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=422.667772909289 pbc="T F F" I 0.07779487 -0.20128695 0.03249429 53 -290.66062512 -456.53117262 -245.65859344 I 1.44525803 1.20637303 0.29674386 53 783.41207105 681.26166729 -980.99548643 I 1.44524875 -0.18840695 1.72027511 53 579.93411115 -1024.67777445 413.25851340 I 0.26581080 1.28979909 1.76594084 53 -1072.68555709 799.94727979 813.39556648