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=-0.5394066909011797 stress="0.11088730556504826 -0.00994306458630077 0.015291913301572873 -0.00994306458630077 0.009862259307117016 0.018412384542744215 0.015291913301572873 0.018412384542744215 0.09293262425231365" free_energy=-0.5394066909011797 pbc="F T F"
H        0.21465782      -0.02988876       0.45509329       1.26720127       0.45883345       1.30624950
H        1.34838096       1.51728287       0.21211731      -1.00314361       0.12275666       0.95245585
H        1.21141357       0.34926876       1.54146933      -1.90649713       0.14919248      -1.47671537
H        0.24122900       1.52201293       1.31634348       1.64243947      -0.73078260      -0.78198998