{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.666667 0.333333 0.833333 ] [ 0.333333 0.666667 0.166667 ] [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0.787325 0.865236 0.134248 ] [ 0.077912 0.212675 0.134248 ] [ 0.865236 0.077912 0.865752 ] [ 0.922088 0.787325 0.865752 ] [ 0.212675 0.134764 0.865752 ] [ 0.134764 0.922088 0.134248 ] [ 0.453992 0.19857 0.467582 ] [ 0.744578 0.546008 0.467582 ] [ 0.531903 0.411245 0.199085 ] [ 0.588755 0.120658 0.199085 ] [ 0.879342 0.468097 0.199085 ] [ 0.80143 0.255422 0.467582 ] [ 0.120658 0.531903 0.800915 ] [ 0.411245 0.879342 0.800915 ] [ 0.19857 0.744578 0.532418 ] [ 0.255422 0.453992 0.532418 ] [ 0.546008 0.80143 0.532418 ] [ 0.468097 0.588755 0.800915 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "As" "As" "As" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 7.73396576 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }