{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_322" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.998701 ] [ 0 0 0 ] [ 0.666667 0.333333 0.001299 ] [ 0.333333 0.666667 0.501299 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.498701 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.666888 0.667785 0.393153 ] [ 0.667785 0.666888 0.606847 ] [ 0.999103 0.666888 0.893153 ] [ 0.667785 0.000897 0.893153 ] [ 0.666888 0.999103 0.106847 ] [ 0.332215 0.999103 0.393153 ] [ 0.999103 0.332215 0.606847 ] [ 0.333112 0.000897 0.606847 ] [ 0.000897 0.667785 0.106847 ] [ 0.333112 0.332215 0.893153 ] [ 0.000897 0.333112 0.393153 ] [ 0.332215 0.333112 0.106847 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Sn" "Sn" "S" "S" "S" "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" 5.85052456554 "source-unit" "angstrom" } "c" { "source-value" 14.61038441 "source-unit" "angstrom" } }