{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P31c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.497139 ] [ 0 0 0.997139 ] [ 0.666667 0.333333 0.680324 ] [ 0.333333 0.666667 0.180324 ] [ 0.333333 0.666667 0.791331 ] [ 0.666667 0.333333 0.291331 ] [ 0.611237 0.962206 0.734202 ] [ 0.037794 0.649031 0.734202 ] [ 0.350969 0.388763 0.734202 ] [ 0.962206 0.611237 0.234202 ] [ 0.666667 0.333333 0.470002 ] [ 0.333333 0.666667 0.970002 ] [ 0.388763 0.350969 0.234202 ] [ 0.649031 0.037794 0.234202 ] ] } "species" { "source-value" [ "Rb" "Rb" "Li" "Li" "Cr" "Cr" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.49776660014 "source-unit" "angstrom" } "c" { "source-value" 9.33317425 "source-unit" "angstrom" } }