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=9087.06538146114 pbc="T T F" Md 0.18690168 0.28926804 0.03041838 101 -10982.95723359 -14828.98628751 -8123.67048769 Md 1.38916347 1.50860123 -0.00184072 101 11598.11026947 11645.50080571 -3932.71058654 Md 1.55302362 0.29946440 1.60387113 101 21562.78113510 -19289.35814567 3734.38498762 Md 0.22249852 1.23428862 1.54656402 101 -22177.93417098 22472.84362748 8321.99608661