{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.245777 0.75 0.071691 ] [ 0.765302 0.013161 0.220528 ] [ 0.765302 0.486839 0.220528 ] [ 0.234698 0.513161 0.779472 ] [ 0.234698 0.986839 0.779472 ] [ 0.754223 0.25 0.928309 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0.27028 0.25 0.321607 ] [ 0.72972 0.75 0.678393 ] [ 0.269695 0.25 0.056707 ] [ 0.730305 0.75 0.943293 ] [ 0.313872 0.75 0.421048 ] [ 0.686128 0.25 0.578952 ] [ 0.713359 0.75 0.086258 ] [ 0.040242 0.25 0.126171 ] [ 0.488882 0.25 0.146484 ] [ 0.218268 0.932761 0.337632 ] [ 0.218268 0.567239 0.337632 ] [ 0.830264 0.25 0.435797 ] [ 0.604195 0.75 0.449366 ] [ 0.395805 0.25 0.550634 ] [ 0.169736 0.75 0.564203 ] [ 0.781732 0.432761 0.662368 ] [ 0.781732 0.067239 0.662368 ] [ 0.511118 0.75 0.853516 ] [ 0.959758 0.75 0.873829 ] [ 0.286641 0.25 0.913742 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Li" "Li" "Mn" "Mn" "B" "B" "P" "P" "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" 5.27888998 "source-unit" "angstrom" } "b" { "source-value" 6.90662948 "source-unit" "angstrom" } "c" { "source-value" 9.50343172 "source-unit" "angstrom" } "beta" { "source-value" 92.32177678 "source-unit" "degree" } }