108 Lattice="9.895639872387877 0.0 0.0 0.0 9.895639872387877 0.0 0.0 0.0 9.895639872387877" Properties=species:S:1:pos:R:3:forces:R:3 energy=-377.6619679432394 stress="-0.03164145010325525 -0.004267859843908823 -0.00016717050981615366 -0.004267859843908823 -0.03027801425525564 0.0021397010902335107 -0.00016717050981615366 0.0021397010902335107 -0.03201114643457756" pbc="F F F" Fe 0.01101262 0.00552651 0.02379003 -0.12048544 0.14620877 -0.25111855 Fe 1.65694626 1.66724698 0.00384124 0.36386023 0.00021522 -1.09638856 Fe 1.63419192 0.01577270 1.62523828 0.78395216 -0.82075874 0.87936792 Fe 0.03280670 1.67599518 1.62423591 -1.09991837 0.13882778 1.05840575 Fe 3.32022204 0.02527769 0.00790812 -0.42727189 -0.59113221 -0.55801177 Fe 4.97350844 1.62829686 0.01101299 -0.26453747 0.51801293 -0.69054336 Fe 4.93212000 0.02160118 1.66285713 0.43165101 -1.10794696 0.49184763 Fe 3.28553500 1.62988036 1.64022344 0.55512324 1.41267149 0.90877348 Fe 6.62852121 0.00341353 0.02879932 -1.11833764 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