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=-3.47837282714 stress="-13.163426419016627 -0.2125637134490538 0.40573440504193764 -0.2125637134490538 -11.396185247224688 -0.25871625513546714 0.40573440504193764 -0.25871625513546714 -11.142772922567854" pbc="F F F" W -0.14801295 -0.02432459 0.06329927 -18.18136601 -13.84171212 -14.88684967 W 1.43745442 1.27846858 -0.00548572 15.52980924 15.52005851 -13.31201671 W 1.34126820 -0.15859300 1.31668137 16.27105115 -16.68677548 12.46259506 W -0.08013605 1.24396547 1.59073906 -13.61949438 15.00842909 15.73627132