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=46.15629353658237 stress="-108.01872961058686 13.395688495127182 5.370125966154674 13.395688495127182 -88.59840794660883 0.1711799628061641 5.370125966154674 0.1711799628061641 -99.22944577932657" pbc="F F F" Sm 0.03369179 0.02598936 -0.27670350 -31.61025234 -26.44435949 -29.59072035 Sm 1.46375436 1.40583543 -0.24440284 26.69267822 34.72295105 -30.63275082 Sm 1.20178472 0.29874826 1.27290972 53.44749925 -48.69210474 36.06539655 Sm -0.11909813 1.36136659 1.55835534 -48.52992512 40.41351318 24.15807462