{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P31c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.819712 ] [ 0 0 0.319712 ] [ 0.333333 0.666667 0.506766 ] [ 0.666667 0.333333 0.006766 ] [ 0.333333 0.666667 0.116944 ] [ 0.666667 0.333333 0.616944 ] [ 0.940229 0.600778 0.561985 ] [ 0.600778 0.940229 0.061985 ] [ 0.660549 0.059771 0.561985 ] [ 0.399222 0.339451 0.561985 ] [ 0.333333 0.666667 0.286122 ] [ 0.666667 0.333333 0.786122 ] [ 0.339451 0.399222 0.061985 ] [ 0.059771 0.660549 0.061985 ] ] } "species" { "source-value" [ "K" "K" "Li" "Li" "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" 5.21389078 "source-unit" "angstrom" } "c" { "source-value" 8.81269994 "source-unit" "angstrom" } }