864 Lattice="21.39543342590332 0.0 0.0 0.0 21.39543342590332 0.0 0.0 0.0 21.39543342590332" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3551.95376733865 stress="-0.010046999382946715 -0.00017432519195901376 -0.0004319262475878684 -0.00017432519195901376 -0.009147539857933852 -0.0005775699707625751 -0.0004319262475878684 -0.0005775699707625751 -0.009852191350405418" pbc="F F F" Fe 0.00144887 0.01007628 0.00728082 0.81508965 1.09339323 0.78611409 V 1.79647618 1.77033394 0.01062081 -0.53054942 -0.38293933 -0.58180866 V 1.76129087 0.02023096 1.80486662 0.00243320 -0.60373230 -0.70748472 V 0.01308792 1.77739487 1.77367072 -0.58798901 0.19003132 0.64193198 Fe 3.53248368 0.02149582 0.01590912 -0.00550084 0.07155458 0.69278322 Fe 5.34743200 1.74893342 0.02629119 -0.22037408 0.88818925 0.13453994 V 5.35555130 0.01441002 1.76773913 -0.23812065 -0.29119120 -0.28679448 Fe 3.53126945 1.77749485 1.77676822 0.86137825 0.46108739 0.18059820 Fe 7.11458139 0.02474379 0.00357819 0.27825993 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