{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.325382 0.825382 0.5 ] [ 0.825382 0.674618 0.5 ] [ 0.174618 0.325382 0.5 ] [ 0.674618 0.174618 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.623266 0.876734 0 ] [ 0.876734 0.376734 0 ] [ 0.376734 0.123266 0 ] [ 0.123266 0.623266 0 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Al" "Al" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.81435147 "source-unit" "angstrom" } "c" { "source-value" 4.5787663 "source-unit" "angstrom" } }