{ "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" [ [ 0.951879 0.5 0.298527 ] [ 0.048121 0.5 0.701473 ] [ 0.451879 0 0.298527 ] [ 0.548121 0 0.701473 ] [ 0.886146 0 0.032459 ] [ 0.113854 0 0.967541 ] [ 0.703826 0.5 0.606292 ] [ 0.296174 0.5 0.393708 ] [ 0.386146 0.5 0.032459 ] [ 0.613854 0.5 0.967541 ] [ 0.203826 0 0.606292 ] [ 0.796174 0 0.393708 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.15723364072 "source-unit" "angstrom" } "b" { "source-value" 3.33115059237 "source-unit" "angstrom" } "c" { "source-value" 8.65581844339 "source-unit" "angstrom" } "beta" { "source-value" 128.288543632 "source-unit" "degree" } }