4000 Lattice="36.77905845024614 0.0 0.0 0.0 36.77905845024614 0.0 0.0 0.0 36.77905845024614" Properties=species:S:1:pos:R:3:forces:R:3 energy=-15076.756072124956 stress="-0.001760583599655665 4.696096502613393e-05 -2.2141593127722478e-05 4.696096502613393e-05 -0.0017632164730826216 8.046720003828678e-05 -2.2141593127722478e-05 8.046720003828678e-05 -0.0017161827675341182" pbc="F F F" Fe 0.01923610 0.03222372 0.00903379 0.34533271 0.30699747 0.27201691 Fe 1.86695253 1.84881593 0.01002293 -0.23760248 -0.06535544 0.06223739 Fe 1.83963453 0.01642336 1.83513685 -0.03160626 -0.05655259 -0.15534242 Fe 0.02224790 1.80414298 1.85048782 -0.04516551 0.13797195 -0.16400774 Fe 3.68439865 0.02082574 0.00396141 -0.08508148 0.15260424 0.20603414 Fe 5.49516388 1.83396459 0.04372790 0.29886526 -0.11682216 -0.08108822 Fe 5.49539602 0.03030442 1.84997483 0.18853627 -0.08490415 -0.09925021 Fe 3.69383342 1.85459196 1.80829874 -0.33082980 -0.16056631 0.17314267 Fe 7.39985300 0.02234568 0.02707119 -0.19306871 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