{ "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" [ [ 0.666667 0.333333 0.35486 ] [ 0.333333 0.666667 0.85486 ] [ 0.666667 0.333333 0.020765 ] [ 0.333333 0.666667 0.64514 ] [ 0.333333 0.666667 0.979235 ] [ 0 0 0.686902 ] [ 0.666667 0.333333 0.479235 ] [ 0.333333 0.666667 0.520765 ] [ 0 0 0.313098 ] [ 0.666667 0.333333 0.14514 ] [ 0 0 0.813098 ] [ 0 0 0.186902 ] ] } "species" { "source-value" [ "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "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" 2.52225183989 "source-unit" "angstrom" } "c" { "source-value" 12.43392738 "source-unit" "angstrom" } }