32 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=-12.95272051977955 stress="-0.004015344859933761 0.0005435752632024316 -0.0005238275059894691 0.0005435752632024316 -0.003936391941691833 -0.000359682592450114 -0.0005238275059894691 -0.000359682592450114 -0.004067485802584931" pbc="F F F" Fe 20.88909689 21.11115480 21.11044915 -5.87390505 -4.84725584 -8.96036531 Fe 22.70960170 22.31143450 20.86432452 -9.51453664 18.11551681 -5.95879083 Fe 22.01159245 20.83509776 22.60416852 9.44585508 -8.06745995 -1.11574291 Fe 21.07687608 22.51878885 22.32834452 -6.44851549 4.99687439 2.42348447 Fe 23.64970377 20.95894820 21.08349577 11.23015624 -18.80817192 1.99660501 Fe 25.42640788 22.26701478 20.84743642 2.20036414 1.52072897 -2.88523803 Fe 25.20804484 21.22277084 22.68584377 1.54555860 -28.04402099 -32.74552284 Fe 24.18362810 22.69581920 22.84755212 -11.01517108 -8.67682853 -9.12130990 Fe 20.97302364 24.17626233 20.85402479 -2.83012154 -4.89971014 -8.22294561 Fe 22.70996341 25.49207130 21.15300231 -6.36218390 8.28876469 -14.47137062 Fe 22.53848316 23.95774659 22.31937324 -1.92942481 -7.84689189 -0.00503095 Fe 20.95789336 25.38825682 22.26835150 -5.78101278 10.89450574 1.76584798 Fe 24.19178619 24.17895518 21.29140871 -14.09288406 -12.31633266 -38.60321047 Fe 25.61455359 25.53253581 21.43091928 6.99241990 11.67909113 -8.64130726 Fe 25.28091226 24.11610486 22.46603997 30.26325703 -13.05929566 16.21956002 Fe 23.80598025 25.32157598 22.51361598 1.62651103 22.21827856 17.54757049 Fe 20.85198705 20.97567541 24.04783266 -16.14188150 -2.23090250 -5.73058553 Fe 22.53915563 22.27846858 23.87244793 1.58347484 4.25906315 2.13663464 Fe 22.06031206 20.84140700 25.31668137 13.75638026 -10.01539072 10.44925988 Fe 20.92068996 22.24396547 25.59073906 -5.48634829 9.23915736 3.89304480 Fe 24.27219963 20.93381326 24.13132919 -11.28014829 -9.97084690 8.01847653 Fe 25.75978669 22.22592512 23.78504734 20.07285606 22.92597817 22.75470882 Fe 25.53864610 21.31331582 25.58343331 9.70757114 -5.27105871 5.26362631 Fe 24.00532527 22.30322305 25.63428374 -8.39078336 6.29691079 3.76629100 Fe 21.23171545 24.18190327 23.66838988 -8.58804679 -6.52143864 6.14567984 Fe 22.58460488 25.42485375 24.12990665 1.43759992 12.08683840 -7.17963245 Fe 22.28220450 24.28278197 25.56210000 21.93353434 -36.50766445 7.82346708 Fe 21.13362859 25.32702941 25.57034430 -32.15407542 27.24125021 3.55139704 Fe 24.04852473 24.05473499 23.91561068 -7.45086726 2.08132702 9.99799198 Fe 25.63661615 25.40480033 23.69950348 5.71752038 9.73752321 5.72126280 Fe 25.29869006 24.11041876 25.26735611 10.33910072 -4.54757038 6.76153373 Fe 23.83533445 25.24148635 25.58611608 5.48774660 10.04903131 7.40461028