{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.276245 0 0 ] [ 0.723755 0.723755 0 ] [ 0 0.276245 0 ] [ 0.390602 0.390602 0.5 ] [ 0 0.609398 0.5 ] [ 0.609398 0 0.5 ] [ 0.333333 0.666667 0.5 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0.139582 0.139582 0.5 ] [ 0 0.860418 0.5 ] [ 0.860418 0 0.5 ] [ 0.207148 0.515305 0.5 ] [ 0.308157 0.792852 0.5 ] [ 0.484695 0.691843 0.5 ] [ 0.792852 0.308157 0.5 ] [ 0.691843 0.484695 0.5 ] [ 0.515305 0.207148 0.5 ] [ 0.386605 0.386605 0 ] [ 0 0.613395 0 ] [ 0.613395 0 0 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Ca" "Ca" "Ca" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.27753838 "source-unit" "angstrom" } "c" { "source-value" 4.49551896 "source-unit" "angstrom" } }