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=22107020.02736693 stress="-102606796.10766655 -5185543.111861765 -48448505.9827681 -5185543.111861765 -78568361.36099026 -41496313.77789757 -48448505.9827681 -41496313.77789757 -84506630.69531439" pbc="F F F" Ba -0.20174556 0.26150653 -0.05065567 -4342.99351418 -1390.55520667 -4103.73819611 Ba 1.55960868 0.75262194 1.65124630 -2790287.92251282 4993024.23991088 -6810001.66334760 Ba 1.56161711 2.89426633 -0.10921448 2881.25004917 -1410.43891391 -2606.87832078 Ba 3.63508597 3.90737660 1.70804609 12787570.35698910 -15165332.09138711 -4626195.63694572 Ba 2.00815496 -0.04865615 2.74422210 2796557.97416013 -4996119.52365758 6812614.69284642 Ba 3.54568555 1.46643773 4.60806682 -13385.33238481 -2074.06087305 -78478.23658535 Ba 0.01531798 2.68997468 2.50410127 -53733.42953879 -47256.61535694 -38323.90070026 Ba 1.31482035 3.91048056 3.50947480 595014.07902633 -429960.71907779 -551771.75874000 Ba 5.22260817 -0.36319804 0.57583826 -32661.60280920 -46802.01857557 -13440.20453741 Ba 6.39138277 1.31328287 1.05471491 -23103.56990003 -22389.45691330 2621.84275001 Ba 7.66550439 2.75889091 0.38190613 -19035.55127094 38228.63287644 -116274.84768359 Ba 8.91323683 3.12986576 1.89046297 74634.84894181 26374.43722007 81684.25389913 Ba 7.54000287 0.56195623 2.79336942 -926384.99668915 -711610.00618758 -688286.00036815 Ba 8.67290022 1.40239743 3.64623034 2620774.28257507 -1415937.07311849 -1349824.28681741 Ba 5.37250786 2.84215109 2.31752195 -44183565.85121137 -30338995.53314514 -30080215.79204220 Ba 6.25711428 3.44906918 2.91997301 44205524.31833706 30330020.71499569 30108563.45230301 Ba -0.44976435 4.43484905 0.35368273 -11405.03266136 -8193.98512785 -6443.98862816 Ba 0.78370836 6.16694345 1.29636020 1427.61713809 12172.10277868 3181.29390862 Ba 3.19596526 7.16587240 0.70830856 -30743.34138046 -37100.76846983 -11880.04710010 Ba 4.30088511 8.97319973 0.93698883 18063.31312169 54228.35469512 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9.11422465 3.47810350 -52470.14806748 77543.53560485 -57753.07549566 Ba -0.09803519 0.38949610 4.64100436 -3364.65753294 -1813.67168159 -1604.65414343 Ba 1.58419683 1.49513659 6.24989815 -103757.03892199 -240430.62516635 190489.44334597 Ba 2.15992191 2.86842765 5.16706393 60347.37743731 269987.90806883 -135567.79803359 Ba 4.24264759 3.46603551 6.30165878 -4233523.80013629 3371974.97795771 -7751489.32780601 Ba 3.38220369 0.03130434 7.27557167 -22329.08413136 -128893.71370863 -244643.29426383 Ba 3.43747199 0.80681072 8.96266737 8059.59461814 119950.23650402 262645.74426445 Ba 0.56894571 3.10477560 7.91846732 -2186174.78531579 -8540621.98807894 -4257842.25585090 Ba 0.88483193 4.34090611 8.53512782 2157268.85655576 8532011.23117709 4282969.93252593 Ba 4.92137197 0.41670867 5.63188105 -7931315.41309125 -8667321.48997253 -11691380.58559426 Ba 5.57769208 1.12235210 6.59241598 8002945.91874731 8614350.68609393 11668361.27081110 Ba 7.91207896 2.35733831 4.58028371 -1687950.66069145 2096753.11195465 2045259.45732573 Ba 8.71329255 3.39021986 6.36638610 12679.47532732 11288.17960920 15192.22771415 Ba 6.60329195 -0.02162444 8.00605570 31208.17874978 -34847.84831627 43019.48267760 Ba 9.18159090 1.69407932 8.08914699 1652.61877698 -4773.43228505 5039.35996501 Ba 4.87995007 2.95951466 7.46614769 2864583.33581605 -3574535.92430396 5607854.44124049 Ba 5.71465694 3.10521138 8.78849921 1366222.79740436 238784.36824921 2164950.98346952 Ba 0.28706216 4.79980082 4.52408702 -576569.54078483 491197.06597928 557523.67565657 Ba 1.06257263 6.13355613 6.36737051 2046802.32602574 -3747230.40190900 -2153108.40820356 Ba 2.29576351 7.71212694 4.59754656 796.51979084 161.75356034 36077.05071094 Ba 4.06168933 8.96230502 6.54615493 -26045.75951184 74257.49528625 -73088.39481463 Ba 2.52313251 4.96451285 7.22556953 68896.42830858 -46320.11830501 -4845.51327465 Ba 3.01211734 6.48456739 8.77433805 -41950.26009418 -15791.56497645 46484.82489816 Ba 0.41267834 7.30879475 7.02687238 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