{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.380631 ] [ 0.666667 0.333333 0.619369 ] [ 0 0 0 ] [ 0.666667 0.333333 0.069426 ] [ 0.333333 0.666667 0.930574 ] [ 0.889964 0.226486 0.221815 ] [ 0.336522 0.110036 0.221815 ] [ 0.773514 0.663478 0.221815 ] [ 0.110036 0.773514 0.778185 ] [ 0.663478 0.889964 0.778185 ] [ 0.226486 0.336522 0.778185 ] ] } "species" { "source-value" [ "Tl" "Tl" "Sn" "As" "As" "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" 6.76597598064 "source-unit" "angstrom" } "c" { "source-value" 7.49110677 "source-unit" "angstrom" } }