32
Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3.7221504229581983 stress="-0.2127996068137761 0.037877045483212024 -0.023687774328119922 0.037877045483212024 -0.23595300349524725 0.023810169705876814 -0.023687774328119922 0.023810169705876814 -0.24753433911977427" free_energy=-3.7221504229581983 pbc="F F F"
O       0.50723232       0.06951622       0.15243761      -0.52037960      -4.08620179      -3.41711977 
Fe       1.43596390       1.43445886       0.09738049      -1.87227598      -5.81953366      -3.93100729 
H       1.06572131       0.38646409       1.48517318      -0.20368399      -0.51893483       0.06577220 
O       0.30999816       1.61112250       1.43586680       0.09566683       2.12529238       2.87639283 
O       3.24957118       0.15051130       0.21931608      -2.41676436      -0.59501614      -4.43652152 
Fe       4.47200325       1.48698241       0.12027470       2.20714709      -0.92692619      -0.81390173 
O       4.24882695       0.06601122       1.61368846       4.28333221      -1.20478193       4.09624121 
Fe       2.70798932       1.62655369       1.49350824       4.15031309      -2.85498926       3.14092286 
Fe       0.13413190       2.71642464       0.12109083      -4.39955309       3.01158413      -2.32877075 
H       1.23650180       4.32905684       0.25216175      -1.78339372       1.18895041       0.66418900 
H       1.51556730       2.78907838       1.32493723      -2.41365140       2.60999826       0.13070945 
O       0.19449984       4.53147562       1.25045789       2.84799451      -0.05707654      -1.85460515 
Fe       2.74001728       2.80133060       0.29600682       3.29465524      10.07279727      -6.13652420 
H       4.14668372       4.63029344       0.40568330      -0.82741082      -1.11455267      -0.34990160 
H       3.98809686       2.88272911       1.33719048       1.71056216      -0.13894183       0.54651217 
H       2.88950884       4.10790095       1.68173105      -0.65960327       0.25746415       0.10149782 
H       0.13677812       0.29941889       3.11720647       0.04055244       0.66549380       1.00515440 
Fe       1.68259565       1.39705932       2.96887479      -4.26279759      -1.60015257       2.71565057 
Fe       1.56013337       0.26147580       4.72960442      -2.40065947      -1.81357407       1.89511143 
O       0.39303105       1.54578026       4.52473089      -0.52473508       0.27658231       0.41099681 
Fe       3.12136930       0.17504889       3.14035578       1.93955234      -4.97886469      -0.88380334 
H       4.38347812       1.20442982       3.15811518       2.12551893       1.28950746      -0.14174841 
O       4.43975670       0.16685013       4.37201292       4.85494594      -3.81571323      -0.77699692 
O       3.16288981       1.02235878       4.65854856      -3.73075957       1.41396508       4.42688103 
Fe       0.12784281       3.18363428       2.51605408      -4.30979708      -1.73106405       1.91383476 
Fe       1.21221026       4.66227498       3.00366193       2.42597471       3.69113916       2.96849543 
Fe       1.54824667       3.06337422       4.74684207       0.25705219       3.48424837       0.40793547 
H       0.10720123       4.62232343       4.68207499       1.93540639      -1.44904274      -1.68914501 
O       3.25232904       2.77665686       2.89806491      -0.91413605       2.93009199      -1.75049217 
H       4.68392337       4.09153658       2.92247352      -0.15129459      -0.51953690       0.43818924 
O       4.26022098       2.72132455       4.39695112       1.30570578       1.78291438       1.02779166 
H       2.80634238       4.72349213       3.96817211      -2.08348419      -1.57512606      -0.32174049