{ "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" [ [ 0.666667 0.333333 0.5 ] [ 0 0.595921 0 ] [ 0.404079 0.404079 0 ] [ 0.595921 0 0 ] [ 0.333333 0.666667 0.5 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0 0.252241 0.745497 ] [ 0 0.252241 0.254503 ] [ 0.747759 0.747759 0.254503 ] [ 0.252241 0 0.745497 ] [ 0.252241 0 0.254503 ] [ 0.747759 0.747759 0.745497 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "B" "B" "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" 6.71464014998 "source-unit" "angstrom" } "c" { "source-value" 5.65222225 "source-unit" "angstrom" } }