32 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=93.47848713858971 stress="-2.7153671693050834 0.08626077185424219 0.2338056462870389 0.08626077185424219 -2.8244970331192785 -0.06521898936646407 0.2338056462870389 -0.06521898936646407 -2.6675615750719586" pbc="F F F" Ni 0.21547056 0.01635763 0.04797327 -14.24314406 -9.82336469 -29.26859384 Fe 1.93350238 1.75900491 0.25685297 -23.05837772 -22.59986236 -11.50882002 Ni 1.21574623 0.12784938 1.43372255 59.70509877 -56.20603988 -8.00528856 Fe 0.23666665 1.23656475 1.50090191 -50.85389417 74.43629096 -31.89017930 Ni 2.70193606 0.01942903 0.29417082 10.08566829 -14.55873629 -10.39875383 Ni 4.43361406 1.49536538 0.03691384 2.35049805 -7.79343043 -11.95059712 Fe 4.20677130 0.07736569 1.72577322 37.15475355 -8.56545511 -28.13657556 Fe 2.91155379 1.80507873 1.77354104 -10.01345992 -36.81035609 -39.90299292 Ni 0.03273964 3.07675992 0.29497883 -40.21348398 -41.90690863 -45.08391669 Fe 1.29599801 4.31113270 0.29119256 24.12519980 48.08759182 -39.36716308 Fe 1.30691229 3.16188986 1.44564997 53.62571652 -33.38871367 25.75415863 Ni 0.00795817 4.26680101 1.40920482 -52.64315026 60.04860339 21.50029233 Ni 2.73108817 3.19959138 0.16717744 34.97094096 19.20759477 -18.35309768 Ni 4.64995810 4.25491735 0.16523617 4.73230729 11.98207222 -10.17723299 Fe 4.38290997 2.84986578 1.35733739 11.03485260 1.26545478 14.92550754 Ni 2.96937529 4.62919136 1.61815944 1.90487451 8.96020943 0.80857657 Ni 0.14592855 0.20359985 2.75068542 -57.61636701 -63.56035418 42.29284543 Fe 1.22822113 1.27163296 2.87757679 45.82003486 48.18267118 27.26872621 Fe 1.28973682 0.29811016 4.57473240 30.04624571 -30.72548669 0.76342983 Fe 0.05926218 1.22754451 4.73715536 -34.25494875 24.56395083 7.26062253 Ni 3.02704010 0.20470050 2.77493780 -35.87734081 -11.17772797 34.08010517 Fe 4.62749873 1.49397598 3.11781300 10.94923960 14.84507663 -10.56983800 Ni 4.37775895 0.21338862 4.36129912 0.06418796 -15.15859348 17.00606008 Ni 2.70918501 1.75219415 4.62370952 18.30511094 -13.12450133 7.45488470 Ni 0.07924967 3.06744156 2.63553534 -31.44795842 -26.80031939 33.01747776 Fe 1.32090374 4.46177622 2.91413158 16.53165574 15.95502905 -7.32306077 Fe 1.39707300 2.90938640 4.31573811 -14.26853687 6.85018370 1.21946809 Fe 0.27410067 4.41410176 4.27391271 -14.64246202 6.10118541 14.60735770 Fe 3.11103007 2.82501147 2.79250795 4.36948952 43.05764289 44.21586209 Ni 4.58428847 4.61997604 3.00837991 4.38803488 1.87018893 -0.35552255 Ni 4.40014947 3.07068248 4.59255662 4.62804664 0.73838006 4.40070162 Fe 2.68419559 4.34541179 4.23554680 4.34116777 6.04772414 5.71555660