } "c" { "source-value" 9.19329931 "source-unit" "angstrom" } "beta" { "source-value" 91.06886759 "source-unit" "degree" } }