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=-1.4003244268613777 pbc="F T F" O -0.27407488 -0.21495266 0.18365717 8 0.54448039 -0.28887262 0.32840099 O 1.70288723 1.50828705 -0.20414597 8 -0.29023394 -0.17861194 -0.06820844 O 1.44809454 0.22094491 1.73171545 8 1.71412191 -1.05371984 0.00859366 O 0.18190327 1.32183498 1.71219253 8 -1.96836836 1.52120441 -0.26878621