16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-19.992559713185102 stress="-9.172666847135591 -4.065145333134421 8.71208146239697 -4.065145333134421 -10.537280899050002 2.7709661177674896 8.71208146239697 2.7709661177674896 -17.20980888872287" pbc="F F F" Fe -0.16575405 -0.08950840 -0.27713580 0.54151386 1.41493802 0.95808453 Fe 1.43858073 1.25205420 1.65488783 -2.89535741 2.32646125 -2.56586413 P 3.05988540 -0.29754255 0.16431082 -1.10751816 -0.91774696 -3.43407377 P 4.31425730 1.48844065 1.78504462 6.36169963 1.30143784 -1.95541199 Fe -0.10028026 2.87366136 -0.03902326 1.26072526 -1.06908931 0.50940738 P 1.24651305 4.48736073 1.26716069 0.52349809 -0.13403913 -1.13019260 Fe 3.19410236 2.61326193 -0.11798803 -0.87471914 -0.24801712 0.99090722 P 4.45331628 4.22002482 1.46441771 2.35235860 3.77003858 -2.48664256 Fe -0.08338442 -0.03487808 3.24602314 1.03827854 1.18518319 -0.36182147 P 1.79391194 1.22614529 4.52103145 -1.56009251 2.20756515 4.30618014 P 2.77761356 0.18220204 2.77333618 0.46327149 -7.80469412 3.19528113 Fe 4.73573857 1.52724172 4.27538150 -1.23234449 0.95200191 -0.66652373 P -0.29703668 2.84887301 3.22083292 -2.81021304 -2.81733045 -1.39318290 P 1.28984966 4.48735431 4.42299150 2.51160418 1.55009909 1.27744210 Fe 3.18409894 3.05978228 2.58038399 -3.79409346 -0.14498113 3.48761735 Fe 4.36227591 4.59995250 4.76120756 -0.77861145 -1.57182683 -0.73120670