108 Lattice="12.116084398215978 0.0 0.0 0.0 12.116084398215978 0.0 0.0 0.0 12.116084398215978" Properties=species:S:1:pos:R:3:forces:R:3 energy=-441.991866633023 stress="-0.005161594643227319 -0.0005464282240558207 0.00017053831763894574 -0.0005464282240558207 -0.004383527802658002 0.00030935343646741804 0.00017053831763894574 0.00030935343646741804 -0.004646648697117904" pbc="F F F" Ti 0.03313061 0.02736639 0.02403841 0.74475486 0.71720780 0.77336067 Ti 2.01748508 2.01853964 0.01558762 -0.00427850 -0.16179500 -0.53500102 Ti 2.05176317 0.01266189 2.03028204 -0.23897523 -0.48680110 -0.24299126 Ti 0.03103842 2.02672569 2.00889083 -0.59716387 -0.22093959 -0.15071302 Ti 4.06487609 0.03052384 0.01338208 -0.16571243 0.19659681 0.21860659 Ti 6.02588465 2.04443440 0.02714585 0.28544894 -0.25602803 -0.62573692 Ti 6.02971802 0.03335631 2.04893959 0.49562522 -0.67005318 -0.34043606 Ti 4.05416289 1.99525770 2.05055409 -0.24362368 0.27637817 -0.24324315 Ti 8.13092428 0.03133393 0.00764290 -0.18025634 0.51325818 0.49824498 Ti 10.09250583 2.05243108 0.01020578 -0.29862236 -0.16424461 0.46753348 Ti 10.10552306 0.00297260 1.98196869 -0.51750392 0.56986070 0.09223718 Ti 8.07302039 2.00739053 2.01804936 0.40676113 -0.19703815 -0.08763384 Ti 0.01789253 4.03863316 0.00032480 0.30720990 -0.04720096 0.39288888 Ti 2.01597860 6.02723483 0.00810367 -0.07635454 0.22831955 -0.44396464 Ti 2.05787000 3.98414282 2.03900579 -0.27876812 0.42497286 -0.18831250 Ti 0.02716531 6.09555982 2.00780772 -0.42323157 -0.26190766 -0.04777340 Ti 4.04194237 4.07804203 0.02486496 -0.15685370 -0.51471573 -0.67973068 Ti 6.01886333 6.04032303 0.03234570 0.45627958 0.24182143 -0.67454164 Ti 6.07107624 4.01087280 2.02945810 -0.05776239 0.21673846 0.07452050 Ti 4.04391686 6.04071023 1.98674577 -0.18317160 0.12568778 0.49612447 Ti 8.11614806 4.00563459 0.01666414 -0.10173012 0.23166370 -0.44419152 Ti 10.12394944 6.02937785 0.02038108 -0.42053582 0.10413823 0.27787246 Ti 10.10859098 4.06940880 2.02103427 0.35520076 -0.17592029 0.02136252 Ti 8.04102741 6.07971374 2.04478777 0.35863667 -0.17399037 -0.23170276 Ti 0.03300813 8.04191136 0.02266400 0.29682440 0.24521378 0.32379034 Ti 1.99212142 10.06716383 0.03761080 -0.08612645 -0.21276163 0.32894706 Ti 1.99086959 8.11124660 2.02527900 0.16689023 -0.07670899 -0.17768107 Ti 0.01778961 10.12697938 2.05790388 0.35977176 -0.47925112 -0.16727831 Ti 4.02224826 8.13325772 0.03843999 -0.06519367 -0.20222707 -0.63384031 Ti 6.04217248 10.09863808 0.01313356 0.21758047 -0.38360071 0.34411730 Ti 6.02575561 8.06509884 2.04920343 0.32747613 0.10671654 -0.36245245 Ti 4.04662632 10.09410959 2.01916094 -0.02342095 0.64101095 -0.00033385 Ti 8.10042220 8.06509506 