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=-0.3398808148311503 stress="0.14675248796527762 -0.032167047274310925 0.028071302358022507 -0.032167047274310925 0.062449847320484975 0.006772704602608732 0.028071302358022507 0.006772704602608732 0.09186373905409496" free_energy=-0.3398808148311503 pbc="F F T"
H        0.23110688       0.01324301       0.20071341       1.61803476       0.33452244       1.40899616
H        1.18302660       1.63909689       0.15425040      -0.28045426      -0.48784575       0.85688552
H        1.45706424       0.27559981       1.21321713      -2.99566819       1.07687958      -1.29446678
H        0.21736445       1.28604778       1.55004192       1.65808769      -0.92355626      -0.97141490