{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.25 0.25 0.5 ] [ 0.25 0.25 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.25 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0.5 ] [ 0.75 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0.5 ] [ 0.25 0.75 0 ] [ 0.82525 0.808339 0.812016 ] [ 0.910883 0.781805 0.501887 ] [ 0.356599 0.95955 0.601842 ] [ 0.910883 0.218195 0.001887 ] [ 0 0.897674 0.25 ] [ 0.356599 0.04045 0.101842 ] [ 0.82525 0.191661 0.312016 ] [ 0.17475 0.808339 0.687984 ] [ 0.643401 0.95955 0.898158 ] [ 0 0.102326 0.75 ] [ 0.089117 0.781805 0.998113 ] [ 0.643401 0.04045 0.398158 ] [ 0.089117 0.218195 0.498113 ] [ 0.17475 0.191661 0.187984 ] [ 0.32525 0.308339 0.812016 ] [ 0.410883 0.281805 0.501887 ] [ 0.856599 0.45955 0.601842 ] [ 0.410883 0.718195 0.001887 ] [ 0.5 0.397674 0.25 ] [ 0.856599 0.54045 0.101842 ] [ 0.32525 0.691661 0.312016 ] [ 0.67475 0.308339 0.687984 ] [ 0.143401 0.45955 0.898158 ] [ 0.5 0.602326 0.75 ] [ 0.589117 0.281805 0.998113 ] [ 0.143401 0.54045 0.398158 ] [ 0.589117 0.718195 0.498113 ] [ 0.67475 0.691661 0.187984 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.82931107 "source-unit" "angstrom" } "b" { "source-value" 7.33972278 "source-unit" "angstrom" } "c" { "source-value" 6.95384457 "source-unit" "angstrom" } "beta" { "source-value" 119.00044137 "source-unit" "degree" } }