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=-39.231890672121864 stress="-359.79539510382 -29.16558748949455 -27.402220944179476 -29.16558748949455 -305.3907598395517 -16.26453599387446 -27.402220944179476 -16.26453599387446 -361.9674017142124" pbc="F F F" Ti 0.28435500 0.48616346 -0.05228330 -5.66423981 -6.53931054 -7.76865470 Ti 1.16051063 1.31418477 1.49971651 -6.71989341 13.03655601 -6.31611435 Ti 1.60737556 2.34037753 -0.13471841 4.46655120 7.67300502 -6.94241475 Ti 3.57461244 3.54989673 1.71826160 7.51732946 -6.50257135 -10.20790582 Ti 2.20774313 0.43348244 2.29459957 22.35684315 -19.77931453 16.86660118 Ti 3.84210523 1.90162908 3.33910862 -16.36453641 -7.65846440 14.16901541 Ti -0.38712584 2.12859478 2.06691485 -12.65405361 7.25376864 5.05458445 Ti 1.13664823 3.95805364 3.40910470 -17.80141380 -14.91677217 -1.40411019 Ti 4.15837478 0.32707830 -0.31441893 -0.71509083 1.29368232 1.44080489 Ti 5.98142533 1.31544699 1.63350073 8.86460176 -15.03753212 -26.01455335 Ti 7.65944481 2.70881637 -0.12408034 -6.86931018 -3.78205813 -3.25221037 Ti 9.04714913 3.74291084 0.90503041 7.93033360 1.79137444 1.13894041 Ti 7.05403308 0.12092295 2.51882052 7.95616179 -10.78143682 6.42426898 Ti 8.51142469 1.55519110 3.71141301 1.67258640 0.98333610 -0.39958721 Ti 5.20609579 2.42647898 2.42162521 0.97623863 26.40799518 3.28157725 Ti 6.20568939 3.53156831 3.82895218 -11.02709090 15.16869452 -14.89261177 Ti 0.12584043 4.98425681 0.00203242 -2.55758982 -2.80128167 -2.35103362 Ti 1.46562791 5.84696809 1.40199409 -3.81712473 10.23104204 -5.19098826 Ti 2.16068129 7.85760404 0.46522721 -9.53472288 -7.95966262 -3.93899648 Ti 3.50439459 9.05820902 0.96963622 10.19611039 8.33672116 4.84250242 Ti 2.31779527 4.60320685 2.44151616 14.23833298 8.98077853 -0.95534109 Ti 3.02392377 6.57263107 3.57115390 0.76146940 1.10767906 0.50234931 Ti -0.07989989 7.70988817 2.23334514 -12.11430813 -9.45808410 -10.29906892 Ti 1.08168652 8.61354409 3.25203356 12.04590395 9.98916487 6.35899598 Ti 5.19570201 4.53952467 -0.14760779 0.57726473 -0.80168123 0.12826256 Ti 6.15469458 6.56841281 1.19751650 -1.57052875 -2.27136562 2.94041055 Ti 7.36382324 6.87434606 -0.49878402 3.24802670 0.11687605 -3.61492871 Ti 8.94149220 8.80959378 0.66515504 -1.12114369 -1.25422651 0.92889238 Ti 7.90565462 4.73902891 2.36230136 -8.18335147 -4.44831692 -0.42087640 Ti 8.96555617 6.21437293 3.13256270 5.03210890 6.62301746 2.10141433 Ti 5.28008281 7.87022038 2.73178312 -8.05994477 -7.92077875 -5.01641953 Ti 6.19385864 9.12880905 3.77184792 6.81210285 9.04715355 8.16845574 Ti 0.01098745 -0.06736727 5.24373337 -2.35168189 -1.51903115 -3.52808339 Ti 1.33854733 1.00784153 6.50522960 -14.73964053 14.22429119 -23.83480381 Ti 2.02038785 2.73175011 4.84018430 -1.57597936 -8.50239673 0.12550651 Ti 3.24964592 3.92830891 5.91479208 -15.95078138 -24.70524685 8.33736504 Ti 2.26580741 0.33401109 7.59411349 19.94035546 -15.63685038 22.96825485 Ti 3.92747268 1.69729167 8.69046025 -11.92523990 -6.64252866 8.71017512 Ti 0.43538863 2.42628620 7.79194278 -3.63294479 1.21436573 1.00597057 Ti 1.49364830 4.14090109 8.80800575 -34.62614211 -1.96415688 37.74866884 Ti 5.43454617 -0.09696849 4.70776140 -0.44709325 0.94911894 -0.32206492 Ti 6.18450067 1.24880483 6.86571896 5.38443406 -8.36919672 -6.13368223 Ti 7.04262288 2.80762025 5.07996491 11.15716749 -10.20745621 20.15028533 Ti 8.94602018 3.94325488 6.29745762 1.70003334 -0.50530970 -0.60932602 Ti 8.03508840 -0.06875353 7.56754574 -1.64010897 -5.39134970 -6.16362360 Ti 8.66475765 1.15284988 9.05281345 1.46255301 6.03713924 5.20343191 Ti 5.23515741 2.56399505 7.79674882 -1.59246414 3.70122265 -12.71243794 Ti 5.88433401 3.94919299 8.69635628 2.63127296 11.87655760 12.65158391 Ti 0.67451972 4.76742971 4.97593381 -5.89852061 7.78681871 12.12229746 Ti 1.62458466 5.88213332 6.70906900 -1.46557586 5.63956297 0.04813964 Ti 1.66035934 8.05232367 5.27390908 -2.47837738 -2.49117341 3.08062831 Ti 3.48293758 9.10316730 5.95970814 3.83110229 0.38545362 1.40531056 Ti 2.50842636 4.25327618 7.79763519 35.71015094 -0.08904800 -29.08395941 Ti 3.88920620 6.06768009 8.36367604 -3.61232525 -2.14169481 3.15674928 Ti -0.07993774 7.93518579 7.87054360 -13.07085387 -3.39054871 -14.21244091 Ti 1.21545013 8.17000700 9.07894161 15.59280106 1.53973078 12.10999881 Ti 4.24896834 5.03673696 5.47401305 24.37910168 26.31145159 -10.17723913 Ti 6.71366766 5.89764578 6.54368674 -16.12244675 21.38421744 -31.63746439 Ti 7.69261413 7.20040257 4.99183725 -0.34694437 -0.06856711 -1.80963991 Ti 8.11594790 9.05748457 6.42146842 -1.06086478 0.26661171 1.33800681 Ti 7.28826046 4.99400789 7.60374949 9.95349745 -30.77109316 22.17800822 Ti 8.49859303 6.21763961 8.36643570 8.57898535 9.33056491 5.52821530 Ti 5.33765059 7.24136734 7.52698724 1.82972767 -0.46955329 -7.38963063 Ti 5.44021995 8.81317802 8.75271136 0.50917971 6.09010690 4.38453950