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=29.655112566160323 stress="-63.406778667420454 -4.4841304529998895 -0.3812759539199355 -4.4841304529998895 -83.68773873221824 -19.213721447242577 -0.3812759539199355 -19.213721447242577 -69.4965929769269" pbc="F F F" Sm -0.28095614 0.00082602 0.24624097 -19.50276936 -40.55947664 -34.12258704 Sm 1.64302402 1.35498893 0.11042859 19.20302319 18.19460611 -22.07716075 Sm 1.70947124 -0.14487149 1.55280714 14.69953094 -19.41243997 17.78152135 Sm -0.08666117 1.34655491 1.37241235 -14.39978477 41.77731050 38.41822644