4000 Lattice="36.01675088875712 0.0 0.0 0.0 36.01675088875712 0.0 0.0 0.0 36.01675088875712" Properties=species:S:1:pos:R:3:forces:R:3 energy=-16115.122439760245 stress="-0.004425449295525958 9.351014855224421e-05 -4.075186037805618e-06 9.351014855224421e-05 -0.004424079756970145 -5.770475016000352e-05 -4.075186037805618e-06 -5.770475016000352e-05 -0.0044469750295157585" pbc="F F F" Fe 0.01452626 0.01811090 0.01228652 0.18176250 0.11336554 0.20288693 Fe 1.79400159 1.77816702 0.01266170 0.17770884 0.02946278 -0.18677341 Fe 1.80230089 0.00660333 1.83610940 -0.02272617 -0.12523302 -0.07255707 Fe 0.01879719 1.78787797 1.79323883 -0.14093795 0.04490110 0.23023912 Fe 3.63394929 0.01541830 0.05373390 -0.14581156 -0.08285880 -0.12395547 Fe 5.39460298 1.82277352 0.02038422 0.10975979 -0.15593515 -0.13886666 Fe 5.38335513 0.02440632 1.83146403 0.17312903 -0.20338890 -0.06511061 Fe 3.57378288 1.79816570 1.77242620 0.20542821 0.13622156 0.44363187 Fe 7.17281123 0.00069460 0.02769142 0.05057973 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