{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0 0.5 0.75 ] [ 0.25 0 0.5 ] [ 0.75 0 0.5 ] [ 0.5 0.75 0 ] [ 0.5 0.25 0 ] [ 0 0.5 0.25 ] [ 0.5 0 0.75 ] [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0 0.75 0.5 ] [ 0 0.25 0.5 ] [ 0.5 0 0.25 ] [ 0.866076 0.866076 0.866076 ] [ 0.366076 0.633924 0.366076 ] [ 0.633924 0.366076 0.366076 ] [ 0.366076 0.366076 0.633924 ] [ 0.866076 0.133924 0.133924 ] [ 0.133924 0.133924 0.866076 ] [ 0.133924 0.866076 0.133924 ] [ 0.633924 0.633924 0.633924 ] [ 0.015387 0.659005 0.659005 ] [ 0.015387 0.340995 0.340995 ] [ 0.659005 0.659005 0.015387 ] [ 0.340995 0.659005 0.984613 ] [ 0.659005 0.015387 0.659005 ] [ 0.340995 0.984613 0.659005 ] [ 0.515387 0.159005 0.840995 ] [ 0.515387 0.840995 0.159005 ] [ 0.484613 0.159005 0.159005 ] [ 0.840995 0.159005 0.515387 ] [ 0.159005 0.484613 0.159005 ] [ 0.159005 0.515387 0.840995 ] [ 0.159005 0.840995 0.515387 ] [ 0.840995 0.515387 0.159005 ] [ 0.159005 0.159005 0.484613 ] [ 0.840995 0.840995 0.484613 ] [ 0.840995 0.484613 0.840995 ] [ 0.340995 0.015387 0.340995 ] [ 0.659005 0.984613 0.340995 ] [ 0.659005 0.340995 0.984613 ] [ 0.340995 0.340995 0.015387 ] [ 0.984613 0.340995 0.659005 ] [ 0.984613 0.659005 0.340995 ] [ 0.484613 0.840995 0.840995 ] [ 0.113266 0.113266 0.113266 ] [ 0.613266 0.386734 0.613266 ] [ 0.613266 0.613266 0.386734 ] [ 0.386734 0.613266 0.613266 ] [ 0.886734 0.886734 0.113266 ] [ 0.113266 0.886734 0.886734 ] [ 0.886734 0.113266 0.886734 ] [ 0.386734 0.386734 0.386734 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.52803804 "source-unit" "angstrom" } }