{ "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" [ [ 0.549089 0.75 0.114649 ] [ 0.450911 0.25 0.885351 ] [ 0.486756 0.75 0.399321 ] [ 0.513244 0.25 0.600679 ] [ 0.187857 0.75 0.720679 ] [ 0.812143 0.25 0.279321 ] [ 0.829631 0.75 0.781618 ] [ 0.170369 0.25 0.218382 ] [ 0.123958 0.75 0.429872 ] [ 0.876042 0.25 0.570128 ] [ 0.188923 0.75 0.02049 ] [ 0.811077 0.25 0.97951 ] [ 0.367398 0.75 0.531416 ] [ 0.632602 0.25 0.468584 ] [ 0.318742 0.75 0.181398 ] [ 0.681258 0.25 0.818602 ] [ 0.951247 0.75 0.924286 ] [ 0.048753 0.25 0.075714 ] [ 0.710182 0.75 0.631096 ] [ 0.289818 0.25 0.368904 ] [ 0.00737 0.75 0.268229 ] [ 0.99263 0.25 0.731771 ] [ 0.637594 0.75 0.281853 ] [ 0.362406 0.25 0.718147 ] [ 0.947926 0.25 0.424802 ] [ 0.052074 0.75 0.575198 ] [ 0.731238 0.25 0.126955 ] [ 0.268762 0.75 0.873045 ] [ 0.384711 0.25 0.032722 ] [ 0.615289 0.75 0.967278 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "S" "S" "S" "S" "S" "S" "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" 10.15995695 "source-unit" "angstrom" } "b" { "source-value" 4.01428142 "source-unit" "angstrom" } "c" { "source-value" 17.60158648 "source-unit" "angstrom" } "beta" { "source-value" 98.61127621 "source-unit" "degree" } }