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=-1.8568966293869147 stress="-0.0040708381823752315 0.08862594918537199 0.04887919993223397 0.08862594918537199 0.09679644651358746 0.09627642076028584 0.04887919993223397 0.09627642076028584 -0.06223504186550541" free_energy=-1.8568966293869147 pbc="T T F" O 0.08746143 0.19045800 0.07166715 0.37887052 2.42049888 -0.23759596 O 1.39016377 1.21223271 0.17379638 0.63567968 -0.34819672 -0.90794902 O 1.40411058 2.77047667 1.37252202 -0.81668353 -2.47446123 0.28278217 O 0.03320948 1.28529231 1.70040666 -0.19786667 0.40215907 0.86276281