{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.498115 0.996231 0.241387 ] [ 0.501885 0.003769 0.741387 ] [ 0.003769 0.501885 0.241387 ] [ 0.996231 0.498115 0.741387 ] [ 0.498115 0.501885 0.241387 ] [ 0.501885 0.498115 0.741387 ] [ 0 0 0.237261 ] [ 0 0 0.737261 ] [ 0.302699 0.151349 0.359118 ] [ 0.848651 0.697301 0.359118 ] [ 0.848651 0.151349 0.359118 ] [ 0.151349 0.302699 0.859118 ] [ 0.333333 0.666667 0.114868 ] [ 0.151349 0.848651 0.859118 ] [ 0.666667 0.333333 0.614868 ] [ 0.697301 0.848651 0.859118 ] [ 0.333333 0.666667 0.530978 ] [ 0.666667 0.333333 0.030978 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "As" "As" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.88910372291 "source-unit" "angstrom" } "c" { "source-value" 10.69636878 "source-unit" "angstrom" } }