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=164.05468692693248 stress="-711.40344326694 -48.00743473106979 -135.29724393397697 -48.00743473106979 -854.3787868265294 110.65727732834958 -135.29724393397697 110.65727732834958 -754.3311111089031" pbc="F F F" Ti 0.22086729 -0.01689004 -0.22903346 -6.21520438 -4.24687379 -5.32171644 Ti 1.59933616 0.93572417 0.98055861 -19.79745256 -30.73117260 17.43539083 Ti 2.14715992 2.22516294 0.23402360 -2.88394547 15.06921450 -52.50642658 Ti 2.93229823 3.31172061 1.19084223 15.86152071 30.45085933 18.81956258 Ti 2.29465675 -0.06841967 2.44481085 4.49574294 -11.09795214 12.94266098 Ti 3.85840215 0.98056936 3.89217898 0.71365482 3.10452456 -1.27446618 Ti 0.14633790 3.18034815 2.73408865 -6.47638815 -8.47609613 -12.62253356 Ti 1.55604684 4.07636534 3.99475015 -20.75901999 98.08626994 -52.92715541 Ti 5.57145570 0.62693260 -0.02727203 -23.33316348 -24.74282980 -30.92266039 Ti 6.39037000 1.49879227 1.11441795 15.62587190 12.56577805 41.19006021 Ti 7.56413860 2.23803765 -0.13579737 12.59424541 7.35919197 -17.51691785 Ti 8.67982227 3.56376137 1.36350095 6.26598861 -3.54390893 -0.44860576 Ti 7.81964364 0.29825864 2.95690936 -11.34063834 -8.41882429 -13.33491954 Ti 8.94092265 1.07198747 4.28323834 41.56669000 -18.20782747 -8.48814894 Ti 4.58503916 2.18049354 1.97266471 -1.18173191 1.07485088 4.49680053 Ti 5.68565759 3.28457910 4.20994894 8.60795823 -7.10623095 -10.54522293 Ti 0.10340100 5.31298788 0.02164361 -6.17401885 -4.29600041 -4.09710541 Ti 1.63900191 6.14262195 1.22490470 -7.62458957 -33.00676784 41.43075760 Ti 1.99690030 7.19675187 0.09651729 10.82241141 35.35936180 -41.41128156 Ti 3.61643991 8.32327578 1.40123177 -66.60951844 44.06644767 -44.81675825 Ti 2.95366604 4.88968876 2.71888199 -20.89908042 -15.17858709 -17.42859931 Ti 4.18297782 5.79320854 3.39174556 32.36113174 18.52605995 16.79094374 Ti 0.34278350 7.83814538 2.63905551 -5.84855444 -16.84176148 -30.02974776 Ti 0.60366252 8.66349090 4.11824152 5.29621903 17.30780031 31.14789584 Ti 5.26176311 5.27927672 -0.22400553 -2.55276171 -1.31405989 -1.51585351 Ti 6.60365422 6.12475624 1.46651109 -20.19939132 25.56169836 -18.78467456 Ti 6.67119966 8.29253646 -0.21778446 -2.05156534 -0.62942522 -0.47775156 Ti 8.57559210 8.55058575 1.17451505 0.51846699 -0.83530447 1.89712894 Ti 7.58087455 5.09122498 2.35935114 16.04651660 -20.85978258 23.23102113 Ti 8.97462727 6.11272182 3.87984742 3.04640511 0.56747784 2.31085979 Ti 4.66448343 7.68403127 2.11226018 66.62002369 -39.66142861 41.32743375 Ti 5.97555741 8.31914392 3.89352680 -30.55123825 13.63251623 -16.49291043 Ti -0.22954640 0.28866239 4.68786656 -9.46071303 -8.93360653 -5.39790603 Ti 1.11803101 1.55239207 5.36469048 -2.70248580 -4.61134898 8.28626090 Ti 2.00297454 2.99791377 4.62151619 54.87238531 -86.26815198 51.14487915 Ti 3.91377719 3.51894432 6.34725891 -63.64063416 -66.97377707 71.66341379 Ti 1.72084025 0.30962604 7.02044147 1.44393464 -3.75332025 6.03118965 Ti 4.08450338 0.75571598 8.58475277 -18.47463896 -44.28177739 29.20398562 Ti -0.00344088 2.96978731 7.51668654 -14.20219348 -11.03578925 -12.61656921 Ti 1.22422232 3.91950201 8.54655608 -13.80906351 -14.69848399 28.65541542 Ti 4.08532250 0.00206044 5.83625574 0.48993136 -3.48214729 4.89389037 Ti 6.48837336 1.00831489 6.43404765 -38.69996467 54.96540209 -26.54158996 Ti 7.84911873 2.01595790 5.07449325 -32.05065217 16.23916787 8.63066721 Ti 8.60556472 3.49425818 6.03735392 6.46818160 14.34580025 9.14142774 Ti 7.20384740 -0.14918067 7.03810700 35.87800331 -58.44704093 30.45374775 Ti 8.75567948 0.58042468 9.03850275 -0.62265209 0.47144477 -0.75588308 Ti 4.60939942 2.00409575 7.77385137 18.42348721 39.53246206 -23.90677525 Ti 5.88981588 3.99050463 8.64455433 9.99636883 -8.06124129 -1.72931974 Ti -0.16713376 4.50987893 4.48578789 -24.17020286 10.37979399 11.59350239 Ti 1.08758896 6.54075235 6.27599980 0.64045214 -4.71186622 -2.00984057 Ti 2.82350393 7.21827495 4.80335328 -15.44224578 -20.38473262 -22.93728328 Ti 3.63834321 8.28337470 5.87827378 15.04885438 23.35439411 21.40026524 Ti 2.36102597 4.94186987 7.87644269 26.40134555 25.54355174 -17.18609453 Ti 4.48039759 5.39396702 8.96640764 -6.92861583 9.19897201 3.46942138 Ti -0.14980647 7.97085593 7.41342367 -12.53980112 1.16698153 -4.23486555 Ti 1.40009545 8.42893138 8.60183795 9.88356283 2.14625701 6.50223225 Ti 4.60146438 4.30457994 5.50975364 52.42350757 76.03133283 -65.49714103 Ti 5.89974943 6.22892384 6.12165250 21.91225396 -50.95736773 -69.18530458 Ti 7.34497277 7.80178516 4.71375535 33.12570427 -10.58683636 19.64425146 Ti 8.84947997 8.91585207 6.75724536 -1.37149488 -1.49001029 0.39877340 Ti 7.43376557 5.85345170 7.38498733 8.43974942 -5.88002543 1.88827703 Ti 8.66153064 6.54291660 8.96495890 3.80969479 3.15978903 5.06790382 Ti 5.39757659 7.11536967 7.13716159 -31.75865294 54.89432270 62.27107389 Ti 5.86157597 9.04079721 8.69789396 0.67200956 -0.40936613 -0.39906561