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=-0.4453123781971705 stress="-2.308916072406517 0.867835522817487 0.44112969127798096 0.867835522817487 -3.222592605934363 1.7907319697000186 0.44112969127798096 1.7907319697000186 -4.670848014656645" pbc="F F F"
H      -0.25271761      -0.01806569      -0.07998135      -0.25451206      -0.46759168      -0.35899837 
H       1.70070203       1.20342959      -0.09914834       0.61985906       1.46726004      -2.57760374 
H       1.49793547       0.28187239       1.51001192       0.78283899      -2.31058079       2.57519158 
H      -0.01546661       1.60170120       1.37793365      -1.14818599       1.31091243       0.36141053