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=54.707410653344475 stress="-152.1711460739108 2.9973850610068595 -12.38846155468994 2.9973850610068595 -146.22682483107783 2.9208751164491105 -12.38846155468994 2.9208751164491105 -151.2675495162546" pbc="F F F" W -0.14801295 -0.02432459 0.06329927 -62.37002317 -44.23818183 -60.36123664 W 1.43745442 1.27846858 -0.00548572 41.69497558 54.96142781 -46.53806331 W 1.34126820 -0.15859300 1.31668137 59.56205977 -62.90193286 55.52048266 W -0.08013605 1.24396547 1.59073906 -38.88701218 52.17868687 51.37881729