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=-40.08528048693733 stress="-0.001019248133791206 -0.0005049836789855986 0.00024997242341289426 -0.0005049836789855986 -0.0009169268551917987 0.000177555857681303 0.00024997242341289426 0.000177555857681303 -0.0009226943002343291" pbc="F F F" Fe 21.16025226 20.95046396 20.91867474 1.73889324 1.66913852 1.27210156 Fe 22.62322868 22.59407717 22.41802830 -23.06064795 -22.66638846 24.82385969 Fe 23.95898422 20.72219576 20.81147707 -1.44035687 2.79135225 2.87669446 Fe 25.43807622 22.38479162 22.47227577 4.42358975 8.12833370 -5.01396627 Fe 21.23157572 23.98910265 21.01982204 -10.82856632 -3.38141955 -7.50578520 Fe 22.12952764 25.72836226 22.40359698 5.23978706 3.20846809 6.50582718 Fe 23.70214277 23.93824135 21.07666000 25.42988285 25.40868021 -23.67048533 Fe 25.39915562 25.25737244 22.70483529 -1.23442798 -1.68294721 0.12469708 Fe 20.89592152 20.97529592 23.61798318 1.47469061 1.22687021 -1.36737947 Fe 22.35880038 22.11178606 25.42674294 0.36626597 2.49864433 0.82891626 Fe 23.89925618 21.10492737 23.71787348 -1.44727562 -13.62613633 9.07167491 Fe 25.69764009 22.17715637 25.25741216 -1.71262737 2.38264262 -1.45483671 Fe 21.15264358 24.12311364 24.29668560 -16.63014965 -15.70481315 -16.55026408 Fe 22.40150450 25.47229868 25.61493595 2.23841190 26.74963280 26.70361279 Fe 23.62038320 24.15279120 24.22897096 14.67111844 -17.00970214 -16.91594354 Fe 25.48113262 25.31863048 25.43004120 0.77141196 0.00764413 0.27127668