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=-11.111391063385513 stress="-0.3074984295241092 -0.0017121081922639187 -0.01106090512477211 -0.0017121081922639187 -0.47214545884724757 -2.4020576972819565e-05 -0.01106090512477211 -2.4020576972819565e-05 -0.461164623074678" free_energy=-11.111391063385513 pbc="T T T"
O        0.26599513       0.17918122       0.05957798       0.43817603       0.64446596       0.29944922
Fe       1.66192607       1.49509235       0.03099333       0.36986203      -0.13991656      -1.47704690
Fe       1.69045800       0.07166715       1.42588762       0.58306978      -0.57584216       0.60143558
H       -0.28776729       1.63121795       1.40411058      -1.39110784       0.07129276       0.57616210