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=164.05455627387047 stress="-711.4148231393251 -48.00360688072817 -135.30179470081998 -48.00360688072817 -854.3892057467382 110.66403916088062 -135.30179470081998 110.66403916088062 -754.3387039112142" pbc="F F F" Ti 0.22086729 -0.01689004 -0.22903346 -6.21519996 -4.24688319 -5.32173035 Ti 1.59933616 0.93572417 0.98055861 -19.79768796 -30.73184011 17.43579151 Ti 2.14715992 2.22516294 0.23402360 -2.88365295 15.06985658 -52.50674287 Ti 2.93229823 3.31172061 1.19084223 15.86173180 30.45056240 18.81949313 Ti 2.29465675 -0.06841967 2.44481085 4.49570754 -11.09795412 12.94259748 Ti 3.85840215 0.98056936 3.89217898 0.71373240 3.10445609 -1.27437074 Ti 0.14633790 3.18034815 2.73408865 -6.47634763 -8.47592547 -12.62239379 Ti 1.55604684 4.07636534 3.99475015 -20.76123386 98.09105592 -52.92985376 Ti 5.57145570 0.62693260 -0.02727203 -23.33308080 -24.74270479 -30.92256150 Ti 6.39037000 1.49879227 1.11441795 15.62566410 12.56567468 41.19004232 Ti 7.56413860 2.23803765 -0.13579737 12.59439746 7.35933664 -17.51684828 Ti 8.67982227 3.56376137 1.36350095 6.26581586 -3.54401695 -0.44875267 Ti 7.81964364 0.29825864 2.95690936 -11.34072951 -8.41893007 -13.33504000 Ti 8.94092265 1.07198747 4.28323834 41.56722054 -18.20812641 -8.48827739 Ti 4.58503916 2.18049354 1.97266471 -1.18192121 1.07495895 4.49667116 Ti 5.68565759 3.28457910 4.20994894 8.60824270 -7.10644714 -10.54548129 Ti 0.10340100 5.31298788 0.02164361 -6.17357411 -4.29579990 -4.09670080 Ti 1.63900191 6.14262195 1.22490470 -7.62464449 -33.00578073 41.42912955 Ti 1.99690030 7.19675187 0.09651729 10.82186284 35.35809010 -41.41007218 Ti 3.61643991 8.32327578 1.40123177 -66.61811072 44.07186232 -44.82260969 Ti 2.95366604 4.88968876 2.71888199 -20.89902047 -15.17843669 -17.42836535 Ti 4.18297782 5.79320854 3.39174556 32.36106736 18.52605736 16.79095952 Ti 0.34278350 7.83814538 2.63905551 -5.84855031 -16.84184448 -30.02989727 Ti 0.60366252 8.66349090 4.11824152 5.29620113 17.30784922 31.14804434 Ti 5.26176311 5.27927672 -0.22400553 -2.55270955 -1.31404925 -1.51583985 Ti 6.60365422 6.12475624 1.46651109 -20.19948425 25.56167840 -18.78464736 Ti 6.67119966 8.29253646 -0.21778446 -2.05158651 -0.62942191 -0.47762020 Ti 8.57559210 8.55058575 1.17451505 0.51843264 -0.83534378 1.89710964 Ti 7.58087455 5.09122498 2.35935114 16.04644659 -20.85979997 23.23087793 Ti 8.97462727 6.11272182 3.87984742 3.04641584 0.56758434 2.31088318 Ti 4.66448343 7.68403127 2.11226018 66.62878442 -39.66689304 41.33328552 Ti 5.97555741 8.31914392 3.89352680 -30.55102399 13.63256780 -16.49287551 Ti -0.22954640 0.28866239 4.68786656 -9.46076022 -8.93358127 -5.39791390 Ti 1.11803101 1.55239207 5.36469048 -2.70283811 -4.61186913 8.28645627 Ti 2.00297454 2.99791377 4.62151619 54.87471837 -86.27227879 51.14726496 Ti 3.91377719 3.51894432 6.34725891 -63.64328742 -66.97674680 71.66654271 Ti 1.72084025 0.30962604 7.02044147 1.44395332 -3.75340248 6.03133575 Ti 4.08450338 0.75571598 8.58475277 -18.47484806 -44.28232253 29.20434195 Ti -0.00344088 2.96978731 7.51668654 -14.20222272 -11.03575986 -12.61652253 Ti 1.22422232 3.91950201 8.54655608 -13.80915435 -14.69855988 28.65544184 Ti 4.08532250 0.00206044 5.83625574 0.48996715 -3.48209309 4.89369039 Ti 6.48837336 1.00831489 6.43404765 -38.69894256 54.96399242 -26.54089282 Ti 7.84911873 2.01595790 5.07449325 -32.05115478 16.23936990 8.63103544 Ti 8.60556472 3.49425818 6.03735392 6.46819986 14.34581583 9.14146691 Ti 7.20384740 -0.14918067 7.03810700 35.87706503 -58.44546273 30.45299150 Ti 8.75567948 0.58042468 9.03850275 -0.62270721 0.47144216 -0.75592741 Ti 4.60939942 2.00409575 7.77385137 18.42376892 39.53299528 -23.90706958 Ti 5.88981588 3.99050463 8.64455433 9.99621307 -8.06107863 -1.72930980 Ti -0.16713376 4.50987893 4.48578789 -24.16997745 10.37967541 11.59330145 Ti 1.08758896 6.54075235 6.27599980 0.64049442 -4.71189273 -2.00987717 Ti 2.82350393 7.21827495 4.80335328 -15.44256157 -20.38520341 -22.93764804 Ti 3.63834321 8.28337470 5.87827378 15.04905510 23.35484182 21.40060096 Ti 2.36102597 4.94186987 7.87644269 26.40143604 25.54363366 -17.18623185 Ti 4.48039759 5.39396702 8.96640764 -6.92842641 9.19878941 3.46947550 Ti -0.14980647 7.97085593 7.41342367 -12.54020128 1.16689871 -4.23517628 Ti 1.40009545 8.42893138 8.60183795 9.88392110 2.14634944 6.50250501 Ti 4.60146438 4.30457994 5.50975364 52.42574158 76.03445578 -65.50007275 Ti 5.89974943 6.22892384 6.12165250 21.91223344 -50.95727578 -69.18535406 Ti 7.34497277 7.80178516 4.71375535 33.12567990 -10.58678444 19.64424878 Ti 8.84947997 8.91585207 6.75724536 -1.37149350 -1.49008971 0.39878523 Ti 7.43376557 5.85345170 7.38498733 8.43991813 -5.87999379 1.88847152 Ti 8.66153064 6.54291660 8.96495890 3.80961966 3.15976911 5.06775570 Ti 5.39757659 7.11536967 7.13716159 -31.75859370 54.89427068 62.27106978 Ti 5.86157597 9.04079721 8.69789396 0.67201929 -0.40929735 -0.39898989