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=86.42772854190994 stress="-0.0014357732534635728 9.036426503649729e-06 -0.0006258813739248902 9.036426503649729e-06 -0.0013262354111979134 -6.0754532005590604e-05 -0.0006258813739248902 -6.0754532005590604e-05 -0.001359353392557729" pbc="F F F" Ti 34.52921229 34.99763445 35.16020609 -18.59496634 -21.71429082 -16.32800260 Ti 35.43917735 36.05083368 35.96504923 20.26010327 21.64628271 16.50977794 Ti 37.57995544 37.76574532 35.62890251 -11.02316224 -24.07077375 -8.48885964 Ti 38.24215039 39.17808828 36.19097811 22.31055798 9.91420202 -1.48637484 Ti 37.94510375 34.77136853 37.18684457 -1.47256771 -0.03231168 -1.27113959 Ti 39.14444442 36.30997273 38.45133390 -50.71977140 -21.76897703 18.69534207 Ti 34.80755285 37.36081391 37.93840934 -1.82136471 -0.31457918 0.15999026 Ti 36.69035747 38.78091681 38.68145323 11.32424977 11.18958702 -24.81505336 Ti 40.32884444 34.89395954 35.46814354 -1.66266942 0.67967843 -0.24275088 Ti 41.70571755 36.93741709 36.60835604 5.12115979 2.23109495 -4.98708987 Ti 43.24764988 37.75224722 35.13178005 -0.40002120 -9.27903331 -4.83698332 Ti 43.49305526 39.55396351 35.80959118 2.34961478 9.11384431 2.04547381 Ti 42.09890358 34.83364994 37.22414994 1.24199009 -2.83255054 1.94267399 Ti 43.74181877 36.19243476 38.97725322 3.64955075 -3.54031934 -2.53760406 Ti 40.12248796 37.08068643 37.79296592 11.91432608 15.45747169 -47.42380691 Ti 40.94864252 37.88168546 38.86913300 1.95143157 26.75208027 12.29893047 Ti 35.01058277 40.38034653 35.38425277 -7.78487345 -3.08989474 -5.83020413 Ti 36.49993016 40.84152891 36.52539362 -50.43655777 46.68696590 -44.02232786 Ti 37.71625339 42.50269757 35.16033642 -5.22304811 -3.96728486 -3.38018400 Ti 39.21818591 43.59308036 35.99780063 -2.49156632 22.00443209 -11.23281851 Ti 37.28292570 40.24321425 37.21177767 47.94161031 -30.04074125 59.65744331 Ti 39.57280947 40.35244939 38.19677200 -19.10073248 -0.21316055 -50.75258819 Ti 34.96482053 42.32815384 37.58672727 -2.57477098 -2.13524893 -0.09589013 Ti 36.33175494 43.86053489 38.42181645 2.46287234 2.35847652 1.25288847 Ti 40.06835622 39.59947595 34.55747661 0.92780827 -0.06654256 0.05476299 Ti 41.64525894 41.29506684 35.88682156 -22.01059896 -30.11521029 12.86872367 Ti 42.47761206 42.47814922 35.34116750 2.90130267 -15.19504322 -46.19184761 Ti 42.89296094 43.54195466 36.14645298 16.89377908 44.36911192 34.84761342 Ti 42.69635499 40.17857095 37.85564770 -8.18370618 -9.43937177 -8.53640652 Ti 43.51883187 41.16080279 39.17032358 48.52440752 -28.93877026 -13.07456715 Ti 39.78842020 42.34147218 36.98124346 5.38006486 -19.77217131 10.50575165 Ti 40.71645987 43.33306564 38.57444440 1.80314176 2.42179318 3.59241923 Ti 34.64916948 34.82439709 40.09340871 -1.86128644 -1.61992958 -2.04870639 Ti 36.11136847 36.21381295 40.90681507 -1.66660787 -2.91450545 7.85273360 Ti 36.77277166 37.42732094 39.59294663 6.77890963 -18.37848965 9.12974083 Ti 39.00878448 38.25996724 40.87318784 -13.30028247 2.82336958 -31.84027718 Ti 37.36144520 34.72866805 42.12758716 1.81318250 -0.28255399 0.93705257 Ti 39.00556639 36.69096640 43.75019554 -2.31514535 -4.11574802 2.79371528 Ti 34.89377634 37.91177341 42.40019835 -27.20167728 -16.65570593 -31.26069211 Ti 35.83038615 38.49235299 43.41847990 28.92299461 16.73374853 29.45278837 Ti 40.45675865 35.44070273 39.37228415 10.66986660 -11.52523219 8.96465724 Ti 41.21135882 35.85296040 41.60239068 -110.31111418 52.33838434 -57.66663735 Ti 42.31365524 37.42339262 39.79186644 12.63359223 -1.03652857 13.40576430 Ti 44.05629458 37.83142764 41.26455993 2.82405915 -1.97653459 0.27189276 Ti 42.02688392 35.47212270 42.04471943 109.19125707 -50.79374273 58.53926854 Ti 43.80660546 36.48185598 43.52568244 -0.28488373 0.67619500 0.46840403 Ti 39.61385931 38.09173594 42.32234874 5.61921390 -0.93830924 21.45994989 Ti 41.23571015 38.35630716 43.32070320 9.35915978 0.47916514 6.34735499 Ti 35.64622377 39.77686578 39.69004335 -16.53251294 0.55828396 5.83140853 Ti 36.19482453 41.39230093 40.46428890 -4.08300693 11.05180840 9.57165141 Ti 37.69350587 41.87350497 39.28338931 7.51522621 2.40276237 -4.47265374 Ti 38.04798967 43.86854378 41.33448649 -0.79565326 1.40545051 -2.39876607 Ti 37.41239112 40.20263103 42.01887964 1.21068283 -1.03957969 1.46443059 Ti 39.53164406 41.45912152 43.74232312 -1.09985346 -8.18792676 10.64540467 Ti 34.74802079 43.04987285 42.13155044 -3.71083297 -1.72063822 -3.54748948 Ti 36.51645162 43.57779881 43.18003676 4.44538904 0.24624227 3.55489033 Ti 40.10471390 40.30436573 39.49172646 20.94051559 -0.61668384 51.54253587 Ti 41.47355317 40.53294956 41.64452488 -23.77201485 17.19879242 -1.09682147 Ti 42.56013070 41.98699448 39.70767338 -47.07000602 30.05727812 18.81375430 Ti 43.59896024 43.27368407 40.77264710 4.25317180 6.18938873 6.13738869 Ti 42.80170100 39.59262340 41.76556886 23.16281589 -13.77045105 1.88579612 Ti 43.12350088 41.75190642 44.06925135 -1.15104177 -0.45025363 -1.59273133 Ti 39.42546795 42.15900657 41.98796284 0.44819716 3.20433354 -11.97523594 Ti 40.80496746 43.27167394 44.15526365 1.91009194 2.35886461 -0.06786399