{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.687681 ] [ 0.666667 0.333333 0.312319 ] [ 0 0 0 ] [ 0.844271 0.155729 0.774441 ] [ 0.844271 0.688542 0.774441 ] [ 0.311458 0.155729 0.774441 ] [ 0.155729 0.844271 0.225559 ] [ 0.155729 0.311458 0.225559 ] [ 0.688542 0.844271 0.225559 ] ] } "species" { "source-value" [ "Rb" "Rb" "Hf" "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" 6.22337126572 "source-unit" "angstrom" } "c" { "source-value" 4.9257693 "source-unit" "angstrom" } }