0.00911990 0.00306910 0.18906906 -0.38372118 Ti 10.10133052 10.09868963 0.03529670 -0.84131064 -0.85000202 0.85393701 Ti 10.08924760 8.03829722 2.00336392 0.43236126 0.28742399 -0.00101136 Ti 8.06408630 10.06133633 2.02808803 0.23229893 0.45941123 -0.37198095 Ti 0.03231942 0.00705541 3.98974922 0.30854078 0.30338418 0.09808904 Ti 2.00323306 2.03714733 4.05501626 0.09244573 -0.35128448 -0.01644990 Ti 2.05540035 0.00946077 6.07818074 -0.30483813 -0.61352935 -0.21686432 Ti 0.03320881 2.04009999 6.03777713 -0.59845404 -0.23191718 0.01487548 Ti 4.07471432 0.02280944 4.02915181 -0.36734909 -0.55317967 0.19944862 Ti 6.05550562 2.06440460 4.03652223 0.07661938 -0.19527103 0.19962320 Ti 6.02508565 0.00852543 6.04356987 0.03435405 -0.58644840 0.11277858 Ti 4.02818320 2.04210538 6.09387461 0.06594750 -0.16444076 -0.18846333 Ti 8.09312477 0.02411461 4.06146609 0.13358030 -0.48728704 -0.19260486 Ti 10.11659783 2.01270205 4.04495403 0.33549742 -0.19019287 -0.21751227 Ti 10.12331459 0.01409579 6.05920208 -0.42108994 0.37754400 0.13587398 Ti 8.03995633 1.98916590 6.08076713 0.37354357 0.24658086 -0.20936795 Ti 0.02107762 4.07856322 3.99527334 -0.47367309 -0.00675440 0.15753228 Ti 2.06778101 6.09424862 4.05290589 -0.27484442 -0.28904544 -0.33685790 Ti 2.05929384 4.06347330 6.04881332 -0.38197002 -0.06786119 0.30549629 Ti 0.00335828 6.07664322 6.08027709 -0.51077144 -0.10428952 -0.06790728 Ti 4.00650189 4.03186672 4.07493772 0.28918878 0.13144975 -0.39804057 Ti 6.09361364 6.01777494 4.07761307 -0.42943392 0.16997572 -0.37908560 Ti 6.02289943 4.06002322 6.04879755 0.28994694 -0.25816116 0.32453344 Ti 4.03231409 6.05122493 6.10335793 0.01127651 0.14293236 -0.15748534 Ti 8.07774874 4.02407991 4.04655056 0.22509370 -0.14466056 -0.07867687 Ti 10.11624697 6.03594270 4.07708234 0.32593076 0.23620505 -0.13390541 Ti 10.11166746 3.98624031 6.04625302 0.40924140 0.11554730 0.16672315 Ti 8.06740278 6.02042927 6.05567835 0.26197397 0.26363866 0.27288582 Ti 0.03334693 8.08797248 4.02349948 -0.71900529 0.24557651 0.08585831 Ti 2.04591658 10.11573174 4.01188779 -0.19480051 0.41626368 0.22060617 Ti 1.98503871 8.06130835 6.01601072 0.27682782 0.58344734 0.32586526 Ti 0.00744534 10.11633800 6.11084646 0.42311581 -0.41550932 -0.13283761 Ti 4.06332044 8.03481639 4.00704089 -0.14998677 0.23267476 0.27584686 Ti 6.08380219 10.07298621 4.05594487 -0.06548456 0.59805351 -0.03962231 Ti 6.03288505 8.02146188 6.07820042 0.18169320 0.36122958 0.08272897 Ti 4.06661848 10.11978656 6.02635969 -0.22997970 0.24995208 0.07668796 Ti 8.05533121 8.08660321 4.04844218 0.35587396 -0.05224419 0.09993411 Ti 10.07377538 10.10781837 3.99915521 -0.39842710 -0.42386224 0.03459353 Ti 10.06431312 