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=16221.936474071877 stress="-3047.3242308678573 606.9747313276778 1707.8885585477838 606.9747313276778 -1804.2543468703695 1.6715229672275502 1707.8885585477838 1.6715229672275502 -2504.026761278318" pbc="T T F" Cf -0.20114425 -0.05801398 0.10680826 2392.32979502 -9852.77217936 -8597.60850845 Cf 1.38479162 1.03683404 0.23157572 45581.64667929 8055.01828685 -56337.74157560 Cf 1.34907415 -0.15316574 1.39593249 3857.04009269 -15580.17266452 18122.26970726 Cf 0.24627381 1.30510148 1.20214277 -51831.01656700 17377.92655703 46813.08037679