4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=2.17104860497 stress="-2.779772504145893 -0.6052803806902658 -1.1836274387668257 -0.6052803806902658 -3.871770702002427 0.7468546048788298 -1.1836274387668257 0.7468546048788298 -1.2317247782585294" pbc="F F F" Si 0.12961200 -0.12574141 0.15720406 -5.17450022 -5.22877598 -1.80528476 Si 1.26564846 1.38507600 0.29768454 3.44704094 6.90910018 -0.81345975 O 1.48273691 -0.13934333 1.67089611 4.01525211 -3.96782273 3.62154156 O -0.02988876 1.20220318 1.21755886 -2.28779282 2.28749853 -1.00279705