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=163047.9739796027 stress="-585008.024791293 -152611.40119546535 169786.17863638612 -152611.40119546535 -672686.550140749 -264943.5152637939 169786.17863638612 -264943.5152637939 -718589.481152614" pbc="F F F" Pm 0.27142029 0.22253730 0.00744687 -220153.59415512 -439935.74705731 -352329.06617236 Pm 1.46889496 1.61041402 -0.04204876 350314.31117372 211599.41980051 -222099.74661162 Pm 1.66779531 -0.11613443 1.29102911 105939.97714761 -56952.25292863 94471.34479685 Pm 0.19694539 1.48345185 1.22908590 -236100.69416621 285288.58018543 479957.46798713