{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.817967 0.75 0.25 ] [ 0.182033 0.25 0.75 ] [ 0.719085 0.25 0.538258 ] [ 0.280915 0.75 0.461742 ] [ 0.280915 0.75 0.038258 ] [ 0.719085 0.25 0.961742 ] [ 0.906699 0.25 0.074791 ] [ 0.247186 0.25 0.25 ] [ 0.906699 0.25 0.425209 ] [ 0.752814 0.75 0.75 ] [ 0.093301 0.75 0.925209 ] [ 0.093301 0.75 0.574791 ] [ 0.37277 0.75 0.104113 ] [ 0.37277 0.75 0.395887 ] [ 0.62723 0.25 0.895887 ] [ 0.62723 0.25 0.604113 ] ] } "species" { "source-value" [ "Cs" "Cs" "C" "C" "C" "C" "I" "I" "I" "I" "I" "I" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.62675046 "source-unit" "angstrom" } "b" { "source-value" 6.79609195 "source-unit" "angstrom" } "c" { "source-value" 16.57050395 "source-unit" "angstrom" } }