16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=1.475514583678424 stress="0.0002494039302676689 9.921093019614374e-05 7.731428055825729e-05 9.921093019614374e-05 0.00029698170262826566 3.401487656995434e-05 7.731428055825729e-05 3.401487656995434e-05 0.0003399762447579695" free_energy=1.475514583678424 pbc="F F F" Fe 20.75213077 20.73125112 20.71824351 1.12353589 1.65717917 1.19451262 Fe 22.63616082 22.26429260 22.62968218 0.56658998 1.19227857 0.99063275 Fe 24.21980528 21.29977655 21.18543805 0.81583734 2.59885583 1.43627618 H 25.45460942 22.57327937 22.69989723 -1.54348602 -1.41672287 -1.21260126 Fe 21.12961200 23.87425859 21.15720406 1.14608582 -0.98666698 0.37100637 Fe 22.26564846 25.38507600 22.79768454 0.34501116 -2.71566179 2.50660023 O 23.98273691 23.86065667 21.17089611 -1.87639203 -1.91210822 2.47701379 H 25.47011124 25.08656792 22.21755886 -0.58398306 -0.25421639 -0.52842796 Fe 20.85541431 20.89917148 24.26235339 2.15261822 2.16782508 0.82080770 O 22.34838096 22.71005355 25.71211731 -2.02111696 -1.97447459 -1.69031676 O 23.94968690 21.29594673 24.15710459 -0.40852261 0.59368052 -2.12345697 O 25.48858876 22.35687199 25.47664413 -0.04619118 0.50992822 -0.61586794 H 21.24122900 24.02201293 23.81634348 1.31900820 0.95185305 -0.97203646 O 22.43817516 25.31424312 25.31443107 0.01616756 0.37219806 -3.00732337 H 24.04376171 23.72051529 24.33994798 -0.93960734 -0.79462833 0.06643684 H 25.39665276 25.21879092 25.26653917 -0.06555497 0.01068067 0.28674425