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=-1.3004760374555986 stress="0.1072978747099081 -0.00317406530517721 -0.003909950387074527 -0.00317406530517721 0.10133941417440397 -0.006054652351404399 -0.003909950387074527 -0.006054652351404399 0.09285208101181165" pbc="T T T" user12 -0.10754552 -0.05038575 -0.24085745 0.19700900 0.11139178 -0.54072302 user12 1.40154974 1.49926945 0.07108109 -0.17024749 -0.00709867 -0.21690174 user12 1.32321874 -0.00353839 1.78001829 -0.35599603 0.14742724 0.45307332 user12 0.13955967 1.33585890 1.59167028 0.32923452 -0.25172035 0.30455144