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=1985.4615003530862 stress="-9433.739726433421 -654.4684628691552 3334.098213112641 -654.4684628691552 -7823.094015625665 -1233.7645681804252 3334.098213112641 -1233.7645681804252 -7438.861231250996" pbc="F F F" Md -0.15531176 -0.03745893 0.31982496 -2858.50785788 -3873.88770057 -1405.40309605 Md 1.23187708 1.30811348 0.02759435 5373.69377928 1565.56694940 -4598.92933591 Md 1.46578506 0.01219667 1.60503257 1251.96831410 -962.81445440 1844.49655611 Md -0.14199928 1.72471815 1.21513727 -3767.15423549 3271.13520556 4159.83587585