{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.70737 0.5 0.009633 ] [ 0.659393 0.5 0.641792 ] [ 0.633545 0.5 0.348975 ] [ 0.207072 0.5 0.508228 ] [ 0.158532 0.5 0.142687 ] [ 0.132864 0.5 0.849568 ] [ 0.865016 0 0.493726 ] [ 0.808005 0 0.82003 ] [ 0.365924 0 0.994418 ] [ 0.326403 0 0.685305 ] [ 0.30841 0 0.320207 ] [ 0.824734 0 0.183272 ] [ 0.998293 0.5 0.332237 ] [ 0.000437 0 0.000997 ] [ 0.99998 0.5 0.66663 ] [ 0.50007 0.5 0.833525 ] [ 0.500039 0 0.499891 ] [ 0.502173 0.5 0.166744 ] [ 0.989454 0.5 0.569981 ] [ 0.981845 0.5 0.235696 ] [ 0.861364 0.5 0.388869 ] [ 0.860127 0.5 0.72029 ] [ 0.846597 0 0.0416 ] [ 0.65258 0.5 0.875092 ] [ 0.653621 0.5 0.209125 ] [ 0.635779 0 0.557805 ] [ 0.518817 0 0.403214 ] [ 0.490078 0.5 0.070025 ] [ 0.486201 0.5 0.736676 ] [ 0.361831 0.5 0.888829 ] [ 0.362592 0.5 0.220554 ] [ 0.345422 0 0.538808 ] [ 0.151416 0.5 0.373413 ] [ 0.150369 0.5 0.709961 ] [ 0.136738 0 0.057956 ] [ 0.016908 0 0.904237 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Fe" "B" "B" "B" "B" "B" "B" "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" 8.27155302 "source-unit" "angstrom" } "b" { "source-value" 3.18374013 "source-unit" "angstrom" } "c" { "source-value" 14.33027314 "source-unit" "angstrom" } "beta" { "source-value" 90.09913367 "source-unit" "degree" } }