4000 Lattice="36.41355571554765 0.0 0.0 0.0 36.41355571554765 0.0 0.0 0.0 36.41355571554765" Properties=species:S:1:pos:R:3:forces:R:3 energy=-54131.56846872848 stress="-92.93753615680075 -3.1656991087710935 3.354683022954248 -3.1656991087710935 -96.95465087122534 2.117133012880913 3.354683022954248 2.117133012880913 -93.57637978308588" pbc="F F F" Fe -0.02951609 0.01186786 -0.02338961 0.80116314 0.78514483 0.83676364 Fe 1.79667968 1.78638619 0.00858283 -0.27235268 -0.28356259 0.28814769 Fe 1.79491857 -0.00204124 1.85442319 -0.23233458 0.19037941 -0.53038800 Fe -0.01439995 1.85150228 1.83682479 0.21820611 -0.41790568 -0.45833211 Fe 3.66654562 -0.00994791 0.01994501 -0.02626426 0.61468661 0.59199478 Fe 5.49026814 1.84551351 -0.02678420 -0.20323695 -0.39580182 0.25220711 Fe 5.48346767 -0.01755834 1.83589238 -0.19548754 0.25405030 -0.29448168 Fe 3.61907641 1.84005132 1.83259099 0.17298061 -0.52319342 -0.31679314 Fe 7.22930622 -0.03170191 0.01678184 0.11756575 0.56223000 0.47558625 Fe 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