{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0 0.5 0 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.749103 0 0.275285 ] [ 0.98918 0.251135 0.740819 ] [ 0.98918 0.748865 0.740819 ] [ 0.250897 0 0.724715 ] [ 0.24952 0 0.263114 ] [ 0.01082 0.748865 0.259181 ] [ 0.01082 0.251135 0.259181 ] [ 0.75048 0 0.736886 ] [ 0.249103 0.5 0.275285 ] [ 0.48918 0.751135 0.740819 ] [ 0.48918 0.248865 0.740819 ] [ 0.750897 0.5 0.724715 ] [ 0.74952 0.5 0.263114 ] [ 0.51082 0.248865 0.259181 ] [ 0.51082 0.751135 0.259181 ] [ 0.25048 0.5 0.736886 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Te" "Te" "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" 10.5753612 "source-unit" "angstrom" } "b" { "source-value" 6.12415538 "source-unit" "angstrom" } "c" { "source-value" 6.15205107 "source-unit" "angstrom" } "beta" { "source-value" 124.14618226 "source-unit" "degree" } }