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=232711.7366144126 stress="-2.2256655547915267 -1.1536958279387606 -1.6778314973781552 -1.1536958279387606 -1.7625398368232308 -0.9386584570363862 -1.6778314973781552 -0.9386584570363862 -4.252503278063748" pbc="F F F" Ti 34.75387319 35.01223532 34.55678145 -11.34201493 -18.50135726 -16.18391803 Ti 35.90661631 36.83922103 36.13720794 -9947.11222993 -7459.27414184 8672.87369215 Ti 37.03715416 37.61529553 35.12404940 10325.23605803 6959.67532045 -9258.98569486 Ti 38.97615134 38.92871894 36.15294822 -3402.92496572 -2936.97621875 4335.71410574 Ti 37.89115467 34.99417538 37.38171183 -637.35660594 -971.38050604 -1059.10912727 Ti 38.68598963 36.22628669 38.78497031 347.88803639 361.57874845 930.97862765 Ti 35.04297521 37.81317404 37.84062245 -3083.84264521 -1995.75741130 -1598.90945044 Ti 36.27522281 38.83584071 38.82865708 -102194.00250041 -53882.26138503 92308.10150946 Ti 40.91707108 35.45568748 34.83707187 -2770.73456507 -4298.96612840 -8993.38894799 Ti 41.38104741 36.16828358 36.37685774 4172.80060211 3513.24048444 8139.93942690 Ti 41.88369794 37.64984291 34.57576505 81.54045328 221.03917195 -145.63398225 Ti 44.06403842 38.92684524 35.69523960 11.68619258 7.54372863 7.41773298 Ti 43.21633015 35.24853287 37.32497835 -249.23280858 -524.15380000 -3175.69224688 Ti 43.51752955 35.46483527 39.20181771 546.34308553 355.64159892 3314.17589152 Ti 39.69307479 36.83024057 37.18100611 -683.91879921 1258.60954916 -740.62763051 Ti 41.08005955 39.28722027 38.69277201 13600.99446086 -2844.49480278 -17044.72596334 Ti 35.18904106 39.15166082 35.61247522 -974.29120339 -2216.88779935 -534.56576139 Ti 35.83891924 40.95336097 35.98645342 2297.51355291 -400.12894940 -1251.03514578 Ti 36.97756096 42.25546337 34.55485618 194.94206412 222.30421612 -249.72829582 Ti 39.26816963 43.07924007 36.20364603 -5051.56155648 652.73983833 -3803.59429338 Ti 37.27957337 39.37695513 37.96031366 104392.90621329 56104.36167510 -90965.21072937 Ti 38.71809155 40.67458106 38.87665921 -24.15195733 949.60991078 -129.26786890 Ti 34.98837876 42.29870432 37.02894329 -1661.87554948 2533.95199147 1951.85500655 Ti 36.24963855 43.72466791 38.69556067 -2436.03172054 1972.40692604 -2247.13286118 Ti 39.96518167 39.80079034 34.89303226 3433.92829335 3035.18481891 -4445.67074732 Ti 41.15988333 41.00781198 36.83728776 -12836.04411312 5037.83958233 -10383.97434056 Ti 42.50944145 42.57441226 35.10685752 -38180.83621962 -39137.41579093 -53065.11081705 Ti 43.26640233 43.35020543 36.15798989 38206.83438848 39150.48431360 53039.84914050 Ti 42.40728141 40.35961088 37.76843815 -118173.22119434 -141702.01460626 -82924.75037525 Ti 43.28749912 41.25962082 38.37238037 133423.45248762 136286.89696909 91455.78279443 Ti 40.71769878 42.89278878 37.29576900 645.30901077 -20004.73803969 -62676.38949869 Ti 40.80270634 43.35169931 38.74140192 3197.11133599 21502.57989944 66298.30899132 Ti 35.26583180 34.91391425 40.25433379 -23595.08715247 -48066.77210873 -35966.30029636 Ti 35.82518635 36.05344898 41.10707605 23170.07641294 47580.60961186 36283.46698679 Ti 37.12236818 37.04429527 39.71413948 -859.11812168 595.68593003 664.78734256 Ti 38.49263370 38.46376957 41.39103308 -205.65986689 -58.91163421 95.76820814 Ti 37.81816005 35.23912931 42.58444448 -167454.52676967 -200295.98683418 -210797.00947678 Ti 38.49076561 36.04346607 43.43120490 121220.50188581 154736.37113279 226692.89027335 Ti 35.32639179 37.86334013 42.50954486 -166229.94573178 -84327.53784067 -338349.35779833 Ti 35.89972017 38.15470379 43.67736329 166189.72516116 84452.08938942 338510.72640140 Ti 39.76515648 35.02346148 40.03287263 -107.47457634 -1110.30300957 167.92036933 Ti 41.32418628 35.52789660 41.30595742 -1686.73276093 3121.27720056 -5064.97705174 Ti 42.42024205 37.77544567 39.91179176 -1010.33531791 -436.55083273 -1208.42203539 Ti 43.69796485 38.16483606 41.41406149 1484.66800879 -406.06123478 1160.92627437 Ti 41.99010461 34.78130161 42.81764567 2535.51521221 -2849.60221556 5765.59702500 Ti 43.98117536 36.78341478 43.64777732 5.76044175 -15.09759922 30.43037472 Ti 39.54644041 37.08272487 43.06839619 46213.82571632 45382.63808710 -15804.92271924 Ti 41.37654358 38.59806429 43.45670731 92.15414847 75.25470278 40.42142185 Ti 35.29639093 39.65300580 40.65110169 -2066.59599587 -1322.02797908 -718.10322489 Ti 36.68707693 40.78216045 41.42255368 -192220.20857849 105319.03838824 -345588.48375798 Ti 37.45365899 42.78242399 39.81234555 2281.48309435 -2077.85223024 1804.13124740 Ti 38.18213521 43.53574717 41.73367370 -652.73665811 434.24506401 340.12832804 Ti 37.31666331 40.44343624 42.54050835 194843.48801909 -104894.99881500 345910.42435058 Ti 38.81113489 41.95630959 43.91848227 -2.71047764 -1.86904532 94.49966214 Ti 35.64245449 42.19800500 42.45786581 -905.34058887 734.54930178 427.52114139 Ti 36.05497358 43.86515910 43.86335836 85.07359771 342.31590136 290.45608176 Ti 40.01254672 39.38021408 39.94558359 -14906.54919124 956.87300660 18571.22748388 Ti 40.62239120 42.14018309 40.84353684 17744.72729246 -36337.28394696 -51506.27549791 Ti 42.46011561 42.94044655 39.96906414 -12106.95908934 -7897.61788041 -6159.30120149 Ti 43.79782685 43.74402759 40.62905764 13289.50860934 7982.27556104 6557.83616458 Ti 42.76548179 40.04699493 41.69506257 -369.53420921 777.93237490 87.30140987 Ti 44.05909171 41.91563526 43.35834226 3.35921694 7.92763256 5.12660760 Ti 40.19908308 42.97818441 42.04786964 -17427.03231667 35835.10541365 51765.63137501 Ti 41.25390124 43.34920006 44.14844576 86.67499977 31.54670178 150.62530742