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=5193910.066248735 stress="-30.01113054212044 7.527695110577694 -21.80434343112136 7.527695110577694 -49.323470914896724 25.126648067147357 -21.80434343112136 25.126648067147357 -102.80000126450834" pbc="F F F" Tb 35.89371100 35.20651107 35.31898786 19935.59407535 -393570.78989992 -491363.64062276 Tb 35.84214036 36.17891542 36.53075653 1789607.10606234 -3999822.85339511 -2024567.56340254 Tb 38.24653496 36.82143308 35.13584917 -81.03656044 -1073.30231580 -1141.67084010 Tb 38.52549662 38.87327891 36.41604478 5422.12595614 651.17521106 -6161.05345876 Tb 37.55803875 34.84008603 37.14451961 4109.92631734 -3478.70568534 1751.12873111 Tb 38.42761020 36.39119409 39.05178920 1388530.15309663 -623963.72137010 -768687.38747134 Tb 35.39754508 37.25622661 37.14677966 -1814774.90404016 4395685.43747987 2513525.14978786 Tb 37.17166211 38.53331822 39.06907665 1578616.94382905 -10025790.19139045 20108711.70575590 Tb 40.65499364 35.40907795 35.07906694 -19852.62607254 -27502.36445837 -39207.06819651 Tb 41.37559432 36.40942229 36.50377903 -630380.13463789 860138.47160406 -602839.89849981 Tb 42.58856160 37.44312224 35.09242772 -15085.99349038 -6829.63837238 -23153.89691406 Tb 44.01036755 38.25313674 36.18270089 23774.16347757 7452.19982800 13191.51659333 Tb 42.14992723 35.40375318 37.25486705 629438.47062785 -855721.31336696 616265.63536486 Tb 43.68816211 35.64960315 38.42175609 26527.57907015 4152.51874855 20043.55474864 Tb 40.28734883 37.64425656 37.66724448 -4155471.55843281 -3254952.38479478 -3001482.20011692 Tb 41.17796333 38.34630411 38.31480839 4144334.63544631 3268093.21387812 3012984.03145869 Tb 35.33760819 39.69786086 34.87636881 -649.17703876 -401.51610783 -1049.72199443 Tb 36.59587119 40.47550696 36.88063893 -13754.86480676 40134.41765694 -31661.20301819 Tb 37.03818284 42.74129185 35.15566593 -6265.13826104 -4213.45512216 -2735.51800658 Tb 38.73856505 43.90217639 35.83271048 5533.29892877 4702.91260483 1411.92117611 Tb 37.08886161 39.06345924 38.01775572 -1579277.42972487 10130050.58117443 -20128558.60395986 Tb 38.09099251 41.55473164 38.79954863 21846.39585424 -37222.26374243 -26752.43979962 Tb 34.72848312 42.32388303 36.98518895 -4290.92027781 -1898.17852976 -3056.04799339 Tb 36.27895626 43.29517653 38.26950913 -22452.29195845 11679.15001191 -35061.89231161 Tb 40.56262161 40.08662978 35.02455872 -1810.12764908 -3246.26555621 -5001.24315903 Tb 41.27860585 41.28987378 36.73660288 -524.26989341 3958.96837890 4049.58034667 Tb 42.36445642 42.82413580 34.95512892 -122.48484103 250.38529822 -1451.18097993 Tb 43.45166224 43.34139834 37.17632608 682.97645073 328.23246903 735.21381332 Tb 43.07441323 39.93436323 37.27996002 271.02818862 2568.03843149 3140.81186131 Tb 43.62643681 41.34615777 39.41506543 3331.44645389 -2839.75569029 -820.46457366 Tb 40.19056522 43.32306755 37.74061441 -709502.55769245 -305521.07372000 -826245.40861285 Tb 41.12189280 43.72477783 38.82650220 636281.01024401 393073.75804697 722449.97627482 Tb 35.28690915 35.40794764 39.92443118 -4002.36646724 -3830.89428891 -4224.29277700 Tb 36.38518626 36.50868532 41.50555590 -96766.40236195 118645.56941970 -272177.93330435 Tb 37.25356154 36.92049497 39.69524969 -1378858.49060380 488836.55189520 804356.56249142 Tb 38.72769818 38.78138381 40.78034527 -16467.34980937 -14495.59133175 8835.93407272 Tb 37.23443523 35.68038648 42.61363280 178751.46219914 -186826.41371491 238326.12475033 Tb 38.86094416 36.42209544 43.74320846 -21968.72432057 -2142.66603288 31442.86244649 Tb 35.02948085 37.41241836 42.17572892 -110991.38256185 51318.70526329 30720.93690957 Tb 36.27071258 38.33750753 43.41906925 15536.44230224 11349.72991927 17093.20065625 Tb 39.71672208 35.16250517 40.23367409 -218845.75396757 -142993.72300229 -61825.16205247 Tb 41.08805273 35.99969295 40.64286637 211643.56017721 115699.49813718 62444.50382180 Tb 42.29990166 37.54883340 40.33509807 -9011.45432526 -4524.08017281 -15554.69769710 Tb 43.61727671 38.78439239 41.02370707 28037.23172401 19681.89076765 9089.88957893 Tb 42.63062871 34.95410640 42.22935358 -703.76161554 -2042.41515875 -859.44422615 Tb 44.10296252 35.94392954 43.75667533 1842.06931027 1243.75878920 1911.37968376 Tb 40.32163942 36.71047028 42.53256693 27399.47057688 7290.03689180 -18040.33125533 Tb 40.53879881 39.07882128 43.02967819 -3690.26416699 -3823.10016926 5016.46973160 Tb 35.60691760 40.62229299 39.43146321 -4187.92708380 -807.44743059 -5158.31708431 Tb 36.49639290 41.07486525 41.38590425 -1070704.56033527 1029894.13058860 -1794566.09406542 Tb 37.32120747 42.94443618 39.81592363 4900.55005594 29126.51833696 64473.87034106 Tb 39.39999968 43.84367336 41.18634294 -1852876.34272919 1972160.42080932 -4287792.81231956 Tb 37.14340523 40.45445789 42.46843966 1072771.55086798 -1031942.28907786 1796456.82232248 Tb 38.75479938 41.36456781 43.77501307 2975.26773101 1584.79855646 2919.35434516 Tb 35.04243610 42.47391882 42.49204095 -10291.23686336 -6256.74773234 -3836.35132452 Tb 36.31359615 43.86569732 43.40088357 7848.28283634 8614.73744215 5620.97919727 Tb 40.22700037 39.98679161 40.27469793 -129450.17669056 -144772.75393884 -285242.19700307 Tb 40.90688233 40.72171004 41.55411399 123459.51656103 173969.06183345 261489.37185745 Tb 41.94284314 42.75471595 40.00171977 66369.46756864 -86021.79976295 104992.76774686 Tb 43.90115817 43.71343376 40.57433269 4280.77485284 2571.52091282 1458.35463336 Tb 42.52761259 40.08155349 42.44612939 25254.77359496 -5744.87370098 16895.23030436 Tb 43.81066699 42.08357527 43.28968282 576.11729771 809.87500235 389.34983334 Tb 39.88395955 43.32869010 42.30624092 1844323.10903708 -1975184.60305771 4278253.49143449 Tb 41.23287970 43.89185668 43.78997318 8899.20850794 3740.90670296 9828.05496988