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=25.075348664326803 stress="-229.3997942451218 5.215228610326768 -22.490119419644344 5.215228610326768 -217.7414853972703 4.423569407398531 -22.490119419644344 4.423569407398531 -224.14663419232443" pbc="F F F" W -0.14801295 -0.02432459 0.06329927 -95.22707631 -65.55585537 -91.00646375 W 1.43745442 1.27846858 -0.00548572 61.35193723 81.63386234 -67.72286261 W 1.34126820 -0.15859300 1.31668137 91.33852007 -93.95759740 83.78225598 W -0.08013605 1.24396547 1.59073906 -57.46338099 77.87959043 74.94707038