{ "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" [ [ 0.837566 0 0.854829 ] [ 0.914306 0.5 0.237239 ] [ 0.162434 0 0.145171 ] [ 0.085694 0.5 0.762761 ] [ 0.337566 0.5 0.854829 ] [ 0.414306 0 0.237239 ] [ 0.662434 0.5 0.145171 ] [ 0.585694 0 0.762761 ] [ 0.836386 0 0.539259 ] [ 0.163614 0 0.460741 ] [ 0.336386 0.5 0.539259 ] [ 0.663614 0.5 0.460741 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0.075844 0.5 0.240098 ] [ 0.659257 0.5 0.692366 ] [ 0.924156 0.5 0.759902 ] [ 0.340743 0.5 0.307634 ] [ 0.575844 0 0.240098 ] [ 0.159257 0 0.692366 ] [ 0.424156 0 0.759902 ] [ 0.840743 0 0.307634 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Na" "Na" "Na" "Na" "B" "B" "B" "B" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 20.8395998257 "source-unit" "angstrom" } "b" { "source-value" 5.02098366034 "source-unit" "angstrom" } "c" { "source-value" 12.2285986784 "source-unit" "angstrom" } "beta" { "source-value" 148.907060717 "source-unit" "degree" } }