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=-60.972623423872435 stress="-0.23249143017779986 0.04491667845216792 -0.008482464574430049 0.04491667845216792 -0.23089177611865241 0.03811807561738971 -0.008482464574430049 0.03811807561738971 -0.28037531291100964" free_energy=-60.972623423872435 pbc="F F F"
O        0.50723232       0.06951622       0.15243761       0.22411122      -3.41034688      -3.79028043
Fe       1.43596390       1.43445886       0.09738049      -2.74577985      -7.63976598      -3.94883551
H        1.06572131       0.22747435       1.48176045      -0.99168818      -1.59696461       0.65715315
O        0.17722095       1.61112250       1.43586680       0.26078324       3.51202778       2.45553370
O        3.24957118       0.29790146       0.21931608      -2.64397935       0.75653669      -4.27027781
Fe       4.47200325       1.49539387       0.22508214       2.63494891      -2.00480177      -0.72988818
O        4.24882695       0.01240763       1.61368846       3.72955348      -1.39012451       3.72483872
Fe       2.70798932       1.62655369       1.49350824       3.49180332      -1.06774638       3.33114245
Fe       0.13413190       2.71642464       0.12109083      -5.65704914       3.26815945      -2.00322476
H        1.57906050       4.36730750       0.18796206       0.06845871      -0.07159927      -0.01796246
H        1.51556730       2.78907838       1.00395900      -2.95711482       3.34431288       2.12311560
O        0.26564099       4.53147562       1.25045789       1.28436921      -0.54698251      -0.14060538
Fe       2.74001728       2.80133060       0.29600682       5.95816343      11.42608819      -7.36774146
H        4.14668372       4.63029344       0.40568330      -0.83714287      -1.13146046      -0.26377804
H        3.98809686       2.88272911       1.33719048       2.18014476       0.60458348       0.16696987
H        2.88950884       4.10790095       1.68173105      -0.80171304      -0.47175287      -0.13091511
H        0.13677812       0.44607771       3.07163063      -0.83037367      -0.07239196       0.15980805
Fe       1.68259565       1.39705932       2.96887479      -3.45902073      -0.37910315       1.72662710
Fe       1.56013337       0.34990345       4.72960442      -1.81436969      -2.34687942       2.72352031
O        0.20164339       1.30971549       4.64384272       0.47224808       0.50424419       0.43310769
Fe       3.12136930       0.17504889       2.86523956       4.77316042      -5.24162395       0.42403924
H        4.50230811       1.42851485       3.00585936       1.71909863       0.34760551      -0.13061617
O        4.43975670       0.16685013       4.37201292       0.02929081      -1.88161810      -0.60702987
O        3.16288981       0.90872544       4.65854856       0.38731496      -0.89471796       3.25735988
Fe       0.12784281       3.18363428       2.53962778      -4.04113370      -0.81522367       0.42504590
Fe       1.21221026       4.66227498       3.28745085       2.15692096       2.90453632      -2.64807328
Fe       1.52010165       2.94683318       4.74684207       0.06606719       2.54379539       1.93186183
H        0.20792870       4.63270201       4.47805555      -0.87686272      -0.65740771       2.01411422
O        3.25232904       2.77665686       2.89806491      -2.58906003       1.70520580      -0.93024289
H        4.77271728       4.30013715       2.95607485      -0.08321129      -0.22510971       0.19125172
O        4.26022098       2.72132455       4.39695112       0.78208142       1.52377917       1.09297671
H        2.43980952       4.58236547       4.41555528       0.10998031      -0.59525401       0.14100521