{ "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" [ [ 0.491865 0.232265 0.018613 ] [ 0.508135 0.732265 0.481387 ] [ 0.508135 0.767735 0.981387 ] [ 0.491865 0.267735 0.518613 ] [ 0.274801 0.477173 0.112613 ] [ 0.725199 0.977173 0.387387 ] [ 0.725199 0.522827 0.887387 ] [ 0.274801 0.022827 0.612613 ] [ 0.905863 0.425996 0.366537 ] [ 0.094137 0.925996 0.133463 ] [ 0.094137 0.574004 0.633463 ] [ 0.905863 0.074004 0.866537 ] [ 0.198223 0.185718 0.254183 ] [ 0.801777 0.685718 0.245817 ] [ 0.801777 0.814282 0.745817 ] [ 0.198223 0.314282 0.754183 ] [ 0.028397 0.137641 0.099346 ] [ 0.971603 0.637641 0.400654 ] [ 0.971603 0.862359 0.900654 ] [ 0.028397 0.362359 0.599346 ] [ 0.22941 0.093167 0.387184 ] [ 0.77059 0.593167 0.112816 ] [ 0.77059 0.906833 0.612816 ] [ 0.22941 0.406833 0.887184 ] [ 0.360193 0.325593 0.278706 ] [ 0.639807 0.825593 0.221294 ] [ 0.639807 0.674407 0.721294 ] [ 0.360193 0.174407 0.778706 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "B" "B" "B" "B" "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" 3.31508599259 "source-unit" "angstrom" } "b" { "source-value" 9.26466857 "source-unit" "angstrom" } "c" { "source-value" 8.39555128231 "source-unit" "angstrom" } "beta" { "source-value" 101.296224853 "source-unit" "degree" } }