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=-1.2772602883352906 stress="0.06525221166656028 -0.0053150301894426336 0.016388605337248143 -0.0053150301894426336 0.15169131228707522 0.06816225437134787 0.016388605337248143 0.06816225437134787 0.1495831452979874" free_energy=-1.2772602883352906 pbc="F T T"
H       0.12968218       0.21980528       0.29977655       0.77000730       2.52493620       2.68879963 
H       1.66817496       1.45460942       0.07327937      -0.29433202      -0.72026558       0.86475558 
H       1.69989723       0.12961200       1.37425859      -0.88540769       1.17343040      -0.77841200 
H       0.32810018       1.26564846       1.38507600       0.40973241      -2.97810101      -2.77514321