{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.302716 0.534808 0.492722 ] [ 0.697284 0.034808 0.507278 ] [ 0.187679 0.252356 0.016194 ] [ 0.812321 0.752356 0.983806 ] [ 0.310137 0.835466 0.181318 ] [ 0.194251 0.050972 0.314165 ] [ 0.805749 0.550972 0.685835 ] [ 0.689863 0.335466 0.818682 ] [ 0.342302 0.949903 0.986501 ] [ 0.94512 0.12844 0.188475 ] [ 0.134672 0.951879 0.4963 ] [ 0.865328 0.451879 0.5037 ] [ 0.40766 0.237099 0.29999 ] [ 0.05488 0.62844 0.811525 ] [ 0.091188 0.643945 0.173028 ] [ 0.56788 0.741834 0.269133 ] [ 0.908812 0.143945 0.826972 ] [ 0.43212 0.241834 0.730867 ] [ 0.657698 0.449903 0.013499 ] [ 0.59234 0.737099 0.70001 ] ] } "species" { "source-value" [ "Na" "Na" "Sb" "Sb" "P" "P" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.64295211586 "source-unit" "angstrom" } "b" { "source-value" 7.70283993 "source-unit" "angstrom" } "c" { "source-value" 9.60378430438 "source-unit" "angstrom" } "beta" { "source-value" 93.3880787273 "source-unit" "degree" } }