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=-8.164843204927285 stress="-0.3431672354866912 -0.06045790002678598 0.0778566470418326 -0.06045790002678598 -0.3560649083084518 -0.046620318050868574 0.0778566470418326 -0.046620318050868574 -0.051058892760680714" free_energy=-8.164843204927285 pbc="T F F" H 0.11213984 0.13413190 0.41709765 0.33490465 -4.51062691 -2.30820879 O 1.23724817 1.06285990 0.18102060 0.73357602 0.49512952 1.04776551 Fe 1.51556730 0.19449984 1.78380155 -2.03983974 -4.50803865 1.05999785 Fe -0.19343792 1.24001728 1.30133060 0.97135908 8.52353604 0.20044543