{ "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" [ [ 0.631608 0.759151 0.35958 ] [ 0.368392 0.259151 0.14042 ] [ 0.368392 0.240849 0.64042 ] [ 0.631608 0.740849 0.85958 ] [ 0.501446 0.713593 0.129204 ] [ 0.498554 0.213593 0.370796 ] [ 0.498554 0.286407 0.870796 ] [ 0.501446 0.786407 0.629204 ] [ 0.299444 0.749057 0.36139 ] [ 0.700556 0.249057 0.13861 ] [ 0.700556 0.250943 0.63861 ] [ 0.299444 0.750943 0.86139 ] [ 0.729802 0.717986 0.22824 ] [ 0.270198 0.217986 0.27176 ] [ 0.270198 0.282014 0.77176 ] [ 0.729802 0.782014 0.72824 ] [ 0.698933 0.829569 0.538513 ] [ 0.301067 0.329569 0.961487 ] [ 0.301067 0.170431 0.461487 ] [ 0.698933 0.670431 0.038513 ] [ 0.300459 0.602045 0.625869 ] [ 0.699541 0.102045 0.874131 ] [ 0.699541 0.397955 0.374131 ] [ 0.300459 0.897955 0.125869 ] [ 0.280487 0.975747 0.652948 ] [ 0.719513 0.475747 0.847052 ] [ 0.719513 0.024253 0.347052 ] [ 0.280487 0.524253 0.152948 ] ] } "species" { "source-value" [ "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "O" "O" "O" "O" "O" "O" "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" 4.85660233019 "source-unit" "angstrom" } "b" { "source-value" 7.11005797 "source-unit" "angstrom" } "c" { "source-value" 14.01935114 "source-unit" "angstrom" } "beta" { "source-value" 91.1257306149 "source-unit" "degree" } }