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=6.676326237985813 stress="-87.20846696733778 2.2436317730075785 -9.659360560907821 2.2436317730075785 -85.40891361817368 2.2593107740826497 -9.659360560907821 2.2593107740826497 -87.96392197235346" pbc="F F F" W -0.14801295 -0.02432459 0.06329927 -36.53298821 -25.44204950 -35.86957437 W 1.43745442 1.27846858 -0.00548572 22.86417175 32.13053745 -26.51710647 W 1.34126820 -0.15859300 1.31668137 35.19777851 -37.09821229 33.39426735 W -0.08013605 1.24396547 1.59073906 -21.52896205 30.40972434 28.99241350