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=292801.8217166591 stress="-1288858.0762917004 309745.16249623784 -39921.118223302765 309745.16249623784 -1040242.2187944085 82365.98229010601 -39921.118223302765 82365.98229010601 -1220606.175719862" pbc="F F F" Ti -0.24508081 0.86874946 -0.03861520 -899.32426930 -184.11014402 -693.25121864 Ti 1.37358554 1.19893697 1.21597675 -1131.77847404 -962.98282057 3020.75008571 Ti 2.52992745 1.84163335 -0.16319990 2055.92488949 1170.14215661 -2482.19352477 Ti 3.93488066 4.16742030 0.44678661 -3709.64218168 -3640.50167372 -163.07164870 Ti 1.86733238 -0.46293786 2.93076218 -17413.88591492 -12506.90083298 -11266.55903562 Ti 3.05315391 0.38202235 3.70253243 17399.92636269 12224.45225810 11268.08045742 Ti -0.05645596 2.65650902 2.53654351 -259.31293327 -120.35552179 -111.49072810 Ti 1.25543022 4.02171664 3.79584618 10777.44107813 -6886.22526111 -11488.49718295 Ti 4.30206924 -0.13628270 0.05508597 9.49384499 -26.18426198 -1.15906870 Ti 6.50004368 0.84602986 1.47502704 -281246.44531538 336275.27046583 -410270.38247366 Ti 7.17217204 2.83260807 -0.27677693 -8147.56882012 -4421.40294552 -4924.57801029 Ti 8.53553523 3.57483990 0.54468602 8148.37995834 4438.79019058 4915.41964449 Ti 7.10460655 0.12310693 2.35409581 281966.30038761 -337173.35219305 409975.01188453 Ti 8.87047960 1.73570423 3.84842513 544149.56565616 -303174.03927533 -429996.58841939 Ti 5.24482449 2.40436238 2.00798289 -752.66751731 826.68285538 226.80441939 Ti 6.24816463 3.35439172 4.02852997 45279.84773993 -60200.01338166 -20299.39385661 Ti 0.26281695 4.93890649 -0.22426289 -91.34001357 -246.06188058 -125.06637334 Ti 0.98497825 6.87610797 0.77021086 -151576.44428611 -116338.79596198 52221.87294062 Ti 2.05815588 7.70116470 0.40072034 149458.06595747 115946.48614346 -53602.12005698 Ti 3.65845787 8.17842509 1.40102066 -131072.90489036 82472.63676338 -91307.32800505 Ti 2.43643280 5.17536723 1.80767456 -156.44416782 90.05269222 211.74324487 Ti 3.83253823 6.66870727 3.60563688 -1060.97129403 -1649.86586428 2172.49161309 Ti -0.36280945 7.94972905 2.51239659 -145.84612986 47.09146303 31.59855421 Ti 1.77378185 7.95130956 3.75505853 -50319.89089123 13979.58861216 -93273.37089988 Ti 5.31539263 5.39911284 0.42641095 -83749.23419600 -128023.43205931 -10317.60817803 Ti 6.10564047 6.58440216 0.51882317 85908.23892185 130584.75812643 10325.79333653 Ti 7.90731906 7.38537754 0.31037985 -20650.89276627 -14399.71231838 -27736.67890707 Ti 8.83399956 8.01165073 1.44062635 22559.34922986 15245.94978180 27520.35542236 Ti 7.23473616 5.23853987 2.94482234 -3840.16200947 -1893.25403892 -3047.68767439 Ti 8.61169166 5.94710051 3.95437601 4224.76076511 1845.87004908 2661.31619514 Ti 4.69421857 7.54277951 2.12113364 134528.29770741 -80301.34476363 90433.24005821 Ti 6.22434986 8.72503420 4.16246815 -86.70605618 205.34944388 -151.49811867 Ti -0.38711035 0.16883503 4.94701975 -1.64837355 0.55108189 -3.32779177 Ti 1.91423325 1.15719773 6.54149917 -10072.35690998 10385.31980519 -14470.15187882 Ti 2.82966632 2.62344651 4.31110400 405.70925929 -223.11477539 131.46344941 Ti 3.85030574 3.80826774 6.25349718 -7760.48510015 6039.03263463 -4182.27034579 Ti 2.75449048 0.28987428 7.69267523 2127.13458779 -65286.05522652 -31693.28260276 Ti 2.92898432 1.44271164 8.66276758 8344.17171841 54585.65058959 46082.28101435 Ti 0.21536137 2.50816581 6.91684535 -465.08855053 217.00333904 -43.40278041 Ti 1.25276938 3.75959108 8.64681196 61.98594055 78.21179198 145.16527375 Ti 5.39160545 -0.08560855 4.55458616 50.81464542 -17.56464517 28.17171854 Ti 6.47561508 2.06578470 6.02056029 4416.46297325 -3017.43673077 -2687.02091021 Ti 7.96025116 2.24285851 4.56772006 -542669.52493258 302775.16182788 429449.60077187 Ti 8.99589669 3.60404315 6.52673778 18.37427552 26.89171183 32.95948616 Ti 7.07934146 0.14766999 7.72733658 -27.85665323 -56.50163462 -6.39354950 Ti 8.70416833 1.64907658 9.04184227 32.71430885 33.32598473 26.13151794 Ti 5.11716619 2.81988843 6.95494730 2469.11306625 -3479.43752037 7551.33217711 Ti 5.72979729 4.31322300 8.48764032 -2276.87325861 -2188.29093268 1875.59619450 Ti 0.19671557 4.73510331 4.90068184 -46324.86237368 -71359.57669504 -53822.37758331 Ti 0.67533256 5.80477923 5.78778357 34618.20961021 78844.83750786 64824.01577539 Ti 2.46578212 7.75984060 5.03916061 45300.10246018 -15935.74312992 91650.82174729 Ti 4.04102108 8.48655606 5.65867125 4679.20213857 3168.25836238 978.51059624 Ti 2.29529458 5.69237207 7.15494799 281.32376219 -201.50531298 462.74027909 Ti 4.21960995 6.37543592 8.41046335 3959.57461631 -47742.94589110 96726.16731016 Ti 0.05865513 7.44442579 7.83823367 -1006.23456125 -1171.47533575 -858.10423461 Ti 1.18209842 8.78322084 8.82582839 1000.39081895 1186.88014596 874.94823240 Ti 5.36783761 4.51436331 4.41267786 -46402.08712215 59843.75852341 19388.48572056 Ti 5.99506355 6.02620667 5.68948828 -18997.83680889 -14708.07977980 5591.07372881 Ti 7.24518256 7.03652956 5.35142327 19066.13958264 15525.79167076 -4860.39755282 Ti 9.05685834 8.38515357 6.38236316 72.64671964 76.14010011 -5.36515933 Ti 6.95048856 5.53349919 7.70013168 2476.03524983 2279.63133426 -1331.15686867 Ti 8.67897829 7.01680869 8.53973051 92.64006296 41.84426850 83.39517154 Ti 4.16681168 7.02717777 7.09369975 -3610.88525992 47069.73703252 -95664.51989817 Ti 6.57389129 8.79610308 9.06915634 -11.13626443 5.11409445 -1.04348467