256 Lattice="16.339104705537917 0.0 0.0 0.0 16.339104705537917 0.0 0.0 0.0 16.339104705537917" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-1125.9001495871212 pbc="F F F" Ti -0.00924158 0.02793827 -0.03039693 22 0.49061420 0.45738838 0.53475341 Ti 2.01444158 2.05615289 -0.03822302 22 0.02505953 0.01130773 0.06337181 Ti 2.03743603 -0.02549078 2.04360012 22 -0.17017065 -0.05909044 -0.01938898 Ti 0.02546135 2.02808236 2.08208217 22 -0.09286313 0.06129412 -0.16789657 Ti 4.06070188 0.00360360 0.03648312 22 -0.02430919 0.28377440 0.22834204 Ti 6.07943159 2.05932022 0.00927752 22 0.14815599 -0.22338425 -0.06149120 Ti 6.16388167 0.00351503 2.02965245 22 -0.15259402 -0.15188290 -0.21849208 Ti 4.01104399 2.06531228 2.07360131 22 0.24107780 -0.21456992 -0.39713812 Ti 8.23004469 0.02239177 -0.03448670 22 -0.15837400 0.31272210 0.33062372 Ti 10.24511018 2.03479410 0.01668189 22 -0.11047818 0.10677822 -0.16142641 Ti 10.21571389 0.01535576 2.06486304 22 -0.07444267 -0.15526840 -0.17958986 Ti 8.14529318 2.06316255 2.06514500 22 0.29799006 -0.10911792 -0.22610031 Ti 12.23283228 -0.01606693 0.02870638 22 0.07165417 0.21039506 0.16857819 Ti 14.33210746 2.02653503 -0.01272668 22 -0.35030796 0.12698594 0.15156173 Ti 14.33606751 0.03203273 2.01340401 22 -0.27164543 0.10108121 0.15299961 Ti 12.30142694 2.01542634 2.00435614 22 -0.13567221 0.17779371 0.18052615 Ti -0.00745505 4.12015622 0.03478776 22 0.19459092 -0.28626113 0.16484087 Ti 2.05001725 6.08759264 0.03346289 22 -0.06991222 0.31624384 -0.30435531 Ti 2.06163385 4.10247868 2.04812579 22 -0.33881318 -0.23800123 -0.24617308 Ti -0.02077054 6.10235895 2.02461019 22 -0.11221681 0.25636467 0.21878642 Ti 4.11096267 4.08179607 -0.03047489 22 -0.08963397 -0.04614867 -0.08275715 Ti 6.15279437 6.13974536 -0.00435825 22 -0.12270812 -0.19843725 -0.08046548 Ti 6.13038598 4.03608025 2.07745412 22 -0.09445840 0.27812596 -0.25085561 Ti 4.04783463 6.09989219 2.00196557 22 0.32268553 0.14256561 0.12816956 Ti 8.13830602 4.10257827 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0.07363954 -0.16451637 Ti 6.09540516 8.17569035 2.01065021 22 0.09200589 -0.20223917 0.34395595 Ti 4.04617545 10.19353403 2.01780047 22 0.07829431 0.06920378 0.04179289 Ti 8.14693943 8.14912820 0.03700793 22 0.21537693 0.26715554 -0.18265233 Ti 10.23830515 10.25076921 0.00172592 22 -0.18889561 -0.21697224 -0.02724009 Ti 10.23942019 8.14396787 2.02054272 22 -0.17391723 0.26860455 0.19813838 Ti 8.13063147 10.21782577 2.07961638 22 0.20866035 -0.15159629 -0.43860193 Ti 12.25681382 8.20546991 0.01242268 22 0.12841043 -0.10686564 -0.20999079 Ti 14.26021689 10.25318801 0.00897814 22 -0.00907128 -0.07558775 0.14747292 Ti 14.31462162 8.14295193 2.09792133 22 0.03322905 0.03456182 -0.09946593 Ti 12.30917248 10.19312680 2.02959626 22 -0.28351891 0.07299867 0.13571294 Ti -0.01620654 12.25654936 0.02549002 22 0.29325040 0.03214261 0.19250611 Ti 2.03383914 14.30578031 -0.02231329 22 -0.05783457 -0.38677523 0.31704249 Ti 2.02205695 12.22822106 2.03147798 22 0.13678435 0.54019750 -0.13357947 Ti 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0.14385193 0.13362103 -0.13820380 Ti 14.27544988 0.03725207 6.16151992 22 -0.22078753 -0.00439122 -0.07729297 Ti 12.26163031 2.00734234 