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=-0.13716142477865645 stress="0.09605387410254193 -0.023051535005942606 0.0213150563638039 -0.023051535005942606 0.028879918713397998 0.008350600127836469 0.0213150563638039 0.008350600127836469 0.052486364223704285" free_energy=-0.13716142477865645 pbc="F F T"
H        0.23110688       0.01324301       0.20071341       1.10843293       0.11890480       1.00425764
H        1.18302660       1.63909689       0.15425040      -0.08162620      -0.10740085       0.50206999
H        1.45706424       0.27559981       1.21321713      -2.04070704       0.58439180      -0.86644970
H        0.21736445       1.28604778       1.55004192       1.01390031      -0.59589576      -0.63987793