{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_221" } "basis-atom-coordinates" { "source-value" [ [ 0.10011 0.10011 0.5 ] [ 0.442252 0.688821 0.725995 ] [ 0.688821 0.442252 0.274005 ] [ 0.89989 0 0.166667 ] [ 0.246569 0.557748 0.059329 ] [ 0.311179 0.753431 0.392662 ] [ 0.557748 0.246569 0.940671 ] [ 0.753431 0.311179 0.607338 ] [ 0 0.89989 0.833333 ] ] } "species" { "source-value" [ "S" "S" "S" "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" 8.44086794499 "source-unit" "angstrom" } "c" { "source-value" 4.4033782 "source-unit" "angstrom" } }