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=-19.762984964094862 stress="0.00028843933449305005 6.674842285158126e-05 0.0001590704392453466 6.674842285158126e-05 0.0005112872041513114 0.00010955608999528425 0.0001590704392453466 0.00010955608999528425 0.0004023322003466348" free_energy=-19.762984964094862 pbc="F F F" Fe 20.80021920 20.70934966 21.01446938 1.89604925 3.04895810 2.14865664 O 22.36276734 22.25455949 22.44289518 -4.22184667 -2.40570614 -0.30015973 O 24.21123923 20.91956574 21.28751377 0.59525317 -0.50195548 2.69540723 H 25.60455813 22.62049616 22.75100509 -1.14180875 -0.82743431 0.83596036 Fe 20.72447206 23.75680246 20.94345512 2.42802213 -2.20486248 1.75405469 H 22.67928886 25.54883855 22.00672007 -0.43004457 -0.37173889 -0.19708165 H 23.80867848 24.04668830 21.12449083 0.00018493 -0.07979105 0.15238065 O 25.39821745 25.43741131 22.42602456 0.26481215 0.46757082 -0.25149265 Fe 21.29531374 21.27239079 24.27144498 2.57854029 2.22844462 -1.01063555 H 22.42499023 22.29394831 25.70159411 -0.98330528 -1.08812583 -1.42401997 Fe 24.31974469 20.94550996 23.79304268 -0.35214627 6.78296173 -3.14504386 O 25.54692357 22.77481997 25.43467388 -1.09257784 0.92625753 -0.60363370 H 21.15976026 24.12845986 24.19883905 1.11933646 1.17535248 1.26909548 Fe 22.36794041 25.74342989 25.48916032 0.32811974 -2.26499752 -1.59673012 O 24.00047313 23.77516603 23.70330445 1.00515631 -0.41321145 2.39692314 Fe 25.27975412 25.24840012 25.74217457 -1.99374504 -4.47172213 -2.72368095