{ "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" [ [ 0.151972 0.25 0.75 ] [ 0.848028 0.75 0.25 ] [ 0.283985 0.75 0.050575 ] [ 0.283985 0.75 0.449425 ] [ 0.716015 0.25 0.949425 ] [ 0.716015 0.25 0.550575 ] [ 0.876895 0.25 0.4304 ] [ 0.173664 0.25 0.25 ] [ 0.123105 0.75 0.5696 ] [ 0.123105 0.75 0.9304 ] [ 0.876895 0.25 0.0696 ] [ 0.826336 0.75 0.75 ] [ 0.368702 0.75 0.119346 ] [ 0.631298 0.25 0.880654 ] [ 0.368702 0.75 0.380654 ] [ 0.631298 0.25 0.619346 ] ] } "species" { "source-value" [ "Rb" "Rb" "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" 4.61245142 "source-unit" "angstrom" } "b" { "source-value" 7.36225231 "source-unit" "angstrom" } "c" { "source-value" 16.09482567 "source-unit" "angstrom" } }