6.14905470 22 -0.03446051 0.23793727 -0.10662404 Ti -0.00176159 4.11289550 4.12295978 22 -0.18987083 -0.17726760 -0.10439472 Ti 2.04420789 6.08659799 4.07430510 22 -0.24093708 0.31749837 0.12613147 Ti 2.01155202 4.06767655 6.15252672 22 0.16492967 -0.15301260 -0.09184568 Ti 0.01404493 6.14907102 6.15943210 22 -0.23584958 -0.10175646 -0.17298970 Ti 4.06164906 4.11055803 4.06588259 22 0.09955545 -0.18825115 0.34400135 Ti 6.13136287 6.08579252 4.05003766 22 -0.15700378 0.25274388 -0.02612252 Ti 6.09731839 4.06347968 6.13788039 22 0.06072303 -0.03291862 -0.27588958 Ti 4.08081816 6.13885132 6.15897100 22 0.08971249 -0.21445933 -0.13923837 Ti 8.20774348 4.10334833 4.11648529 22 -0.10075912 -0.42367167 -0.14659413 Ti 10.17391754 6.11391420 4.09613870 22 0.26916635 0.18322704 -0.10606343 Ti 10.21883551 4.09691217 6.15848019 22 0.25148172 -0.06987168 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8.18839589 4.11726722 22 0.15784654 -0.19353031 -0.25441824 Ti 10.18938929 10.22493564 4.08294658 22 0.24787743 -0.27215002 -0.16608868 Ti 10.23850926 8.19018052 6.15987813 22 -0.24130937 -0.03820192 -0.03479808 Ti 8.17461147 10.21254746 6.09433502 22 -0.14485565 0.19192769 0.35726047 Ti 12.21386222 8.20193831 4.12124125 22 0.19188614 -0.17648792 -0.37779707 Ti 14.32013907 10.17557571 4.07525419 22 0.23298937 0.21327634 -0.03477854 Ti 14.28702958 8.19565679 6.14537897 22 0.33224844 -0.15573261 -0.07555282 Ti 12.30988566 10.21463649 6.10673267 22 -0.20984793 0.18855092 0.22571320 Ti 0.03377953 12.22024552 4.09584477 22 -0.17028319 0.31264171 0.03207715 Ti 2.05533388 14.29900737 4.11627727 22 -0.09852548 0.04564819 -0.10228457 Ti 2.05982663 12.28688307 6.14847831 22 -0.21491021 -0.13022338 -0.14529108 Ti -0.03764647 14.32088147 6.13840017 22 0.26451957 -0.23782945 -0.12515108 Ti 4.07832974 12.23595419 4.05803396 22 0.01185937 0.14981318 0.00964594 Ti 6.12238589 14.28502140 4.06084915 22 0.00251881 0.08284897 -0.04708147 Ti 6.13823752 12.27139326 6.16800674 22 0.16267980 -0.35123220 -0.33863173 Ti 4.11153226 14.26198229 6.14559306 22 -0.08300195 0.41004341 -0.31796604 Ti 8.19213331 12.23405280 4.06119649 22 -0.33758410 0.36487116 0.10441433 Ti 10.23904349 14.30082326 4.06483203 22 0.03655737 0.14779323 0.00786122 Ti 10.19419707 12.24836587 6.09081429 22 0.24088136 0.20911953 0.26165203 Ti 8.14516889 14.28763526 6.14150418 22 0.22088867 0.16307037 -0.16778731 Ti 12.26165659 12.22110209 4.07492615 22 0.15865714 0.22384753 0.07571496 Ti 14.32012537 14.27885138 4.03439746 22 -0.27252266 -0.20324756 0.11080335 Ti 14.32943233 12.24755524 6.12596897 22 0.05565515 0.08513929 -0.01872544 Ti 12.29299151 14.33176080 6.14072621 22 -0.03961414 -0.13419197 -0.07691478 Ti -0.02259428 -0.00636378 8.17855840 22 0.34104865 0.02659804 -0.01513980 Ti 2.00582440 1.98115347 8.14791332 22 0.23598678 0.07543874 0.10692265 Ti 2.08219737 -0.00170861 10.26642501 22 -0.17560730 -0.16912723 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4.04686779 8.19445155 22 -0.29587192 0.01504670 -0.06351170 Ti 2.01323067 6.11597728 8.13944858 22 0.22842466 -0.09713845 0.16657118 Ti 2.07534796 4.07391443 10.17653215 22 -0.06477889 0.09598844 0.21350669 Ti 0.03695231 6.10936618 10.19980603 22 -0.28886543 0.02018056 0.08334104 