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=292863.39345369046 stress="-4.136389376429675 1.735940194264116 1.1530634456410893 1.735940194264116 -2.4766558538454237 -1.0619077340651162 1.1530634456410893 -1.0619077340651162 -3.82419668824264" pbc="F F F" Rf 35.79168687 34.58517511 34.97107721 -1587.58428360 -6972.61944302 -7277.32122190 Rf 36.07935188 35.85664737 36.29434313 -90022.89898574 60724.65899739 -97931.27170464 Rf 38.01262414 37.60973023 35.31129787 -31498.57825458 -29897.01218176 -16204.28949164 Rf 39.13794649 38.67787002 35.88974552 30681.35557184 30266.07305448 15851.67531558 Rf 37.00923241 35.30691876 37.35544115 91795.53294307 -54424.87892122 104821.66805369 Rf 38.77831112 36.56329550 38.54085641 -1524.90958891 1503.08369415 -2111.11632422 Rf 35.06445600 37.62289051 37.26536422 -397.77348506 436.43700767 138.60125854 Rf 35.79858633 38.92157593 39.19024965 50521.55798055 -51774.06484098 -21809.74488986 Rf 40.32208690 34.69335534 35.00612370 -24304.62323688 -45839.26434820 -35079.63236772 Rf 40.94995806 35.87790710 35.91259793 24766.76011708 41494.40810651 31405.89637398 Rf 42.46229085 37.37591097 35.21905824 -1671.56606015 -2332.88016852 -906.53578948 Rf 43.67098563 38.93575684 35.56660550 2237.00607337 2877.62442863 630.10573622 Rf 42.47732591 34.99088563 37.25943908 -2924.98442688 -1673.34085026 -3680.00091683 Rf 43.68885346 35.44041651 38.70743493 3579.56637810 1244.22080061 4177.87303236 Rf 40.38121181 37.32053862 37.08197772 -745.37808296 3545.92813501 3496.74501991 Rf 41.42798066 38.92229950 38.60257791 -15118.15733822 -78363.22138630 28956.59731547 Rf 35.41293227 39.27985230 34.96815873 -15.19680027 -135.22214364 -80.59429345 Rf 35.76593384 41.48730354 36.08808256 32339.45603776 -86474.15037446 -78548.34197618 Rf 37.57903315 41.87623824 35.77440758 8240.91986468 1764.32160821 -1759.28580030 Rf 39.19785893 44.00461711 36.10217502 -726.00791356 1183.15470676 -828.97556212 Rf 37.07452697 40.23355464 37.95836931 -2312.16518668 -2954.40218687 -692.00404169 Rf 38.34752617 41.73755406 38.05244292 1962.43652259 3015.33092367 932.31611722 Rf 35.25989410 42.54305873 37.08327393 -41574.75956546 83490.35970633 79225.23509876 Rf 36.26262343 44.15240032 38.01248516 871.51421333 1381.90846404 798.78416107 Rf 40.27361525 40.34043755 34.70907114 -318.60070003 -134.36463162 -909.32421507 Rf 41.47698150 41.35645706 36.25699151 -4351.56415828 -5389.33556848 3551.50017874 Rf 42.84431299 41.96336263 35.16415568 5605.48953963 -9626.73540719 -9548.61226291 Rf 43.13294357 43.70220668 35.60422325 2169.75396209 13090.51865347 3300.82834718 Rf 42.27093951 39.97731228 37.77097692 43622.30497024 53015.12510459 -42233.58551573 Rf 43.22074901 42.01832808 37.94639303 433.55356334 596.41869835 -101.92028668 Rf 40.19999954 42.48619490 37.21114872 -1580.90152105 2219.91894174 2778.99410599 Rf 40.90648747 43.75812010 39.29322652 130.45325004 120.91334836 -161.28091592 Rf 34.93924365 35.85660573 40.61011040 -20194.43289044 -7093.07545387 -9423.40917594 Rf 36.45521331 36.37363657 41.30356645 7658.83519198 6546.85697852 -701.73084482 Rf 37.47831477 37.44674877 40.11093623 3624.89611801 4355.73440637 -3926.22783091 Rf 38.88224987 39.16388569 41.71439934 50650.24198503 -46834.98867793 -25731.97148807 Rf 37.65488931 35.56627064 42.32596718 4976.47855319 -9214.23106531 3393.60942310 Rf 38.98579143 35.64622184 43.60232902 7314.49273971 -497.64356079 8285.84506724 Rf 35.32500877 37.61731931 42.19259970 -4876.57915927 4618.66841362 2901.99816369 Rf 36.32659559 38.66974751 43.84047158 446.16215531 461.46155380 832.49375720 Rf 39.88825438 35.36280227 39.73089888 -3097.13208204 -5122.07018324 -593.71321795 Rf 41.36882439 36.32708347 40.49326705 -17155.41557176 -12849.05547635 7335.12715297 Rf 42.73828171 37.32505994 40.18723289 20912.64353099 14588.94162385 -5623.15790520 Rf 43.90052665 38.86063772 41.00944113 1555.42285837 1432.61976524 453.73680246 Rf 42.54552754 34.73041180 42.21922502 10.43312887 -70.29038016 6.87949097 Rf 43.47787774 36.34782793 44.15362963 12.63307332 38.40655976 31.04169299 Rf 40.06295451 37.21879200 42.58937379 729.71052176 782.54781354 -499.14523414 Rf 41.26306266 39.63224023 43.26720778 -783397.01403768 462000.89058350 751212.99946777 Rf 34.72414658 40.00159446 39.66150027 -51224.62474044 51465.26413570 22451.45762762 Rf 36.72890313 40.77672813 41.47035639 -189272.84997667 105466.79088138 -144353.87073867 Rf 37.41058264 42.60008479 40.40909184 -221.85190978 513.94387539 -588.07648673 Rf 39.33498368 43.62573829 41.10726474 -37700.16005969 49947.68445832 -102183.88718170 Rf 37.78331231 40.18253813 42.27045856 139311.90601999 -60293.54838289 169595.55016159 Rf 38.58657143 41.55045173 44.02466041 49.03995058 96.11305426 388.98858970 Rf 35.17898927 42.04300147 42.21172498 -1223.52407002 842.26177421 462.83510780 Rf 36.52219972 43.52517024 43.75045470 71.93577674 89.77323357 78.80249784 Rf 40.23778073 39.94423738 39.19083952 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