64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=441568.24451477226 stress="-1454498.0334616438 -843336.7835518257 -344426.35542748775 -843336.7835518257 -1922102.640912095 128471.45191545924 -344426.35542748775 128471.45191545924 -2001827.754178999" pbc="F F F" Rf 0.01438047 -0.11245530 -0.05808086 -260.32877588 -275.94440314 -226.73331367 Rf 1.39378749 1.34253427 1.13974980 8088.62890399 -24039.13163926 -2044.53862985 Rf 2.52301134 2.20546180 -0.03779681 6615.38278031 4825.22233581 -7335.82706452 Rf 3.38841889 3.98335392 1.18298176 2177.23523227 -1722.56285549 -994.96275186 Rf 2.12860395 -0.10668768 2.79394496 -9733.04104861 -8794.93365022 -5665.83304184 Rf 3.37549028 0.96368430 3.55253454 9898.40693612 8343.22389291 5700.46689552 Rf 0.41256991 2.63601335 1.73791667 -14778.31229619 19446.66668964 9008.70264333 Rf 1.66397675 3.60940012 4.14333703 311.60142647 -404.77622896 -347.61884097 Rf 4.30105921 -0.04265192 0.03040063 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149549.39075005 Rf 4.02069652 6.22114872 3.49107997 -161257.97862866 -162861.89308045 302891.71577908 Rf 0.07025134 7.21585003 2.75853101 -112554.88151340 -171337.87078303 -98516.03702648 Rf 0.78443004 8.32356071 3.40103955 110860.82886299 172373.00709861 99807.29795904 Rf 4.65395736 5.81964067 0.08952324 491.41771805 -157.28119924 -324.70815887 Rf 6.80523440 6.89646372 1.30956794 -89842.54554063 1615.91315519 75887.18589700 Rf 7.98128993 6.87141546 0.31207060 88134.73313672 -5856.72710036 -79049.84171769 Rf 8.57675055 8.36059958 1.42879806 1998.63055598 4292.21804762 2993.02837187 Rf 7.02003146 4.75686829 2.80790283 21977.03838503 41492.12864621 -78287.45128102 Rf 8.64755479 5.37673858 3.24346698 14537.09186976 5694.05233754 4101.73973513 Rf 4.63651980 6.81127857 2.37001346 165678.64655496 154683.12158713 -307977.49514515 Rf 5.52256997 8.35542359 3.13280031 27534.89380770 -4478.75333331 18975.20641893 Rf 0.01050241 0.35075060 5.70822996 -27500.52741716 -8025.38786762 5.52309962 Rf 1.65931940 0.83196730 5.70759098 25070.37436051 6452.39031250 -60.55074108 Rf 3.35759679 1.96586327 5.71720309 2351.99868494 1398.94347436 236.69659811 Rf 3.69381132 4.27715629 6.14739781 -2728.06958980 -11176.04482328 -2360.34240952 Rf 2.93322756 0.37376098 7.96815717 -1639.75581947 -13137.71496875 -9196.91652280 Rf 3.11950739 1.83032895 8.99868120 1508.19638887 13035.38200739 9362.63481542 Rf 0.36987832 1.92119311 8.29894625 -39.16440456 -27.32044998 -15.89899354 Rf 1.68266220 4.21040026 8.95961095 -1826.30439337 -1804.48785482 3457.03582340 Rf 5.60141773 -0.39861209 5.41992004 -373.97745146 -511.08362829 -321.89655995 Rf 6.51357635 1.59481341 6.07851542 -122915.58941009 -462098.33414191 438851.95939848 Rf 6.77003025 2.55866665 5.16404671 125048.92941794 454896.20989326 -432831.62521804 Rf 8.81510604 3.93834356 6.55376953 326.93295888 -261.08817258 -260.58884679 Rf 7.25399353 -0.39599059 7.25608782 -1658.95069006 -3827.64871925 -1708.06192829 Rf 8.06718225 1.18295066 8.11734882 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