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=3.1265607054681217 stress="-0.25692487936117797 0.012807810833562512 0.021388867643583883 0.012807810833562512 -0.2725533207749383 -0.001756895262342587 0.021388867643583883 -0.001756895262342587 -0.2451477664885883" free_energy=3.1265607054681217 pbc="T F T" O -0.21988289 0.13572127 0.05791531 -0.83915238 -2.64383658 -0.81902899 O 1.23387496 1.58501927 0.10917354 -1.02695913 2.68141994 0.53711226 O 1.50693356 0.16501753 1.72580078 1.15218660 -2.31730045 0.76705378 O -0.07133680 1.68883157 1.49955875 0.71392490 2.27971709 -0.48513705