{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnca" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0.666195 ] [ 0.25 0 0.333805 ] [ 0.75 0.5 0.166195 ] [ 0.25 0.5 0.833805 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.284836 0.755722 0.082788 ] [ 0.715164 0.255722 0.417212 ] [ 0.215164 0.244278 0.082788 ] [ 0.784836 0.755722 0.917212 ] [ 0.284836 0.744278 0.582788 ] [ 0.715164 0.244278 0.917212 ] [ 0.75 0 0.156074 ] [ 0.215164 0.255722 0.582788 ] [ 0.25 0.5 0.343926 ] [ 0.75 0.5 0.656074 ] [ 0.25 0 0.843926 ] [ 0.784836 0.744278 0.417212 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cr" "Cr" "Cr" "Cr" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.044584 "source-unit" "angstrom" } "b" { "source-value" 8.28795134 "source-unit" "angstrom" } "c" { "source-value" 14.11246604 "source-unit" "angstrom" } }