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=-1.3573588991920476 stress="0.16162933261668733 0.08620078392672262 0.03602361329941159 0.08620078392672262 0.16977188472036786 -0.010607148843981465 0.03602361329941159 -0.010607148843981465 0.13042611989414934" free_energy=-1.3573588991920476 pbc="T T T"
H       0.00082602       0.24624097       0.14302402       1.15065788       2.14208097       1.50768358 
H       1.26548053       1.33329279       0.20947124      -0.33095559      -2.30909615       2.02622558 
H       1.35512851       0.20769496       1.41333883       0.83597310       2.40298857      -1.76305681 
H       2.54901236       1.37241235       1.32230844      -1.65567539      -2.23597338      -1.77085236