{ "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" [ [ 0.250847 0.5 0.002269 ] [ 0.249153 0 0.997731 ] [ 0 0.248546 0 ] [ 0.5 0.251454 0 ] [ 0.750847 0 0.002269 ] [ 0.749153 0.5 0.997731 ] [ 0.5 0.748546 0 ] [ 0 0.751454 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0 0.5 0.5 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.5 0 0.5 ] [ 0.128571 0.5 0.271161 ] [ 0.120997 0.751039 0.728259 ] [ 0.128109 0 0.272954 ] [ 0.120997 0.248961 0.728259 ] [ 0.379003 0.748961 0.271741 ] [ 0.371429 0 0.728839 ] [ 0.379003 0.251039 0.271741 ] [ 0.371891 0.5 0.727046 ] [ 0.628571 0 0.271161 ] [ 0.620997 0.251039 0.728259 ] [ 0.628109 0.5 0.272954 ] [ 0.620997 0.748961 0.728259 ] [ 0.879003 0.248961 0.271741 ] [ 0.871429 0.5 0.728839 ] [ 0.879003 0.751039 0.271741 ] [ 0.871891 0 0.727046 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 10.33609217 "source-unit" "angstrom" } "b" { "source-value" 5.96527502 "source-unit" "angstrom" } "c" { "source-value" 5.19167276 "source-unit" "angstrom" } "beta" { "source-value" 109.39854017 "source-unit" "degree" } }