64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-142.0682267318237 stress="-0.0008431826708448344 -0.0001349191413227695 -0.00010220256071114328 -0.0001349191413227695 -0.0005399651714051174 -4.7690396023646716e-05 -0.00010220256071114328 -4.7690396023646716e-05 -0.0006193560497376675" pbc="F F F" Ti 34.75109792 35.78805895 34.73653496 -4.87259022 0.75721245 -4.65881277 Ti 36.12110963 35.55803576 35.87276583 0.67940737 -3.50858646 -1.45200549 Ti 37.83787737 37.21031345 35.46687040 0.05044610 1.42482048 -0.85383921 Ti 39.42977588 38.96279114 36.00161128 -0.52224171 0.30949180 -0.92882827 Ti 37.33364838 34.99710761 37.11874367 4.29942765 -2.02494020 4.32566140 Ti 38.43601534 36.29186734 39.18528808 0.79703878 -2.04120081 -4.55128962 Ti 35.50189709 37.35763118 36.70401033 -2.20990463 3.53547739 0.70495178 Ti 36.39359563 38.36326969 38.51592615 -5.68006986 -1.51557391 -6.24788159 Ti 39.38251506 35.35469628 34.99118055 -0.52218400 -0.72038290 -0.29328016 Ti 41.16884392 36.21976252 36.30993747 -1.06950906 -0.09026275 0.01268359 Ti 42.55543687 37.08702440 35.10227556 1.19143302 0.98104674 -1.66943885 Ti 43.88429564 38.59190614 36.29442554 -0.13981084 0.14331897 0.87253862 Ti 41.81924675 34.89578770 37.79997585 -0.93532735 -2.24036640 1.56678293 Ti 43.52923534 36.09980408 38.66197116 3.08261419 -1.29885983 -1.85272410 Ti 39.83195981 37.74446872 37.53137187 -2.11439745 -2.22350615 1.37067570 Ti 41.20381410 38.40839490 39.02409212 -3.55550373 6.83094382 -2.99134851 Ti 35.19657233 39.43484941 34.65965997 0.83089962 -0.60995743 1.14030241 Ti 36.57833839 41.41531459 36.02453202 -8.73871447 -9.07750500 4.47811616 Ti 37.44176894 42.26180348 35.13816222 8.05214866 7.45238629 -12.09325078 Ti 37.98910941 43.77962478 36.49340362 0.67332977 2.57780769 2.73698071 Ti 37.33208780 40.42845142 37.89224442 -11.87282405 -0.98507575 -11.79829632 Ti 38.42064627 40.53277397 38.88949240 5.04822301 0.83078534 2.83031851 Ti 34.97822937 41.66716115 37.46774825 -3.54599954 -1.89782830 1.15672536 Ti 35.46500547 43.37938324 38.39566224 1.33980900 1.69413827 1.49797185 Ti 39.61404517 40.68453248 35.04149023 -1.18305147 1.74553475 -3.01536472 Ti 41.65023223 41.60673816 35.77997653 -3.58890982 -3.63255620 2.58259093 Ti 42.64086921 42.47155902 34.86253741 6.75532014 5.69210860 -6.22798717 Ti 43.69949431 44.00287664 36.56094796 -0.68846376 -0.67860171 1.00957800 Ti 42.17568592 40.32042799 37.42790779 -2.14169258 -4.67293119 -1.01196104 Ti 43.31009175 41.31218457 38.68579309 8.60751124 -4.33531773 -3.33565908 Ti 39.97626709 42.11143649 37.21029218 -3.37191436 -0.41839153 0.83317402 Ti 41.34088096 43.33048331 38.24581671 -0.00444072 3.59878197 -1.01538874 Ti 35.20090926 35.73180024 39.73440975 -8.85068754 -2.74630601 -6.10228771 Ti 36.49081654 36.15958587 40.57301433 5.52242830 1.61537978 5.77481936 Ti 37.47883510 38.31986809 39.91596787 -6.93622872 3.69694733 0.87253898 Ti 38.80159094 38.11250406 40.76547696 10.60998674 1.04384109 8.57756105 Ti 37.56827710 34.85599216 42.02444159 0.94513480 -1.12868354 1.35566454 Ti 38.66760704 37.01004206 43.20290813 -7.64900435 -2.95427504 2.52270569 Ti 35.08076631 37.59580609 42.46084693 -10.11450704 -3.24350024 -3.41935069 Ti 36.48830452 38.11177968 42.95192693 6.66880970 2.34530911 3.19488709 Ti 39.69356691 35.03721095 40.30843295 1.41754752 -2.66905266 0.81303877 Ti 40.97631084 36.97390115 40.95110497 -1.20242954 -3.59125474 2.06439957 Ti 42.45407059 37.41834907 39.79361899 7.89836823 -2.71722952 0.47426264 Ti 43.41670414 38.84320996 41.28206521 6.13860121 -0.83146481 -3.68748550 Ti 42.16938312 35.00954357 42.83943670 -1.03623910 0.08773948 -0.57125623 Ti 43.83453420 36.20508877 43.32709200 0.19202405 1.15351607 -0.29558546 Ti 40.32568216 37.33534052 42.96090755 2.08910012 -3.88572911 0.32342386 Ti 41.57259200 38.58377966 43.48793609 -4.61044706 -8.04663678 16.29093877 Ti 35.09688866 39.68133288 40.28173809 -0.83303989 -0.50751996 -0.25069086 Ti 35.86026247 41.66280620 41.64330423 28.10300439 -23.01040284 -19.13384470 Ti 37.35785205 42.03313924 40.50367310 3.31509357 0.84704912 -3.72266560 Ti 38.34152673 43.88780660 41.02974995 1.12793089 1.01871865 0.68918228 Ti 37.84042885 40.06914128 42.98261901 -17.83506613 -18.03837270 -15.18144456 Ti 38.63420169 40.87748057 43.61564686 13.05710636 13.34494495 19.17888677 Ti 34.99226524 42.20313989 42.20921660 -37.01025630 17.81502161 19.94582281 Ti 36.23878985 43.48972956 43.12849214 4.16331005 4.76593737 3.58735433 Ti 39.69157714 40.66726343 39.86813682 11.05863931 1.43949542 7.14949840 Ti 41.26572392 40.69062728 41.75010668 -2.65551358 5.35242749 -5.07059917 Ti 42.51645616 42.32599836 39.70571561 -4.00829091 4.84748389 8.69658916 Ti 44.08802698 43.45651091 41.05068236 0.02551760 -0.24506327 0.40880797 Ti 42.28872369 39.50353876 42.61154471 10.21159418 8.92971045 -4.37144724 Ti 43.61827088 40.99633336 43.74060218 0.63428186 1.55879044 0.33162487 Ti 39.75533356 42.00170909 42.84085782 4.40651083 7.63600337 -3.79355835 Ti 40.67354378 43.70213675 43.95490614 0.50666149 0.51516529 0.22651360