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=5.4995266264046005 stress="-1.2492942899024062 0.06046235042502384 -0.09103069358253826 0.06046235042502384 -0.9501766420880904 0.10657076355847565 -0.09103069358253826 0.10657076355847565 -0.49572940068916954" free_energy=5.4995266264046005 pbc="T T F"
O        0.07236142       0.33995419       0.23854596      -3.97183649      -4.18888728      -5.46413156
O        1.26922180       1.28229695       0.14999253       1.71199446       5.97348607      -6.44667137
O        1.68745344       0.02015752       1.37970777       2.49959136      -4.22957145       5.80991366
O        0.27711528       1.33332060       1.25213077      -0.23974933       2.44497266       6.10088927