{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.831169 0.662338 0.25 ] [ 0.168831 0.831169 0.75 ] [ 0.662338 0.831169 0.75 ] [ 0.337662 0.168831 0.25 ] [ 0.831169 0.168831 0.25 ] [ 0.168831 0.337662 0.75 ] [ 0.333333 0.666667 0.061799 ] [ 0.666667 0.333333 0.561799 ] [ 0.666667 0.333333 0.938201 ] [ 0.333333 0.666667 0.438201 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Re" "Re" "Re" "Re" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.37678295991 "source-unit" "angstrom" } "c" { "source-value" 7.15653651 "source-unit" "angstrom" } }