{ "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" [ [ 0.249683 0.75 0.106658 ] [ 0.756137 0.003295 0.241371 ] [ 0.756137 0.496705 0.241371 ] [ 0.243863 0.503295 0.758629 ] [ 0.243863 0.996705 0.758629 ] [ 0.750317 0.25 0.893342 ] [ 0.201931 0.25 0.330234 ] [ 0.798069 0.75 0.669766 ] [ 0.275741 0.75 0.425291 ] [ 0.724259 0.25 0.574709 ] [ 0.264465 0.25 0.03815 ] [ 0.735535 0.75 0.96185 ] [ 0.647827 0.75 0.108864 ] [ 0.007633 0.25 0.080117 ] [ 0.456701 0.25 0.168406 ] [ 0.175331 0.943254 0.305755 ] [ 0.175331 0.556746 0.305755 ] [ 0.597349 0.75 0.464766 ] [ 0.851052 0.25 0.402164 ] [ 0.148948 0.75 0.597836 ] [ 0.402651 0.25 0.535234 ] [ 0.824669 0.443254 0.694245 ] [ 0.824669 0.056746 0.694245 ] [ 0.543299 0.75 0.831594 ] [ 0.992367 0.75 0.919883 ] [ 0.352173 0.25 0.891136 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Si" "Si" "B" "B" "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" 5.07323561 "source-unit" "angstrom" } "b" { "source-value" 6.36509447 "source-unit" "angstrom" } "c" { "source-value" 8.45592153 "source-unit" "angstrom" } "beta" { "source-value" 94.39182868 "source-unit" "degree" } }