8.11780596 6.06370243 0.38772647 -0.02845677 0.07399223 Ti 8.05469378 10.10436889 6.11084979 0.15456095 0.36266849 -0.08168532 Ti 0.02301880 0.02798836 8.10216723 0.32403150 0.35992132 -0.05364543 Ti 2.00360058 1.97293586 8.05175109 -0.06895287 0.42036823 0.49443267 Ti 2.04498161 0.02156776 10.06604359 -0.25630172 0.34833331 -0.17847037 Ti 0.00245519 2.03592216 10.07400242 0.54805966 -0.02608779 -0.42096391 Ti 4.01739584 0.02903290 8.12308294 0.20333837 -0.64330773 -0.16060969 Ti 6.08448261 2.02175047 8.04711758 -0.13862602 0.17394994 0.43350163 Ti 6.03579145 0.03514728 10.06650107 0.18329758 0.06174361 -0.10221262 Ti 4.06181154 1.99252296 10.12423734 -0.18657235 0.21739863 0.41405530 Ti 8.04069791 0.00873338 8.06893040 0.46262172 -0.64036449 0.17646830 Ti 10.06021770 2.03551638 8.07160615 0.53186848 -0.41532382 0.27298156 Ti 10.06839311 0.00868606 10.10345324 -0.78263767 0.79335544 -0.87472116 Ti 8.08266140 1.97845461 10.09373896 0.10261712 0.10633940 0.43122429 Ti 0.03164725 4.02596704 8.06264561 -0.42534929 0.08585385 0.20970758 Ti 2.04450553 6.09370983 8.07150981 -0.28720158 -0.15817867 0.24592594 Ti 2.03520131 4.07144095 10.07248979 -0.23325915 -0.32968099 0.46666278 Ti 0.01297193 6.05257540 10.11688527 0.36686014 0.07136856 -0.47784037 Ti 4.05606799 4.00662509 8.11765854 -0.24318919 -0.03374949 -0.10326164 Ti 6.02187813 6.03689051 8.10494668 0.18967967 0.16232283 -0.15324535 Ti 6.05266182 4.07537044 10.12882554 0.26902624 -0.45525172 0.45718142 Ti 4.05289173 6.04553694 10.11436507 -0.24972827 0.24826428 0.51409699 Ti 8.10105121 4.06363366 8.09338346 -0.22780340 -0.20119213 0.02896469 Ti 10.10193149 6.04616929 8.10047775 0.42997077 0.25029104 -0.00765776 Ti 10.09170910 4.02903211 10.08666843 -0.36408678 -0.04188652 -0.21932494 Ti 8.05347358 6.09252396 10.08682432 0.36024766 -0.12368405 0.63254069 Ti 0.01493951 8.09104610 8.09226910 -0.32578220 0.24665509 0.30394913 Ti 2.03786027 10.12882486 8.06837823 -0.18835636 0.22265499 0.29260964 Ti 2.02398329 8.06669213 10.11810366 -0.17597953 0.33967444 0.33639439 Ti 0.03942409 10.09750424 10.11957951 0.84954336 -0.83822725 -0.88948007 Ti 3.99961389 8.10854444 8.06829968 0.17005888 0.12964630 0.21068835 Ti 6.02977777 10.13363953 8.08392775 0.17794347 0.15761164 0.28047139 Ti 6.03483484 8.05203222 10.12773663 0.12560376 0.47873301 0.27851511 Ti 4.07636521 10.08662171 10.12491809 -0.22347440 -0.34869671 -0.37274227 Ti 8.04597646 8.05259747 8.10079503 0.27805946 0.45529956 0.09417968 Ti 10.08285946 10.10596331 8.07118046 -0.53979115 -0.58102370 0.21164066 Ti 10.05865655 8.10103561 10.13433729 -0.49968080 0.06333635 -0.64998858 Ti 8.10739532 10.12376390 10.10325444 -0.13451954 -0.66949796 -0.66790603