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:Z:I:1:forces:R:3 energy=-2.6285643144548105 pbc="T F F"
H       0.05988540      -0.29754255       0.16431082        1       1.16962703       1.43906643       2.12221779 
H       1.14522227       1.48844065       0.03277713        1      -1.88413633      -0.91820559       2.85936311 
H       1.39971974      -0.12633864       1.46097674        1      -0.90679040       0.67895290      -2.50067639 
H       0.00805869       1.71813893       1.26716069        1       1.62129970      -1.19981374      -2.48090451