{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.308097 0.374033 ] [ 0.5 0.808097 0.125967 ] [ 0.5 0.191903 0.874033 ] [ 0 0.691903 0.625967 ] ] } "species" { "source-value" [ "Pd" "Pd" "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" 3.9003401 "source-unit" "angstrom" } "b" { "source-value" 7.08819826 "source-unit" "angstrom" } "c" { "source-value" 9.00843612 "source-unit" "angstrom" } }