{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.204102 0.5 ] [ 0.307236 0 0 ] [ 0.692764 0 0 ] [ 0 0.795898 0.5 ] [ 0.5 0.704102 0.5 ] [ 0.807236 0.5 0 ] [ 0.192764 0.5 0 ] [ 0.5 0.295898 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Pb" "Pb" "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" 10.65787566 "source-unit" "angstrom" } "b" { "source-value" 10.74998838 "source-unit" "angstrom" } "c" { "source-value" 4.76919131 "source-unit" "angstrom" } }