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=0.4472211706352986 stress="-6.984620854894596 0.9449839432376531 -1.5714050049177009 0.9449839432376531 -5.252038627205439 0.2917455842501795 -1.5714050049177009 0.2917455842501795 -6.80411789177927" pbc="F F F"
H       0.04852473       0.05473499      -0.08438932      -2.75698378      -1.33759053      -3.18498712 
H       1.63661615       1.40480033      -0.12280496       1.05174291       2.02796942      -1.49920707 
H       1.29869006       0.11041876       1.26735611       3.88005329      -2.94717620       3.38325663 
H      -0.16466555       1.24148635       1.58611608      -2.17481242       2.25679731       1.30093757