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=-60.972623467586416 stress="-0.23249120145755195 0.04491674259700661 -0.008482436663117413 0.04491674259700661 -0.2308919209807784 0.03811827791310615 -0.008482436663117413 0.03811827791310615 -0.2803752874833323" free_energy=-60.972623467586416 pbc="F F F"
O        0.50723232       0.06951622       0.15243761       0.22411688      -3.41034194      -3.79028242
Fe       1.43596390       1.43445886       0.09738049      -2.74579145      -7.63977510      -3.94883266
H        1.06572131       0.22747435       1.48176045      -0.99168657      -1.59696428       0.65715550
O        0.17722095       1.61112250       1.43586680       0.26078221       3.51202117       2.45552986
O        3.24957118       0.29790146       0.21931608      -2.64398343       0.75654559      -4.27027482
Fe       4.47200325       1.49539387       0.22508214       2.63495359      -2.00480379      -0.72988831
O        4.24882695       0.01240763       1.61368846       3.72954575      -1.39012717       3.72483962
Fe       2.70798932       1.62655369       1.49350824       3.49180536      -1.06774689       3.33114867
Fe       0.13413190       2.71642464       0.12109083      -5.65704953       3.26815822      -2.00322349
H        1.57906050       4.36730750       0.18796206       0.06845946      -0.07160017      -0.01796278
H        1.51556730       2.78907838       1.00395900      -2.95710889       3.34430930       2.12310993
O        0.26564099       4.53147562       1.25045789       1.28436588      -0.54696647      -0.14061233
Fe       2.74001728       2.80133060       0.29600682       5.95816197      11.42609138      -7.36773937
H        4.14668372       4.63029344       0.40568330      -0.83714212      -1.13145889      -0.26377768
H        3.98809686       2.88272911       1.33719048       2.18014519       0.60458570       0.16697635
H        2.88950884       4.10790095       1.68173105      -0.80171501      -0.47175174      -0.13091924
H        0.13677812       0.44607771       3.07163063      -0.83037320      -0.07239154       0.15980599
Fe       1.68259565       1.39705932       2.96887479      -3.45901980      -0.37910371       1.72662388
Fe       1.56013337       0.34990345       4.72960442      -1.81435764      -2.34687407       2.72351986
O        0.20164339       1.30971549       4.64384272       0.47224924       0.50424152       0.43311988
Fe       3.12136930       0.17504889       2.86523956       4.77317939      -5.24161906       0.42404571
H        4.50230811       1.42851485       3.00585936       1.71909899       0.34760184      -0.13062646
O        4.43975670       0.16685013       4.37201292       0.02929234      -1.88162264      -0.60702889
O        3.16288981       0.90872544       4.65854856       0.38728490      -0.89472409       3.25735386
Fe       0.12784281       3.18363428       2.53962778      -4.04112922      -0.81522531       0.42505210
Fe       1.21221026       4.66227498       3.28745085       2.15692149       2.90453697      -2.64807564
Fe       1.52010165       2.94683318       4.74684207       0.06607159       2.54379345       1.93185972
H        0.20792870       4.63270201       4.47805555      -0.87686023      -0.65740942       2.01411303
O        3.25232904       2.77665686       2.89806491      -2.58906239       1.70520471      -0.93024451
H        4.77271728       4.30013715       2.95607485      -0.08321103      -0.22510772       0.19125016
O        4.26022098       2.72132455       4.39695112       0.78207940       1.52377858       1.09297983
H        2.43980952       4.58236547       4.41555528       0.10997684      -0.59525444       0.14100464