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:forces:R:3 energy=40.5740413048 stress="-21.625495061507714 0.5039940200024959 -2.0732965199067697 0.5039940200024959 -20.927806604488126 0.5658342211039762 -2.0732965199067697 0.5658342211039762 -21.80469164541129" pbc="F F F" O -0.14801295 -0.02432459 0.06329927 -32.60855755 -22.74673099 -31.91718605 O 1.43745442 1.27846858 -0.00548572 21.09761897 28.73230198 -24.30147516 O 1.34126820 -0.15859300 1.31668137 31.31430922 -33.05389876 29.73284115 O -0.08013605 1.24396547 1.59073906 -19.80337064 27.06832778 26.48582005