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=292794.28864046454 pbc="T F T" Y -0.17831534 -0.13852206 0.23739289 39 305714.46962153 -491295.33583624 -478115.14199261 Y 1.34428038 1.34985948 -0.08707091 39 -77167.26489412 116532.57517599 -146368.29676709 Y 1.70921996 0.28070749 1.38103649 39 -835732.95528861 -547439.26572726 534401.80117920 Y -0.20176553 1.34530419 0.99092148 39 607185.75056120 922202.02638751 90081.63758050