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=2.9925839711994175 stress="0.000291908085587831 7.563868780218772e-05 0.00015730602316310822 7.563868780218772e-05 0.0005146540545885352 0.00012229883646489842 0.00015730602316310822 0.00012229883646489842 0.00041815033215945066" free_energy=2.9925839711994175 pbc="F F F" Fe 20.80021920 20.70934966 21.01446938 1.81993657 3.00284880 2.12805241 O 22.36276734 22.25455949 22.44289518 -3.65006887 -1.82269825 -0.41365151 O 24.07643240 20.93113041 21.28751377 0.79947684 -0.08880053 2.52387957 H 25.60455813 22.62049616 22.75100509 -1.39405027 -0.85637432 1.30936560 Fe 20.72447206 23.75680246 20.94345512 2.17172489 -1.99984738 1.89494260 H 22.16585433 25.55729835 22.53718511 -0.17438978 -0.50177942 -0.06686378 H 23.90448011 23.59676443 21.03478143 -0.23308436 -0.24661689 0.28998428 O 25.39821745 25.43741131 22.42602456 0.18136623 0.21174956 -0.46013452 Fe 21.29531374 21.27239079 24.27144498 2.39094175 2.10640045 -0.78143916 H 22.42499023 22.29394831 25.70159411 -0.66422433 -1.13897429 -1.62367030 Fe 24.31974469 20.94550996 23.79304268 -0.55237735 6.25033980 -2.91136014 O 25.54692357 22.77481997 25.47789729 -1.08634884 0.96738875 -0.81168348 H 21.15976026 24.12845986 24.19883905 1.27617489 1.33544112 1.43907193 Fe 22.17421058 25.74342989 25.48916032 -0.12017974 -2.29496336 -1.97723309 O 24.00047313 23.77516603 23.70330445 1.11322797 -0.72189078 1.85873643 Fe 25.27975412 25.24840012 25.74217457 -1.87812561 -4.20222326 -2.39799685