{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.250435 0.084597 0.249661 ] [ 0.75035 0.249736 0.255184 ] [ 0.24965 0.249736 0.744816 ] [ 0.248278 0.915937 0.749642 ] [ 0.251722 0.415937 0.250358 ] [ 0.249565 0.584597 0.750339 ] [ 0.750435 0.584597 0.249661 ] [ 0.25035 0.749736 0.255184 ] [ 0.74965 0.749736 0.744816 ] [ 0.748278 0.415937 0.749642 ] [ 0.751722 0.915937 0.250358 ] [ 0.749565 0.084597 0.750339 ] [ 0 0.080375 0.5 ] [ 0.5 0.41474 0 ] [ 0.5 0.085643 0 ] [ 0.5 0.580375 0.5 ] [ 0 0.91474 0 ] [ 0 0.585643 0 ] [ 0.5 0.249918 0.5 ] [ 0 0.419286 0.5 ] [ 0 0.250203 0 ] [ 0 0.749918 0.5 ] [ 0.5 0.919286 0.5 ] [ 0.5 0.750203 0 ] [ 0.387458 0.086734 0.62928 ] [ 0.111011 0.913757 0.371741 ] [ 0.885982 0.248098 0.627788 ] [ 0.388989 0.413757 0.628259 ] [ 0.114018 0.248098 0.372212 ] [ 0.384942 0.918182 0.127635 ] [ 0.389179 0.249495 0.136011 ] [ 0.112542 0.586734 0.37072 ] [ 0.113238 0.081789 0.869556 ] [ 0.386762 0.581789 0.130444 ] [ 0.610821 0.249495 0.863989 ] [ 0.115058 0.418182 0.872365 ] [ 0.887458 0.586734 0.62928 ] [ 0.611011 0.413757 0.371741 ] [ 0.385982 0.748098 0.627788 ] [ 0.888989 0.913757 0.628259 ] [ 0.614018 0.748098 0.372212 ] [ 0.884942 0.418182 0.127635 ] [ 0.889179 0.749495 0.136011 ] [ 0.612542 0.086734 0.37072 ] [ 0.613238 0.581789 0.869556 ] [ 0.886762 0.081789 0.130444 ] [ 0.110821 0.749495 0.863989 ] [ 0.615058 0.918182 0.872365 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 9.8823062 "source-unit" "angstrom" } "b" { "source-value" 8.89112401 "source-unit" "angstrom" } "c" { "source-value" 5.13403814 "source-unit" "angstrom" } "beta" { "source-value" 99.80295848 "source-unit" "degree" } }