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:Z:I:1:forces:R:3 energy=238158.10251631864 pbc="F F F" Ti -0.03903405 0.35941871 0.41880379 22 -1183.20408589 -857.82793278 -1125.34154510 Ti 1.24705670 1.29022113 1.63907901 22 3246.74427017 -1043.07323355 -763.58499652 Ti 2.42071768 2.64607033 -0.46754913 22 -80.88563695 -84.96630416 -58.35738631 Ti 4.00149359 4.26348647 0.38541130 22 -2575.32379102 -7914.14630541 1985.97828548 Ti 3.13222649 0.05110911 2.84146504 22 -9.67816208 -329.01936287 -235.05228379 Ti 3.37589847 1.75944980 4.27137612 22 48168.29438551 -70518.37746871 -61549.86244724 Ti 0.06580314 2.36694504 2.68821360 22 -2953.18896033 784.35327329 400.89959104 Ti 0.88545441 3.47457031 4.11918666 22 291.80813374 431.89593068 1080.91210398 Ti 4.77074659 -0.21536259 -0.36645565 22 -89.19809774 -131.35045844 -106.10151421 Ti 5.84739494 1.41672833 0.95530404 22 3271.74550823 -5461.77533730 -7529.52287692 Ti 7.21352620 2.69869102 -0.27640463 22 -5834.20654485 -3672.98069611 -6021.84362838 Ti 8.37755395 3.44445473 0.83403119 22 6949.83026686 3340.72891863 5091.51193984 Ti 8.24095455 0.00495798 2.27890763 22 5615.35336810 -51626.58240287 -32028.35547458 Ti 8.09957950 1.30443832 3.08507589 22 -5618.38240725 51629.53982658 32030.75980663 Ti 5.25033488 2.35184303 2.32315970 22 -3494.02754047 5213.42850436 7594.74599585 Ti 5.64142214 3.37496672 4.33485555 22 47.35940405 -544.99243356 -214.35607219 Ti 0.17123265 4.66755044 0.22518554 22 -191.28067440 -240.10362442 -227.52528848 Ti 1.29747082 6.06687088 1.57584655 22 5180.22947991 -5553.12742254 -5009.20460612 Ti 2.02707479 7.24562626 -0.06940129 22 93.67699394 302.63402877 -680.58562362 Ti 3.49415644 8.14954586 1.51518879 22 19.95792059 194.36143422 4.78493066 Ti 2.35128071 4.90302123 3.30011294 22 56.92474048 -346.54303919 -227.19792639 Ti 3.52505281 6.60530918 3.88536271 22 -21825.30379316 -6412.93500703 14028.77926135 Ti 0.30343481 7.09372145 2.61988627 22 -35126.71114041 -30604.81023163 -17706.20095622 Ti 1.18900090 8.16663910 3.31231676 22 28727.16780584 36220.69148835 21277.22111539 Ti 4.54895447 5.91204373 -0.01311844 22 2275.54772904 8062.65008565 -2085.87803218 Ti 6.60636902 5.56259896 0.77372034 22 -1706.77433866 6366.65218827 -6492.12248119 Ti 8.40755728 6.87766324 0.42298176 22 206.41604260 -242.93511618 -286.81208396 Ti 8.74903817 8.80914228 1.42072483 22 82.06014148 451.05553723 232.26791710 Ti 6.93890937 4.34142845 2.00865889 22 966.87543545 -6046.34529092 7407.56832790 Ti 8.90069829 6.64018069 4.20850463 22 625.11498591 -490.92505878 -588.01041176 Ti 4.86669079 7.01666324 3.04907652 22 17055.45686235 4230.22184814 -13898.41963978 Ti 6.52790570 7.79184019 3.08364688 22 5359.32668689 2518.23431756 63.27391985 Ti 0.03445481 -0.01401124 5.02260493 22 -201.59719911 -77.67945758 -156.56149272 Ti 1.78600664 0.68216268 6.35053953 22 52.28900311 148.58701754 -53.29418562 Ti 2.70422278 2.74680826 5.13314398 22 -61577.92718311 55579.57482751 54321.20981943 Ti 3.75657392 3.89218279 5.71568824 22 13677.03652069 15105.98758053 7796.79190605 Ti 2.88207379 -0.28256585 8.11470887 22 -1207.24920248 -1347.66248963 159.71548916 Ti 4.36445836 1.06397717 8.18779940 22 -2399.35355617 -4922.67962977 1269.08233485 Ti 0.09022090 2.00102288 8.02345842 22 -966.94937553 -636.53007798 -518.26817892 Ti 1.63946788 3.05140768 8.88093330 22 921.63319211 550.79847961 567.72297086 Ti 5.23691561 -0.35959171 4.64529035 22 -293.62253815 -471.55785315 -542.03300733 Ti 6.07978869 0.90509466 6.14180855 22 72.05646729 377.71803857 324.16152532 Ti 7.52118884 2.67686516 5.74464133 22 -63089.10607255 -41291.54516211 -990.51844328 Ti 8.78525095 3.50380320 5.76441588 22 63365.56837273 41396.54756193 927.52325702 Ti 7.08121095 -0.26381087 7.85246945 22 -820.23319455 -602.65540902 -356.81275620 Ti 8.71805016 0.54258153 8.82756457 22 938.82508973 465.95967130 558.50610176 Ti 5.28741001 2.58791405 7.89501332 22 -15545.44442987 -24689.05196800 -17412.56768527 Ti 6.05360029 3.81698740 8.54269414 22 14890.47300237 28754.98087094 18906.78509246 Ti 0.28828810 5.21858961 5.23618440 22 -204302.06353647 -231795.50747927 -344763.71118719 Ti 0.86740886 5.87772492 6.21531896 22 205275.82850439 230603.81509259 344701.78747045 Ti 2.09747061 8.08419772 5.05763315 22 627.83931421 9.06991135 1813.96119910 Ti 3.73824897 8.19210246 6.54706371 22 -1922.89963139 10.00349103 -3758.86975797 Ti 2.46159030 5.16213081 7.94252535 22 -282302.86664142 -274420.35054888 -244260.93138402 Ti 3.26274887 5.94082181 8.63556366 22 282395.65697244 274463.47130099 244298.00861169 Ti -0.26454925 7.47238335 6.52149843 22 -1243.57606453 1760.31285288 353.65476763 Ti 1.25998546 9.02961640 8.99034275 22 2.33340242 -2.87151543 -2.81771917 Ti 5.78371348 5.30113471 5.25402410 22 -9953.94112250 -36715.13588776 -21767.13872411 Ti 6.13872229 6.62095981 6.03264631 22 5211.97969961 33842.92364935 24065.26846816 Ti 7.53400097 7.64505319 5.45478489 22 -400965.74686015 -407231.99070059 -238287.40176559 Ti 8.36844674 8.49187426 5.94256265 22 405230.22793569 411276.47205677 236900.75668032 Ti 7.50925683 4.52691046 7.66108360 22 4020.44542807 1960.06023169 -2772.32003194 Ti 9.05399952 5.67073228 8.78870685 22 296.90780882 222.02911192 215.79840677 Ti 4.64449090 8.19744050 8.18050392 22 -3193.16751542 -528.17770972 4522.01562200 Ti 6.47253268 8.38617922 8.02625590 22 5454.91842179 581.45348710 -423.87132381