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=-0.1323496148053351 stress="-0.30260289113682565 0.22129690703709698 -0.1293577317159665 0.22129690703709698 -0.3557464960502703 -0.04680770186138857 -0.1293577317159665 -0.04680770186138857 0.03323055352624246" free_energy=-0.1323496148053351 pbc="T F F" H 2.80133060 0.29600682 0.13029344 -0.45408037 2.24405804 -5.09647235 O 1.24074451 1.66838664 0.05709547 -2.47129324 -2.35293812 5.16563085 Zn 1.25584429 0.11833660 1.31520530 4.28229685 -8.34258055 3.76921216 H 0.54825952 1.63921287 1.42909857 -1.35692323 8.45146062 -3.83837066