{ "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" [ [ 0.5 0.831184 0 ] [ 0.5 0.168816 0 ] [ 0 0.331184 0 ] [ 0 0.668816 0 ] [ 0.051233 0 0.155007 ] [ 0.948767 0 0.844993 ] [ 0.551233 0.5 0.155007 ] [ 0.448767 0.5 0.844993 ] [ 0.242033 0.167389 0.222926 ] [ 0.757967 0.167389 0.777074 ] [ 0.262721 0 0.778222 ] [ 0.737279 0 0.221778 ] [ 0.757967 0.832611 0.777074 ] [ 0.242033 0.832611 0.222926 ] [ 0.742033 0.667389 0.222926 ] [ 0.257967 0.667389 0.777074 ] [ 0.762721 0.5 0.778222 ] [ 0.237279 0.5 0.221778 ] [ 0.257967 0.332611 0.777074 ] [ 0.742033 0.332611 0.222926 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "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" 5.91204352314 "source-unit" "angstrom" } "b" { "source-value" 10.2866371579 "source-unit" "angstrom" } "c" { "source-value" 7.35376304168 "source-unit" "angstrom" } "beta" { "source-value" 105.57876676 "source-unit" "degree" } }