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=-9.128704379001151 stress="-0.012737466294492737 -0.0002021767925231668 0.00016460634993645148 -0.0002021767925231668 -0.4076109658461327 0.020009145389673237 0.00016460634993645148 0.020009145389673237 -0.3931013446802691" free_energy=-9.128704379001151 pbc="F T T" Fe 0.01619234 -0.19227993 0.03790681 -1.21277842 -0.29154394 0.35273538 H 1.23395044 1.02169153 0.08893323 1.10812762 0.37145182 -0.77901887 O 1.63169046 0.23295849 1.35287479 -0.77565514 -0.31807858 0.61781014 Fe 0.29740101 1.28561866 1.57730756 0.88030595 0.23817070 -0.19152665