{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.614141 0.25 ] [ 0 0.385859 0.75 ] [ 0.385859 0 0.75 ] [ 0.385859 0.385859 0.25 ] [ 0.614141 0 0.25 ] [ 0.614141 0.614141 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0 ] [ 0.732465 0 0.75 ] [ 0.333333 0.666667 0.5 ] [ 0.267535 0.267535 0.75 ] [ 0 0.732465 0.75 ] [ 0.267535 0 0.25 ] [ 0.666667 0.333333 0.5 ] [ 0.732465 0.732465 0.25 ] [ 0.333333 0.666667 0 ] [ 0 0.267535 0.25 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "Nb" "Nb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.15934564643 "source-unit" "angstrom" } "c" { "source-value" 6.11011564 "source-unit" "angstrom" } }