{ "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" [ [ 0.978011 0.5 0.342679 ] [ 0.66067 0.5 0.625968 ] [ 0.632226 0 0.970166 ] [ 0.371357 0.5 0.026153 ] [ 0.351289 0 0.3725 ] [ 0.032155 0 0.661173 ] [ 0.673267 0 0.332914 ] [ 0.336147 0.5 0.667477 ] [ 0.857511 0.5 0.005185 ] [ 0.181479 0.5 0.166286 ] [ 0.141193 0 0.973123 ] [ 0.014244 0 0.166564 ] [ 0.849511 0 0.396526 ] [ 0.610333 0 0.448335 ] [ 0.806178 0.5 0.077882 ] [ 0.560732 0 0.157458 ] [ 0.303585 0.5 0.210632 ] [ 0.449928 0.5 0.843773 ] [ 0.204238 0 0.911698 ] [ 0.401902 0.5 0.555488 ] [ 0.159921 0.5 0.604128 ] [ 0.093492 0 0.288862 ] [ 0.908065 0.5 0.698157 ] [ 0.702567 0 0.786871 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "B" "B" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.00634251 "source-unit" "angstrom" } "b" { "source-value" 3.18210039 "source-unit" "angstrom" } "c" { "source-value" 9.013387 "source-unit" "angstrom" } "beta" { "source-value" 119.57322751 "source-unit" "degree" } }