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=164.05455627387113 stress="-0.002074095694283744 -0.0001399522066493593 -0.0003944658737633234 -0.0001399522066493593 -0.0024909306289992335 0.0003226356826847882 -0.0003944658737633234 0.0003226356826847882 -0.0021992382038227808" pbc="F F F" Ti 35.22086729 34.98310996 34.77096654 -6.21519996 -4.24688319 -5.32173035 Ti 36.59933616 35.93572417 35.98055861 -19.79768796 -30.73184011 17.43579151 Ti 37.14715992 37.22516294 35.23402360 -2.88365295 15.06985658 -52.50674287 Ti 37.93229823 38.31172061 36.19084223 15.86173180 30.45056240 18.81949313 Ti 37.29465675 34.93158033 37.44481085 4.49570754 -11.09795412 12.94259748 Ti 38.85840215 35.98056936 38.89217898 0.71373240 3.10445609 -1.27437074 Ti 35.14633790 38.18034815 37.73408865 -6.47634763 -8.47592547 -12.62239379 Ti 36.55604684 39.07636534 38.99475015 -20.76123386 98.09105592 -52.92985376 Ti 40.57145570 35.62693260 34.97272797 -23.33308080 -24.74270479 -30.92256150 Ti 41.39037000 36.49879227 36.11441795 15.62566410 12.56567468 41.19004232 Ti 42.56413860 37.23803765 34.86420263 12.59439746 7.35933664 -17.51684828 Ti 43.67982227 38.56376137 36.36350095 6.26581586 -3.54401695 -0.44875267 Ti 42.81964364 35.29825864 37.95690936 -11.34072951 -8.41893007 -13.33504000 Ti 43.94092265 36.07198747 39.28323834 41.56722054 -18.20812641 -8.48827739 Ti 39.58503916 37.18049354 36.97266471 -1.18192121 1.07495895 4.49667116 Ti 40.68565759 38.28457910 39.20994894 8.60824270 -7.10644714 -10.54548129 Ti 35.10340100 40.31298788 35.02164361 -6.17357411 -4.29579990 -4.09670080 Ti 36.63900191 41.14262195 36.22490470 -7.62464449 -33.00578073 41.42912955 Ti 36.99690030 42.19675187 35.09651729 10.82186284 35.35809010 -41.41007218 Ti 38.61643991 43.32327578 36.40123177 -66.61811072 44.07186232 -44.82260969 Ti 37.95366604 39.88968876 37.71888199 -20.89902047 -15.17843669 -17.42836535 Ti 39.18297782 40.79320854 38.39174556 32.36106736 18.52605736 16.79095952 Ti 35.34278350 42.83814538 37.63905551 -5.84855031 -16.84184448 -30.02989727 Ti 35.60366252 43.66349090 39.11824152 5.29620113 17.30784922 31.14804434 Ti 40.26176311 40.27927672 34.77599447 -2.55270955 -1.31404925 -1.51583985 Ti 41.60365422 41.12475624 36.46651109 -20.19948425 25.56167840 -18.78464736 Ti 41.67119966 43.29253646 34.78221554 -2.05158651 -0.62942191 -0.47762020 Ti 43.57559210 43.55058575 36.17451505 0.51843264 -0.83534378 1.89710964 Ti 42.58087455 40.09122498 37.35935114 16.04644659 -20.85979997 23.23087793 Ti 43.97462727 41.11272182 38.87984742 3.04641584 0.56758434 2.31088318 Ti 39.66448343 42.68403127 37.11226018 66.62878442 -39.66689304 41.33328552 Ti 40.97555741 43.31914392 38.89352680 -30.55102399 13.63256780 -16.49287551 Ti 34.77045360 35.28866239 39.68786656 -9.46076022 -8.93358127 -5.39791390 Ti 36.11803101 36.55239207 40.36469048 -2.70283811 -4.61186913 8.28645627 Ti 37.00297454 37.99791377 39.62151619 54.87471837 -86.27227879 51.14726496 Ti 38.91377719 38.51894432 41.34725891 -63.64328742 -66.97674680 71.66654271 Ti 36.72084025 35.30962604 42.02044147 1.44395332 -3.75340248 6.03133575 Ti 39.08450338 35.75571598 43.58475277 -18.47484806 -44.28232253 29.20434195 Ti 34.99655912 37.96978731 42.51668654 -14.20222272 -11.03575986 -12.61652253 Ti 36.22422232 38.91950201 43.54655608 -13.80915435 -14.69855988 28.65544184 Ti 39.08532250 35.00206044 40.83625574 0.48996715 -3.48209309 4.89369039 Ti 41.48837336 36.00831489 41.43404765 -38.69894256 54.96399242 -26.54089282 Ti 42.84911873 37.01595790 40.07449325 -32.05115478 16.23936990 8.63103544 Ti 43.60556472 38.49425818 41.03735392 6.46819986 14.34581583 9.14146691 Ti 42.20384740 34.85081933 42.03810700 35.87706503 -58.44546273 30.45299150 Ti 43.75567948 35.58042468 44.03850275 -0.62270721 0.47144216 -0.75592741 Ti 39.60939942 37.00409575 42.77385137 18.42376892 39.53299528 -23.90706958 Ti 40.88981588 38.99050463 43.64455433 9.99621307 -8.06107863 -1.72930980 Ti 34.83286624 39.50987893 39.48578789 -24.16997745 10.37967541 11.59330145 Ti 36.08758896 41.54075235 41.27599980 0.64049442 -4.71189273 -2.00987717 Ti 37.82350393 42.21827495 39.80335328 -15.44256157 -20.38520341 -22.93764804 Ti 38.63834321 43.28337470 40.87827378 15.04905510 23.35484182 21.40060096 Ti 37.36102597 39.94186987 42.87644269 26.40143604 25.54363366 -17.18623185 Ti 39.48039759 40.39396702 43.96640764 -6.92842641 9.19878941 3.46947550 Ti 34.85019353 42.97085593 42.41342367 -12.54020128 1.16689871 -4.23517628 Ti 36.40009545 43.42893138 43.60183795 9.88392110 2.14634944 6.50250501 Ti 39.60146438 39.30457994 40.50975364 52.42574158 76.03445578 -65.50007275 Ti 40.89974943 41.22892384 41.12165250 21.91223344 -50.95727578 -69.18535406 Ti 42.34497277 42.80178516 39.71375535 33.12567990 -10.58678444 19.64424878 Ti 43.84947997 43.91585207 41.75724536 -1.37149350 -1.49008971 0.39878523 Ti 42.43376557 40.85345170 42.38498733 8.43991813 -5.87999379 1.88847152 Ti 43.66153064 41.54291660 43.96495890 3.80961966 3.15976911 5.06775570 Ti 40.39757659 42.11536967 42.13716159 -31.75859370 54.89427068 62.27106978 Ti 40.86157597 44.04079721 43.69789396 0.67201929 -0.40929735 -0.39898989