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=-12.128125496293476 stress="-0.3022091649090018 -0.021819985346585396 0.21253727315446444 -0.021819985346585396 0.1345780105986229 0.035820649779811316 0.21253727315446444 0.035820649779811316 -0.0033305249613899386" free_energy=-12.128125496293476 pbc="T F F" C 2.84107598 0.06708870 0.18947213 6.23787243 2.16267285 -1.73208265 H 1.47372219 1.63185401 0.02278034 -0.45273742 -1.07967875 1.34067182 V 1.68407183 0.06109240 1.20032005 -6.72082049 0.36227705 2.66057269 O 0.16886747 1.41077460 1.23656853 0.93568548 -1.44527116 -2.26916186