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=-1.8608667346587995 stress="-0.2937683854862415 -0.013587357659239694 0.22062641915412867 -0.013587357659239694 -0.47389813660847735 0.0949645031323939 0.22062641915412867 0.0949645031323939 -0.5235915556787092" free_energy=-1.8608667346587995 pbc="T T T" Zn 0.03310309 2.81305510 2.84472026 -1.98604179 6.29353282 0.94641440 H 1.62335449 1.49928290 0.23956773 -1.12312599 -1.57603430 1.89148964 O 1.22557373 2.90977949 1.64408857 2.53206990 -1.29041726 -4.20287719 H 2.97537525 1.70902946 1.29590009 0.57709789 -3.42708125 1.36497315