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=8.709124432097097 stress="-74.30818608527724 0.9766157794585042 -3.9301176457262486 0.9766157794585042 -70.09165517850852 0.7589076293345869 -3.9301176457262486 0.7589076293345869 -72.32708349504003" pbc="F F F" W -0.14801295 -0.02432459 0.06329927 -29.81957459 -21.62192853 -28.29499968 W 1.43745442 1.27846858 -0.00548572 21.23357719 26.27784771 -22.62591305 W 1.34126820 -0.15859300 1.31668137 28.18357376 -29.77566479 25.57077703 W -0.08013605 1.24396547 1.59073906 -19.59757636 25.11974561 25.35013571