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:Z:I:1:forces:R:3 energy=206126.17381427434 pbc="F T T" Y -0.14737551 0.35425568 -0.01679605 39 -209802.63613837 -222702.30714286 -150617.85552791 Y 1.29960929 1.31336714 0.20601308 39 512830.97740207 -15047.13583893 -315485.39367504 Y 1.25344685 -0.29166263 1.42866572 39 322718.46877374 309668.30323238 129769.58384755 Y 0.03267327 1.60328721 1.22500300 39 -625746.81003744 -71918.86025058 336333.66535540