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=451.6123235247563 stress="-1847.638566453678 72.09261753173291 -121.77488151044344 72.09261753173291 -2177.5596970759843 -226.14026767310884 -121.77488151044344 -226.14026767310884 -1836.1345096702603" pbc="F F F" W -0.08741030 0.27606695 0.06603388 -40.12562153 -51.60285567 -57.03218628 W 1.50693356 1.66501753 0.22580078 94.79193166 -185.75101046 -200.78339026 Fe 1.42866320 0.18883157 1.46806865 40.45435454 -58.11462883 12.40050232 W 0.04313966 1.44832183 1.71263977 -136.48319344 -24.78227064 20.45630522 Fe 2.75020408 0.27143892 -0.08475272 19.61750824 -33.13642318 -14.42569464 W 4.60338854 1.74759167 0.11018303 140.00701647 -153.77283390 -82.43231309 Fe 4.27146611 -0.00997200 1.19858822 3.49143723 -22.71719632 3.57774159 W 2.86595967 1.68843096 1.82155224 88.52726017 -189.82125428 -72.41945996 W 0.29169807 2.96863002 -0.05369362 -177.77810057 93.54227601 -139.16723586 Fe 1.68655001 4.41399445 -0.10677678 -5.92079010 31.50430318 -25.06823351 W 1.32929456 2.78747849 1.39476746 38.93329652 227.41771045 152.20347865 Fe -0.08200157 4.77604931 1.35563921 -18.32369790 9.76264930 -11.84496307 W 3.26008946 2.87675974 -0.17769535 -134.85353570 52.37607722 -84.60114464 Fe 4.71049475 3.96569789 -0.05847913 49.06230613 48.32707908 1.08248179 Fe 4.27715687 2.74014891 1.43198894 46.97626841 108.37573651 103.64401822 Fe 2.73154176 4.29546282 1.16682777 26.55619367 27.66055901 21.72011052 W -0.00853856 -0.27043062 2.83885520 -18.39633561 -54.82416658 26.16794710 Fe 1.53926819 1.73010044 3.09566688 50.57685012 -86.05620748 52.03881458 Fe 1.65849930 0.06090377 4.71331074 5.27269348 -7.16566426 5.18039717 Fe 0.38163688 1.25729440 4.23241985 -14.16250777 -9.34894214 36.09443504 Fe 3.07255377 0.03313521 3.16278325 -35.79567649 -22.83158708 -11.27580591 W 4.66911338 1.30454100 3.12365747 42.24540517 48.29012347 -106.37386275 W 4.58939339 -0.04702487 4.34681875 19.49769614 -92.92060704 98.08167825 Fe 3.01512997 1.78191196 4.56719128 -27.77346511 -14.92343015 13.24527285 W 0.24404962 2.86810690 3.12937675 -168.46621004 46.63090045 26.66543745 W 1.25818085 4.59119645 2.82951187 37.19710473 92.16177367 -29.59113791 Fe 1.71456242 3.27913633 4.16569186 -76.34207008 -94.36712080 11.34729221 Fe 0.18492541 4.33178173 4.38323780 -25.67962400 21.68769409 48.53276430 Fe 2.60664438 2.96490969 2.76260376 34.70310604 135.88497040 104.90744818 W 4.58333140 4.54458771 3.19162780 6.64954895 32.65588478 -30.85611537 W 4.62593290 2.84000708 4.39901191 38.10705526 18.11148442 55.06037855 W 2.91812645 4.20122014 4.73212867 97.43379543 107.74697679 73.46503927