{ "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" [ [ 0.333333 0.666667 0.438343 ] [ 0.666667 0.333333 0.938343 ] [ 0.666667 0.333333 0.561657 ] [ 0.333333 0.666667 0.061657 ] [ 0.657292 0.828646 0.75 ] [ 0.342708 0.171354 0.25 ] [ 0.828646 0.171354 0.25 ] [ 0.171354 0.342708 0.75 ] [ 0.171354 0.828646 0.75 ] [ 0.828646 0.657292 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Re" "Re" "Re" "Re" "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" 5.3116337804 "source-unit" "angstrom" } "c" { "source-value" 8.69180219 "source-unit" "angstrom" } }