{ "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" [ [ 0.725832 0.005801 0.252753 ] [ 0.725832 0.494199 0.252753 ] [ 0.274168 0.505801 0.747247 ] [ 0.274168 0.994199 0.747247 ] [ 0.129165 0.75 0.118278 ] [ 0.870835 0.25 0.881722 ] [ 0.210023 0.25 0.357394 ] [ 0.789977 0.75 0.642606 ] [ 0.288292 0.75 0.406447 ] [ 0.711708 0.25 0.593553 ] [ 0.243985 0.25 0.054952 ] [ 0.756015 0.75 0.945048 ] [ 0.735246 0.75 0.090643 ] [ 0.013287 0.25 0.106166 ] [ 0.441668 0.25 0.149914 ] [ 0.200529 0.930177 0.308634 ] [ 0.200529 0.569823 0.308634 ] [ 0.82669 0.25 0.435172 ] [ 0.586123 0.75 0.429841 ] [ 0.413877 0.25 0.570159 ] [ 0.17331 0.75 0.564828 ] [ 0.799471 0.430177 0.691366 ] [ 0.799471 0.069823 0.691366 ] [ 0.558332 0.75 0.850086 ] [ 0.986713 0.75 0.893834 ] [ 0.264754 0.25 0.909357 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Li" "Li" "Mn" "Mn" "P" "P" "C" "C" "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" 5.23658938 "source-unit" "angstrom" } "b" { "source-value" 6.86461109 "source-unit" "angstrom" } "c" { "source-value" 8.81598487 "source-unit" "angstrom" } "beta" { "source-value" 93.36118996 "source-unit" "degree" } }