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=-25.3604536953 stress="-0.3281347481768018 -0.1857362171654673 -0.014700382775546276 -0.1857362171654673 -0.32900986749398936 -0.03649327706430948 -0.014700382775546276 -0.03649327706430948 -0.32878746197666153" pbc="F F F" Ti 0.01251597 -0.43405233 0.23125055 -0.27691206 -0.84839981 -0.69459163 Ti 0.99167486 1.30203393 1.62485590 5.89483475 -4.01156477 -2.94735975 Ti 2.22021767 2.42882227 0.06012935 -3.44353713 0.44278905 -5.61460618 Ti 3.31446472 3.67377410 1.39948215 7.14046725 -10.22362254 -4.33163763 Ti 2.86439851 -0.37745181 2.89374367 -6.46344414 -18.02490113 -9.40236278 Ti 3.35537431 0.95644875 3.58370573 5.47970460 18.57121388 7.64363201 Ti -0.33108667 2.09106141 2.77787222 -10.13948360 0.27036704 1.02501179 Ti 1.00470724 3.14896038 3.82660332 0.87005450 2.93631395 3.34405171 Ti 4.62391336 0.18130061 0.46420824 -11.02738581 -4.59389626 -0.34283089 Ti 6.21710492 0.99837539 0.72547304 -7.53184944 -17.65643685 12.51574021 Ti 7.04264789 1.95267778 0.07643925 18.46429994 21.37559407 -14.35794946 Ti 8.54620590 3.94057203 1.22959309 3.53083091 -2.79694433 -1.48833458 Ti 6.77069021 0.06471368 2.95972287 -0.61673196 -0.10591218 1.63985193 Ti 8.60311580 1.58003905 3.86710779 1.60362817 -2.23694424 -3.12038850 Ti 5.58210498 2.32525830 2.33481345 -1.86677711 2.75072440 0.38377547 Ti 5.74924849 3.76654600 4.19479542 7.58509086 1.25581089 -3.61707928 Ti -0.27122237 4.90880530 0.58254576 0.99004953 -0.64671696 0.65089903 Ti 1.67712754 6.97263674 1.20893364 -2.83383438 -13.27145431 12.68325163 Ti 2.24913345 7.92202952 0.06573275 5.86437920 11.02022595 -15.67953589 Ti 4.09793362 8.64599262 1.23918047 -10.24271180 23.16649800 -6.46578191 Ti 2.52000943 4.70578592 2.56637917 -5.43414450 7.14617040 9.48745649 Ti 3.86285940 6.62996921 3.21453301 -2.36621732 -2.45582943 5.57361605 Ti -0.13338812 7.27958553 2.28458290 -4.42347293 -0.09716026 2.22118263 Ti 1.41592506 8.88918200 3.50929072 0.53535626 -0.28864912 -0.75754759 Ti 4.78730258 4.83715790 0.36372212 -7.36142566 -7.41681194 -5.69226007 Ti 6.01240660 5.93254066 0.91417121 2.01384795 8.79596164 -4.11525134 Ti 7.08650163 7.14697157 -0.26796074 3.69834940 4.14205208 -3.79422331 Ti 8.86481510 9.08455095 0.72711720 -0.83753783 -0.79907212 0.45678224 Ti 6.96178825 5.05449431 2.02976704 4.58775483 -5.32985373 11.08420218 Ti 8.83041166 6.32359302 4.06307662 0.15227437 -1.91101223 -0.06629669 Ti 4.85135932 7.41529812 1.66945712 10.00076354 -14.04494285 2.79972763 Ti 6.14391714 8.07357775 3.48873431 -0.58877769 0.97583202 -1.80860935 Ti 0.06555271 0.31577595 4.51626284 -14.22185279 -10.06347392 -16.14258589 Ti 1.00340051 0.92191986 5.55585313 14.32399949 9.84619285 16.27680930 Ti 2.75952489 2.96111631 5.46543266 -18.96749498 -21.41365405 -17.91033014 Ti 3.58112972 3.79163954 6.18171700 8.24093626 -2.15821435 17.01699550 Ti 2.14149769 -0.07708175 7.61138709 -0.20752667 -0.35619686 -0.30111562 Ti 3.64878546 1.53489687 8.69629530 -11.12080298 -8.67391510 10.21048167 Ti -0.11901628 2.89534354 7.57023254 0.19106256 -1.52930216 -2.05416275 Ti 1.01590562 4.15429937 9.17718342 0.47836273 2.09418917 1.13407993 Ti 5.10299683 -0.03163547 5.37156604 -8.50164610 -7.51611842 -2.49796894 Ti 6.34582191 1.19237275 5.82379292 5.22137338 8.75402107 1.33205796 Ti 7.77221949 2.91869983 5.34643243 -7.62491540 -1.16424984 -1.61498680 Ti 9.12283489 3.77776773 6.16501309 8.15722522 6.54542635 5.03747610 Ti 7.31677778 -0.23082253 7.15309958 1.53830505 -2.85432308 2.34995679 Ti 9.06373883 1.05378788 8.67869435 -0.57850643 0.99120710 -0.71720720 Ti 4.70872728 2.42410853 7.80607962 10.87731031 9.38754598 -7.05544408 Ti 6.60603343 4.00949199 8.54273725 -6.95065449 -12.40604599 4.92033333 Ti -0.07290849 5.93911537 4.88761442 -1.99193600 0.10146652 -4.30565510 Ti 1.39954043 5.88547438 6.44068060 -0.23908290 -3.18710498 0.04217716 Ti 2.50641920 7.73411919 5.46070628 -12.82146894 -9.67798235 -8.64700705 Ti 3.66014096 8.58193849 6.17904216 13.05919990 12.68814530 7.76986576 Ti 2.91557061 4.69332565 7.42472124 -2.90682414 3.52885352 14.97639904 Ti 4.21833655 6.24548033 8.49070894 -4.85221387 -6.66738499 11.52380248 Ti 0.45782660 7.56879855 7.46567338 -5.19169904 -10.12955201 -13.46691609 Ti 0.69864466 8.47220840 8.76023407 4.54873829 11.60815465 15.75382877 Ti 4.50374871 4.60761187 5.40069931 7.08645468 19.04308276 -7.49614817 Ti 6.38413039 6.25592154 6.04501545 3.34218278 -9.84371738 -7.39015919 Ti 7.26577352 7.73360583 5.29472773 0.11859524 2.91317837 -2.07087155 Ti 8.69645137 8.94113505 5.84921688 5.27613363 4.58603725 2.81175119 Ti 7.38898356 5.37832058 7.91221134 2.39887985 8.44115775 -5.28589936 Ti 8.47756976 6.53227015 9.07735185 3.77293363 4.80223591 3.90081630 Ti 5.02153045 7.14286596 7.26773649 2.06281559 4.84780850 -6.12443539 Ti 6.21524926 8.76083110 8.33684049 2.52467340 1.37310410 0.81152790