1372 Lattice="27.74209612549534 0.0 0.0 0.0 27.74209612549534 0.0 0.0 0.0 27.74209612549534" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2597.4653580132886 stress="-0.0021225926399034583 -0.002458576340212108 -0.00048236323338873876 -0.002458576340212108 -0.007053946394519578 -0.0007325261321954296 -0.00048236323338873876 -0.0007325261321954296 -0.004342354935496117" pbc="F F F" Fe 0.01611639 0.00645754 0.03886566 1.04692514 1.00127226 1.01470303 P 2.00921695 1.98110795 0.04893998 -1.56029822 0.19725786 -0.23258866 P 1.96646533 0.00097610 1.96969228 -1.58881653 -0.24879882 0.37867681 Fe 0.01239581 1.92666368 1.98741764 1.35431926 0.05248862 -0.15688364 Fe 4.01164933 0.02567990 0.00604015 0.07960174 1.32104216 1.38407951 P 6.01728365 1.95308187 0.04551504 -0.77022468 2.74290874 -0.21594127 P 5.94867779 0.00330963 1.99099131 -0.22310201 -1.63092434 0.57657738 Fe 3.94478452 1.97334756 1.98167822 0.29781099 -0.06010258 -0.13056888 P 7.92190551 0.03667772 0.03573351 2.09833289 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