{ "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" [ [ 0.066032 0.679148 0.882864 ] [ 0.066032 0.320852 0.382864 ] [ 0.933968 0.679148 0.617136 ] [ 0.933968 0.320852 0.117136 ] [ 0.566032 0.179148 0.882864 ] [ 0.566032 0.820852 0.382864 ] [ 0.433968 0.179148 0.617136 ] [ 0.433968 0.820852 0.117136 ] [ 0 0.260343 0.75 ] [ 0 0.739657 0.25 ] [ 0.5 0.760343 0.75 ] [ 0.5 0.239657 0.25 ] [ 0.831954 0.974151 0.631288 ] [ 0.831954 0.025849 0.131288 ] [ 0.168046 0.974151 0.868712 ] [ 0.168046 0.025849 0.368712 ] [ 0.331954 0.474151 0.631288 ] [ 0.331954 0.525849 0.131288 ] [ 0.668046 0.474151 0.868712 ] [ 0.668046 0.525849 0.368712 ] [ 0.739154 0.119866 0.695561 ] [ 0.739154 0.880134 0.195561 ] [ 0.138836 0.359848 0.586323 ] [ 0.138836 0.640152 0.086323 ] [ 0 0.890548 0.75 ] [ 0 0 0.5 ] [ 0 0.109452 0.25 ] [ 0 0 0 ] [ 0.861164 0.359848 0.913677 ] [ 0.861164 0.640152 0.413677 ] [ 0.260846 0.119866 0.804439 ] [ 0.260846 0.880134 0.304439 ] [ 0.239154 0.619866 0.695561 ] [ 0.239154 0.380134 0.195561 ] [ 0.638836 0.859848 0.586323 ] [ 0.638836 0.140152 0.086323 ] [ 0.5 0.390548 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0.609452 0.25 ] [ 0.5 0.5 0 ] [ 0.361164 0.859848 0.913677 ] [ 0.361164 0.140152 0.413677 ] [ 0.760846 0.619866 0.804439 ] [ 0.760846 0.380134 0.304439 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 5.88902788 "source-unit" "angstrom" } "b" { "source-value" 9.59979968 "source-unit" "angstrom" } "c" { "source-value" 9.45690292 "source-unit" "angstrom" } "beta" { "source-value" 91.94271621 "source-unit" "degree" } }