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=4.125688686745208 stress="-0.5575585941976123 -0.5483455707661388 -0.14404152178026056 -0.5483455707661388 -0.9668199482325669 0.29381667684491247 -0.14404152178026056 0.29381667684491247 -1.199121166564618" free_energy=4.125688686745208 pbc="F T T" Zn 0.19449984 0.28380155 -0.19343792 -17.39774817 -22.86068416 7.77885879 H 1.24001728 1.30133060 -0.01441386 13.80241360 10.36443191 3.26069163 O 1.05521203 0.29600682 1.25826521 0.53163011 4.08230410 1.33598898 H 0.24863004 1.24074451 1.66838664 3.06370446 8.41394816 -12.37553940