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=164.0546869269332 stress="-0.002074062516813231 -0.0001399633665628864 -0.0003944526062214996 -0.0001399633665628864 -0.0024909002531385543 0.0003226159688873241 -0.0003944526062214996 0.0003226159688873241 -0.0021992160673729006" pbc="F F F" Ti 35.22086729 34.98310996 34.77096654 -6.21520438 -4.24687379 -5.32171644 Ti 36.59933616 35.93572417 35.98055861 -19.79745256 -30.73117260 17.43539083 Ti 37.14715992 37.22516294 35.23402360 -2.88394547 15.06921450 -52.50642658 Ti 37.93229823 38.31172061 36.19084223 15.86152071 30.45085933 18.81956258 Ti 37.29465675 34.93158033 37.44481085 4.49574294 -11.09795214 12.94266098 Ti 38.85840215 35.98056936 38.89217898 0.71365482 3.10452456 -1.27446618 Ti 35.14633790 38.18034815 37.73408865 -6.47638815 -8.47609613 -12.62253356 Ti 36.55604684 39.07636534 38.99475015 -20.75901999 98.08626994 -52.92715541 Ti 40.57145570 35.62693260 34.97272797 -23.33316348 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16.79094374 Ti 35.34278350 42.83814538 37.63905551 -5.84855444 -16.84176148 -30.02974776 Ti 35.60366252 43.66349090 39.11824152 5.29621903 17.30780031 31.14789584 Ti 40.26176311 40.27927672 34.77599447 -2.55276171 -1.31405989 -1.51585351 Ti 41.60365422 41.12475624 36.46651109 -20.19939132 25.56169836 -18.78467456 Ti 41.67119966 43.29253646 34.78221554 -2.05156534 -0.62942522 -0.47775156 Ti 43.57559210 43.55058575 36.17451505 0.51846699 -0.83530447 1.89712894 Ti 42.58087455 40.09122498 37.35935114 16.04651660 -20.85978258 23.23102113 Ti 43.97462727 41.11272182 38.87984742 3.04640511 0.56747784 2.31085979 Ti 39.66448343 42.68403127 37.11226018 66.62002369 -39.66142861 41.32743375 Ti 40.97555741 43.31914392 38.89352680 -30.55123825 13.63251623 -16.49291043 Ti 34.77045360 35.28866239 39.68786656 -9.46071303 -8.93360653 -5.39790603 Ti 36.11803101 36.55239207 40.36469048 -2.70248580 -4.61134898 8.28626090 Ti 37.00297454 37.99791377 39.62151619 54.87238531 -86.26815198 51.14487915 Ti 38.91377719 38.51894432 41.34725891 -63.64063416 -66.97377707 71.66341379 Ti 36.72084025 35.30962604 42.02044147 1.44393464 -3.75332025 6.03118965 Ti 39.08450338 35.75571598 43.58475277 -18.47463896 -44.28177739 29.20398562 Ti 34.99655912 37.96978731 42.51668654 -14.20219348 -11.03578925 -12.61656921 Ti 36.22422232 38.91950201 43.54655608 -13.80906351 -14.69848399 28.65541542 Ti 39.08532250 35.00206044 40.83625574 0.48993136 -3.48214729 4.89389037 Ti 41.48837336 36.00831489 41.43404765 -38.69996467 54.96540209 -26.54158996 Ti 42.84911873 37.01595790 40.07449325 -32.05065217 16.23916787 8.63066721 Ti 43.60556472 38.49425818 41.03735392 6.46818160 14.34580025 9.14142774 Ti 42.20384740 34.85081933 42.03810700 35.87800331 -58.44704093 30.45374775 Ti 43.75567948 35.58042468 44.03850275 -0.62265209 0.47144477 -0.75588308 Ti 39.60939942 37.00409575 42.77385137 18.42348721 39.53246206 -23.90677525 Ti 40.88981588 38.99050463 43.64455433 9.99636883 -8.06124129 -1.72931974 Ti 34.83286624 39.50987893 39.48578789 -24.17020286 10.37979399 11.59350239 Ti 36.08758896 41.54075235 41.27599980 0.64045214 -4.71186622 -2.00984057 Ti 37.82350393 42.21827495 39.80335328 -15.44224578 -20.38473262 -22.93728328 Ti 38.63834321 43.28337470 40.87827378 15.04885438 23.35439411 21.40026524 Ti 37.36102597 39.94186987 42.87644269 26.40134555 25.54355174 -17.18609453 Ti 39.48039759 40.39396702 43.96640764 -6.92861583 9.19897201 3.46942138 Ti 34.85019353 42.97085593 42.41342367 -12.53980112 1.16698153 -4.23486555 Ti 36.40009545 43.42893138 43.60183795 9.88356283 2.14625701 6.50223225 Ti 39.60146438 39.30457994 40.50975364 52.42350757 76.03133283 -65.49714103 Ti 40.89974943 41.22892384 41.12165250 21.91225396 -50.95736773 -69.18530458 Ti 42.34497277 42.80178516 39.71375535 33.12570427 -10.58683636 19.64425146 Ti 43.84947997 43.91585207 41.75724536 -1.37149488 -1.49001029 0.39877340 Ti 42.43376557 40.85345170 42.38498733 8.43974942 -5.88002543 1.88827703 Ti 43.66153064 41.54291660 43.96495890 3.80969479 3.15978903 5.06790382 Ti 40.39757659 42.11536967 42.13716159 -31.75865294 54.89432270 62.27107389 Ti 40.86157597 44.04079721 43.69789396 0.67200956 -0.40936613 -0.39906561