16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-22.59923863875922 stress="-0.0001700481654302135 -2.9582745307051117e-05 0.00021035146638508656 -2.9582745307051117e-05 -0.000180985315819268 2.8202454754591367e-05 0.00021035146638508656 2.8202454754591367e-05 -0.00021860225943564853" pbc="F F F" Fe 20.95525223 21.04825113 20.97640297 0.67657441 0.84944930 0.99283782 Fe 22.24114677 22.22736499 22.75278033 5.04116683 5.10577494 -6.82267582 P 24.09200417 20.88382773 20.96970286 -3.10068967 -1.67607477 -1.21681482 P 25.79489863 22.25083955 22.17263018 5.08717249 0.04100839 0.37910474 P 21.01683428 24.00346909 20.78902040 -0.88334538 -1.02527718 0.68235124 Fe 22.23155877 25.15230254 22.29375489 2.43959859 0.77053916 -1.55231593 P 23.95276558 24.06194135 20.87455773 0.08145497 1.48050622 -1.80238262 Fe 25.40855725 25.25979631 22.49454085 -0.75705804 -0.49443464 0.51353943 Fe 21.31668878 21.20596763 23.96055881 -4.57596244 -4.73713610 5.13609669 P 22.41062519 22.29973702 25.78055862 -2.57776622 1.10130033 2.44273742 P 23.72950407 20.79998375 24.23232047 1.45602522 -2.57298170 -1.67766539 Fe 25.58172484 22.74140249 25.52612442 -0.26981523 0.67567489 -0.11673925 Fe 21.27469533 24.10895215 23.75381041 -0.89479224 -1.68962290 2.21023983 P 22.75912702 25.24222034 25.35844045 -0.80813897 2.19003162 1.14076529 P 24.19291102 23.72817044 23.69914166 0.01073548 1.11147193 0.85761261 Fe 25.69673490 25.34323236 25.67171396 -0.92515980 -1.13022947 -1.16669123