{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.5 ] [ 0 0 0.65659 ] [ 0 0 0.34341 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.146246 ] [ 0.333333 0.666667 0.853754 ] [ 0.666667 0.333333 0.853754 ] [ 0.333333 0.666667 0.146246 ] [ 0 0.481172 0.274803 ] [ 0.481172 0 0.725197 ] [ 0.481172 0 0.274803 ] [ 0 0.481467 0 ] [ 0.518828 0.518828 0.725197 ] [ 0 0.481172 0.725197 ] [ 0.518533 0.518533 0 ] [ 0.481467 0 0 ] [ 0.518828 0.518828 0.274803 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "In" "B" "B" "B" "B" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.64561987299 "source-unit" "angstrom" } "c" { "source-value" 10.41326273 "source-unit" "angstrom" } }