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=-0.2266108200803374 stress="0.033269358910104956 0.020944678556158815 -0.04016272831982402 0.020944678556158815 0.0353587898924787 -0.01804059301965702 -0.04016272831982402 -0.01804059301965702 0.09015045228049076" free_energy=-0.2266108200803374 pbc="T T T"
H       2.60704314       0.11042859       0.20947124      -0.80675408       0.12277444       1.65663275 
H       1.51001633       1.61269254       2.61579628      -0.05989216       0.50173289      -0.66789457 
H       1.51086573       2.68666965       1.32230844       0.97488344      -0.09500067      -0.39333316 
H       2.89893225       1.22286420       1.43858073      -0.10823720      -0.52950665      -0.59540502