{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.166719 ] [ 0.666667 0.333333 0.666719 ] [ 0.666667 0.333333 0.333222 ] [ 0.333333 0.666667 0.833222 ] [ 0 0 0.499985 ] [ 0 0 0.999985 ] [ 0.333333 0.666667 0.04184 ] [ 0.666667 0.333333 0.54184 ] [ 0.666667 0.333333 0.208354 ] [ 0.333333 0.666667 0.708354 ] [ 0 0 0.37488 ] [ 0 0 0.87488 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.85298081 "source-unit" "angstrom" } "c" { "source-value" 18.90376084 "source-unit" "angstrom" } }