{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.028184 0.698978 0.787635 ] [ 0.528184 0.801022 0.212365 ] [ 0.971816 0.198978 0.712365 ] [ 0.471816 0.301022 0.287635 ] [ 0.244633 0.5299 0.864061 ] [ 0.744633 0.9701 0.135939 ] [ 0.755367 0.0299 0.635939 ] [ 0.255367 0.4701 0.364061 ] [ 0.236011 0.296289 0.130998 ] [ 0.736011 0.203711 0.869002 ] [ 0.763989 0.796289 0.369002 ] [ 0.263989 0.703711 0.630998 ] [ 0.242114 0.142842 0.3746 ] [ 0.742114 0.357158 0.6254 ] [ 0.757886 0.642842 0.1254 ] [ 0.257886 0.857158 0.8746 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.65275849 "source-unit" "angstrom" } "b" { "source-value" 10.22727256 "source-unit" "angstrom" } "c" { "source-value" 12.23253066 "source-unit" "angstrom" } }