{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.048861 ] [ 0.666667 0.333333 0.951139 ] [ 0.666667 0.333333 0.279634 ] [ 0.333333 0.666667 0.720366 ] [ 0.847269 0.152731 0.770321 ] [ 0.847269 0.694538 0.770321 ] [ 0.305462 0.152731 0.770321 ] [ 0.694538 0.847269 0.229679 ] [ 0.152731 0.305462 0.229679 ] [ 0.152731 0.847269 0.229679 ] [ 0.666667 0.333333 0.452628 ] [ 0.333333 0.666667 0.547372 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.97515433232 "source-unit" "angstrom" } "c" { "source-value" 8.35554307 "source-unit" "angstrom" } }