{ "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" [ [ 0.262938 0.75 0.08349 ] [ 0.753762 0.009995 0.231144 ] [ 0.753762 0.490005 0.231144 ] [ 0.246238 0.509995 0.768856 ] [ 0.246238 0.990005 0.768856 ] [ 0.737062 0.25 0.91651 ] [ 0.216953 0.25 0.332612 ] [ 0.783047 0.75 0.667388 ] [ 0.271238 0.25 0.043148 ] [ 0.728762 0.75 0.956852 ] [ 0.280795 0.75 0.419376 ] [ 0.719205 0.25 0.580624 ] [ 0.666758 0.75 0.111238 ] [ 0.014261 0.25 0.099021 ] [ 0.476561 0.25 0.166387 ] [ 0.191599 0.937958 0.313868 ] [ 0.191599 0.562042 0.313868 ] [ 0.589676 0.75 0.45255 ] [ 0.845136 0.25 0.417452 ] [ 0.154864 0.75 0.582548 ] [ 0.410324 0.25 0.54745 ] [ 0.808401 0.437958 0.686132 ] [ 0.808401 0.062042 0.686132 ] [ 0.523439 0.75 0.833613 ] [ 0.985739 0.75 0.900979 ] [ 0.333242 0.25 0.888762 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "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" 5.02020819 "source-unit" "angstrom" } "b" { "source-value" 6.44885575 "source-unit" "angstrom" } "c" { "source-value" 8.42058535 "source-unit" "angstrom" } "beta" { "source-value" 93.60801121 "source-unit" "degree" } }