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=4156.746703500364 pbc="T T F" Cf 0.06462577 -0.20349397 0.03006230 98 1022.81730393 1206.73719733 -1746.20764282 Cf 1.66347439 1.42384977 0.11927103 98 -1327.18978945 3726.52504480 -7602.66967904 Cf 1.51275421 0.26660383 1.46563619 98 -5902.84573988 -11056.84735757 5862.62346214 Cf -0.13464291 1.37841332 1.74143534 98 6207.21822540 6123.58511544 3486.25385972