{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6c2" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.5 ] [ 0.666667 0.333333 0 ] [ 0.209405 0.9334 0.25 ] [ 0.209405 0.276005 0.75 ] [ 0.723995 0.9334 0.75 ] [ 0.0666 0.790595 0.75 ] [ 0.0666 0.276005 0.25 ] [ 0.723995 0.790595 0.25 ] [ 0.333333 0.666667 0.5 ] [ 0.333333 0.666667 0 ] [ 0.087461 0.674699 0.619581 ] [ 0.587238 0.912539 0.619581 ] [ 0.325301 0.412762 0.619581 ] [ 0.325301 0.912539 0.380419 ] [ 0.24006 0.18367 0.25 ] [ 0.943611 0.75994 0.25 ] [ 0.81633 0.056389 0.25 ] [ 0.81633 0.75994 0.75 ] [ 0.943611 0.18367 0.75 ] [ 0.24006 0.056389 0.75 ] [ 0.325301 0.912539 0.119581 ] [ 0.587238 0.674699 0.380419 ] [ 0.087461 0.412762 0.380419 ] [ 0.087461 0.412762 0.119581 ] [ 0.587238 0.674699 0.119581 ] [ 0.087461 0.674699 0.880419 ] [ 0.587238 0.912539 0.880419 ] [ 0.325301 0.412762 0.880419 ] ] } "species" { "source-value" [ "Rb" "Rb" "Be" "Be" "Be" "Be" "Be" "Be" "Zn" "Zn" "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" 6.78528333813 "source-unit" "angstrom" } "c" { "source-value" 9.81390134 "source-unit" "angstrom" } }