{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.20207 0.785234 0.850699 ] [ 0.214151 0.24012 0.859902 ] [ 0.844763 0.491467 0.879017 ] [ 0.785849 0.74012 0.640098 ] [ 0.79793 0.285234 0.649301 ] [ 0.155237 0.991467 0.620983 ] [ 0.844763 0.008533 0.379017 ] [ 0.20207 0.714766 0.350699 ] [ 0.214151 0.25988 0.359902 ] [ 0.155237 0.508533 0.120983 ] [ 0.785849 0.75988 0.140098 ] [ 0.79793 0.214766 0.149301 ] [ 0.729745 0.009811 0.867543 ] [ 0.270255 0.509811 0.632457 ] [ 0.729745 0.490189 0.367543 ] [ 0.270255 0.990189 0.132457 ] [ 0.5 0 0 ] [ 0.980245 0.751724 0.994131 ] [ 0.969727 0.013819 0.746304 ] [ 0.030273 0.513819 0.753696 ] [ 0.536008 0.302314 0.774593 ] [ 0.463992 0.802314 0.725407 ] [ 0.019755 0.251724 0.505869 ] [ 0.980245 0.748276 0.494131 ] [ 0.5 0.5 0.5 ] [ 0.536008 0.197686 0.274593 ] [ 0.463992 0.697686 0.225407 ] [ 0.969727 0.486181 0.246304 ] [ 0.030273 0.986181 0.253696 ] [ 0.019755 0.248276 0.005869 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Bi" "Bi" "Bi" "Bi" "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" 5.5932479 "source-unit" "angstrom" } "b" { "source-value" 6.3079328 "source-unit" "angstrom" } "c" { "source-value" 10.89085519 "source-unit" "angstrom" } "beta" { "source-value" 109.36570024 "source-unit" "degree" } }