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=-9.259622862458471 pbc="T F T" C 0.20996341 -0.00792870 0.15300231 6 -3.77455716 -1.97166463 6.37294750 C 1.53848316 1.45774659 -0.08147842 6 8.16293613 7.74863346 -15.17784379 C 1.45789336 -0.11174318 1.27041603 6 2.87088251 -4.20593188 -1.68392154 C 0.19178619 1.67895518 1.79140871 6 -7.25926148 -1.57103695 10.48881783