Ti 4.10657562 4.07459941 8.14659557 22 -0.26688303 -0.10683169 0.06400615 Ti 6.14989592 6.09352173 8.19610073 22 -0.00045160 0.26442273 -0.31015400 Ti 6.12190425 4.11248837 10.17910159 22 0.10812150 -0.28833829 0.36877897 Ti 4.11084829 6.16232191 10.18311302 22 -0.27223306 -0.17872577 0.13092216 Ti 8.15229083 4.02535476 8.14848778 22 0.06539910 0.17034367 0.21298022 Ti 10.17796787 6.10655750 8.14428321 22 -0.05466615 0.14788105 0.15354047 Ti 10.19655090 4.02778541 10.17465266 22 0.05901856 0.22208705 0.10493067 Ti 8.13643839 6.15315349 10.23852174 22 0.25552077 -0.11333172 -0.09641041 Ti 12.28363905 4.10627475 8.13213907 22 -0.11329623 -0.04474802 0.01405790 Ti 14.26102374 6.14773169 8.18002297 22 0.33092951 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8.17652628 10.18928250 10.27246417 22 -0.15495235 0.08824124 -0.17627300 Ti 12.26030510 8.14037099 8.16237893 22 -0.10430902 0.24314427 0.04152556 Ti 14.32191550 10.20157961 8.19635309 22 0.17353995 0.04480670 -0.20075068 Ti 14.28862286 8.18672328 10.18558881 22 0.25363220 -0.09223096 0.11154810 Ti 12.26826176 10.21468200 10.18280042 22 0.02543692 0.02021241 0.18937703 Ti 0.03190390 12.29382827 8.15572956 22 -0.15072107 -0.11352429 0.10078606 Ti 2.05807484 14.32864043 8.13496824 22 -0.13229154 0.10543425 0.16866079 Ti 2.02039831 12.22321997 10.24760546 22 0.20164251 0.12753115 -0.35058367 Ti 0.01864201 14.30438622 10.23150602 22 0.19190823 -0.23215330 -0.03850552 Ti 4.11446086 12.28271312 8.13411716 22 -0.32071209 -0.16531097 0.34986152 Ti 6.12310572 14.32685143 8.13006927 22 0.11734208 0.26660086 0.39724935 Ti 6.11936299 12.24623441 10.18261605 22 0.02329500 0.28935219 0.27867694 Ti 4.05136299 14.32057083 10.17532777 22 0.07795723 -0.01853543 0.15967635 Ti 8.19855421 12.28831569 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22 -0.03161988 0.11502808 0.24232376 Ti 14.30131575 8.14833333 14.27627754 22 -0.27320409 0.09459020 -0.19953237 Ti 12.23599266 10.22198827 14.32869612 22 0.25331846 -0.09133550 -0.08542454 Ti 0.02160284 12.21757319 12.25987989 22 -0.26919415 0.12539576 0.03640618 Ti 2.02686794 14.25982998 12.24572409 22 0.09489093 0.20595532 0.22953885 Ti 2.05567249 12.22742123 14.27982724 22 -0.08880594 0.13699356 0.21939495 Ti -0.02429073 14.27873618 14.28900626 22 0.52519711 -0.52772034 -0.49763600 Ti 4.06749063 12.24735052 12.27648130 22 0.20260185 0.14703941 -0.28945316 Ti 6.15932211 14.32465471 12.22523164 22 -0.29597253 -0.05650370 0.02278293 Ti 6.12123524 12.21519743 14.29300524 22 0.15520981 0.14607012 0.13028964 Ti 4.12804283 14.25932747 14.31842157 22 -0.10577402 -0.15310378 -0.31458082 Ti 8.14548895 12.23972221 12.27553039 22 0.03939344 0.07355639 -0.12749070 Ti 10.18291367 14.30689095 12.24564731 22 0.22806458 -0.00500647 0.08488265 Ti 10.24249354 12.22565970 14.29706350 22 -0.15368547 0.19714811 0.10051843 Ti 8.15817265 14.26010995 14.26805673 22 0.04621488 -0.17221223 -0.05639104 Ti 12.23321196 12.26123717 12.28183076 22 0.07702589 -0.09202830 -0.18776849 Ti 14.26237834 14.28216650 12.24782072 22 -0.23867047 -0.21438676 -0.16088620 Ti 14.27876678 12.28588236 14.26927937 22 -0.20130645 -0.24579829 -0.19788490 Ti 12.25233713 14.30535301 14.31892255 22 -0.16990741 -0.20912226 -0.29640817