{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.746823 0 ] [ 0.744074 0 0.5 ] [ 0.255926 0 0.5 ] [ 0 0.253177 0 ] [ 0.5 0.246823 0 ] [ 0.244074 0.5 0.5 ] [ 0.755926 0.5 0.5 ] [ 0.5 0.753177 0 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Zn" "Zn" "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" 6.04600396 "source-unit" "angstrom" } "b" { "source-value" 8.55341476 "source-unit" "angstrom" } "c" { "source-value" 3.02807556 "source-unit" "angstrom" } }