{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ima2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.618438 0.5 ] [ 0 0.618438 0 ] [ 0.5 0.118438 0 ] [ 0.5 0.118438 0.5 ] [ 0.003785 0.109852 0.25 ] [ 0.996215 0.109852 0.75 ] [ 0.503785 0.609852 0.75 ] [ 0.496215 0.609852 0.25 ] [ 0.85223 0.978927 0.75 ] [ 0.14777 0.978927 0.25 ] [ 0.360424 0.737782 0.75 ] [ 0.639576 0.737782 0.25 ] [ 0.35223 0.478927 0.25 ] [ 0.64777 0.478927 0.75 ] [ 0.860424 0.237782 0.25 ] [ 0.139576 0.237782 0.75 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "H" "H" "H" "H" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.90885992 "source-unit" "angstrom" } "b" { "source-value" 5.99701318 "source-unit" "angstrom" } "c" { "source-value" 7.39145976 "source-unit" "angstrom" } }