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=2.076777435682232 stress="-0.8254138108600364 0.19079357932128563 0.11883224124071684 0.19079357932128563 -0.06281618666507671 0.030620602965042168 0.11883224124071684 0.030620602965042168 -0.41503445887038165" free_energy=2.076777435682232 pbc="T F T" H 0.26147517 0.14592816 0.00505582 -4.76191346 0.79478896 4.96402509 O 1.23594820 1.67858111 0.08317833 -2.40751720 -4.25209614 1.42511599 Zn 1.34376228 0.26111147 1.72232616 9.55118178 -4.68006214 -4.02019287 H 2.97927008 1.22147108 1.48595243 -2.38175112 8.13736932 -2.36894821