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=-12.901168667872327 stress="-0.48850953849078144 0.05890646763309168 0.04421431418540813 0.05890646763309168 -0.06036894324201093 0.004190046359000359 0.04421431418540813 0.004190046359000359 -0.25916717335162487" free_energy=-12.901168667872327 pbc="T F F" C 0.03181700 0.27768938 0.23729667 2.68160812 -3.68962741 0.23884591 O 1.24934259 1.07226451 0.14665882 -1.59099079 3.60562681 -5.71981905 H 1.60108297 0.18951062 1.49812296 -0.77349469 1.00543814 1.79168806 V -0.23794181 1.52174708 1.38117002 -0.31712265 -0.92143754 3.68928508