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=0.9813909487242649 stress="-0.2584531173751907 -0.3182217571949877 -0.13185733355011503 -0.3182217571949877 -0.009977568404407841 0.2816086995056322 -0.13185733355011503 0.2816086995056322 -0.1986612899159654" free_energy=0.9813909487242649 pbc="T F F"
O       -0.05167817       0.25980354       0.30994978      -5.97695036       0.74290128       0.17962815
O        1.40295338       1.60338854       0.24759167       2.41801132       5.75997324      -3.57839491
O        1.35813690       0.18843096       1.67061300      -1.48588061       0.64790672       5.69979772
O        0.29169807       1.29792458       1.44630638       5.04481965      -7.15078124      -2.30103096