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=4.026035706139044 stress="-1.1718159798506849 0.05724253503156425 -0.2614843261640294 0.05724253503156425 -1.127239987184282 0.04590607193375686 -0.2614843261640294 0.04590607193375686 -1.0298735993548498" free_energy=4.026035706139044 pbc="T F T"
O        0.04648737       0.01229390      -0.15371586      -0.04426311      -8.98269262      -1.78980389
O        1.35019551       1.74339277      -0.28843667       1.30803718       7.20935475      -2.41395911
O        1.41738082       0.15093924       1.64803915       1.16853583     -10.07779980       2.62679841
O       -0.23583546       1.64526935       1.53806039      -2.43230990      11.85113767       1.57696459