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=-0.6223082664371117 stress="-0.2830187176113592 0.041891971355321675 -0.10718645505005923 0.041891971355321675 -0.37527799561045067 0.10727110615770835 -0.10718645505005923 0.10727110615770835 -0.1276675914483828" free_energy=-0.6223082664371117 pbc="F T F" Zn 0.29941889 -0.02945235 0.35764455 -8.22492642 4.77816108 -1.44072407 H 1.39705932 1.58748348 0.06244147 4.91178442 -2.00339379 -0.89726747 H 1.66039283 0.18740338 1.70352043 1.91243683 0.22901641 2.77015544 O 0.04765730 1.76267270 1.62136930 1.40070517 -3.00378369 -0.43216389