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=-7.774825854528386 pbc="F T T" C 0.25978669 -0.27407488 -0.21495266 6 -5.97211605 -2.33733279 5.94054753 C 1.68365717 1.70288723 0.08343331 6 -1.30295223 0.84300085 0.76949344 C 1.29585403 -0.05190546 1.72094491 6 4.00397846 4.55248039 -3.91690850 C 0.23171545 1.68190327 1.32183498 6 3.27108981 -3.05814844 -2.79313247