{ "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 0 0 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0.5 ] [ 0.405892 0 0 ] [ 0.594108 0.594108 0 ] [ 0 0.405892 0 ] [ 0 0.7408 0.5 ] [ 0.2592 0.2592 0.5 ] [ 0.7408 0 0.5 ] ] } "species" { "source-value" [ "U" "U" "U" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.69213493 "source-unit" "angstrom" } "c" { "source-value" 4.08009203 "source-unit" "angstrom" } }