{ "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" [ [ 0.253553 0.253553 0.75 ] [ 0.746447 0.746447 0.25 ] [ 0.333333 0.666667 0.5 ] [ 0.253553 0 0.25 ] [ 0.666667 0.333333 0.5 ] [ 0 0.746447 0.75 ] [ 0.666667 0.333333 0 ] [ 0 0.253553 0.25 ] [ 0.746447 0 0.75 ] [ 0.333333 0.666667 0 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.386423 0 0.75 ] [ 0.613577 0 0.25 ] [ 0.613577 0.613577 0.75 ] [ 0 0.613577 0.25 ] [ 0 0.386423 0.75 ] [ 0.386423 0.386423 0.25 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Cu" "Cu" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.44285769999 "source-unit" "angstrom" } "c" { "source-value" 6.52101009 "source-unit" "angstrom" } }