{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.222153 0.630904 0.998643 ] [ 0.777847 0.130904 0.501357 ] [ 0.777847 0.369096 0.001357 ] [ 0.222153 0.869096 0.498643 ] [ 0.013703 0.077356 0.275986 ] [ 0.986297 0.577356 0.224014 ] [ 0.986297 0.922644 0.724014 ] [ 0.013703 0.422644 0.775986 ] [ 0.565966 0.326108 0.256836 ] [ 0.434034 0.826108 0.243164 ] [ 0.434034 0.673892 0.743164 ] [ 0.565966 0.173892 0.756836 ] ] } "species" { "source-value" [ "Pd" "Pd" "Pd" "Pd" "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" 7.08815794532 "source-unit" "angstrom" } "b" { "source-value" 8.97733928 "source-unit" "angstrom" } "c" { "source-value" 7.11174205438 "source-unit" "angstrom" } "beta" { "source-value" 104.316282483 "source-unit" "degree" } }