{ "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" [ [ 0.359126 0 0.5 ] [ 0.640874 0.640874 0.5 ] [ 0 0.359126 0.5 ] [ 0.694251 0 0 ] [ 0.305749 0.305749 0 ] [ 0 0.694251 0 ] [ 0.666667 0.333333 0.808137 ] [ 0.666667 0.333333 0.191863 ] [ 0.333333 0.666667 0.191863 ] [ 0.333333 0.666667 0.808137 ] [ 0 0 0.313126 ] [ 0 0 0.686874 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.10038537 "source-unit" "angstrom" } "c" { "source-value" 6.05051662 "source-unit" "angstrom" } }