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=423.0498031341668 pbc="F F T" At -0.26982304 -0.01207884 0.00385152 85 -455.81801154 -789.32692694 338.94980019 At 1.74566581 1.77642377 0.15143204 85 167.93954503 466.20665496 143.14477497 At 1.39916310 0.22337938 1.74934237 85 820.11329290 -745.08633913 -349.36849347 At -0.25425887 1.45483274 1.53068862 85 -532.23482639 1068.20661111 -132.72608169