108 Lattice="10.926747680430708 0.0 0.0 0.0 10.926747680430708 0.0 0.0 0.0 10.926747680430708" Properties=species:S:1:pos:R:3:forces:R:3 energy=-348.3559007550634 stress="-0.005226089864989684 -0.0001732867515547008 8.257540874785997e-05 -0.0001732867515547008 -0.005164671077111694 0.00019504945534593954 8.257540874785997e-05 0.00019504945534593954 -0.0058128763672920455" pbc="F F F" Fe 0.01189560 0.00738856 0.02969573 0.28237552 0.30466699 0.30382724 Fe 1.83320972 1.80634772 0.03285110 -0.21834241 0.10834708 -0.31858768 Fe 1.84255365 0.01754240 1.81688886 -0.19925512 -0.27075318 0.07388952 Fe 0.00583707 1.85722866 1.84803609 -0.25221300 -0.23634691 -0.14831278 Fe 3.61616330 0.02709277 0.03311283 0.09183631 -0.07198964 -0.10831709 Fe 5.45541229 1.82978721 0.00739530 0.14071598 -0.07368911 -0.28831282 Fe 5.43417493 0.00987397 1.81417824 0.06439179 -0.25223854 0.02988295 Fe 3.67198085 1.83788671 1.79336062 -0.18655253 0.07044909 0.24765527 Fe 7.25347888 0.00175005 0.01348088 0.13819878 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