{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-31m" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0.5 ] [ 0 0 0.350431 ] [ 0 0 0.649569 ] [ 0 0.644511 0.732143 ] [ 0.355489 0.355489 0.732143 ] [ 0.644511 0 0.732143 ] [ 0.644511 0.644511 0.267857 ] [ 0 0.355489 0.267857 ] [ 0.355489 0 0.267857 ] ] } "species" { "source-value" [ "Al" "Al" "Si" "Si" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.91280258079 "source-unit" "angstrom" } "c" { "source-value" 7.68409134 "source-unit" "angstrom" } }