{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.49332 0.207115 0.886803 ] [ 0.99332 0.292885 0.386803 ] [ 0.50668 0.792885 0.113197 ] [ 0.00668 0.707115 0.613197 ] [ 0.169585 0.360234 0.533015 ] [ 0.830415 0.639766 0.466985 ] [ 0.669585 0.139766 0.033015 ] [ 0.191242 0.201618 0.939012 ] [ 0.308758 0.701618 0.560988 ] [ 0.975735 0.611849 0.749423 ] [ 0.808758 0.798382 0.060988 ] [ 0.330415 0.860234 0.966985 ] [ 0.551498 0.371881 0.873773 ] [ 0.024265 0.388151 0.250577 ] [ 0.475735 0.888151 0.249423 ] [ 0.051498 0.128119 0.373773 ] [ 0.691242 0.298382 0.439012 ] [ 0.448502 0.628119 0.126227 ] [ 0.524265 0.111849 0.750577 ] [ 0.948502 0.871881 0.626227 ] ] } "species" { "source-value" [ "Na" "Na" "Au" "Au" "S" "S" "S" "S" "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" 4.79769693058 "source-unit" "angstrom" } "b" { "source-value" 8.61016485 "source-unit" "angstrom" } "c" { "source-value" 8.55040088164 "source-unit" "angstrom" } "beta" { "source-value" 95.2874165453 "source-unit" "degree" } }