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=6.676324024465321 stress="-87.21038806142366 2.2457961402045674 -9.660070800854704 2.2457961402045674 -85.40652371664207 2.2584068264953956 -9.660070800854704 2.2584068264953956 -87.96262354169977" pbc="F F F" W -0.14801295 -0.02432459 0.06329927 -36.53330649 -25.44079262 -35.86965061 W 1.43745442 1.27846858 -0.00548572 22.86371892 32.12867886 -26.51612540 W 1.34126820 -0.15859300 1.31668137 35.19959834 -37.09769061 33.39371592 W -0.08013605 1.24396547 1.59073906 -21.53001077 30.40980437 28.99206009