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=21.330547546752783 stress="-193.9491813214047 -14.204431132832749 -30.82727613761685 -14.204431132832749 -91.14452493045923 -0.24010302152492358 -30.82727613761685 -0.24010302152492358 -170.65462446356162" pbc="F F F" W 0.05988540 -0.29754255 0.16431082 -83.53520612 -36.29024045 -73.43765346 W 1.31425730 1.48844065 0.03277713 61.58041251 30.10813352 -58.90618312 W 1.39971974 -0.12633864 1.46097674 75.91907005 -13.50558357 87.45970475 W -0.21780693 1.71813893 1.26716069 -53.96427644 19.68769050 44.88413182