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=50062.21968763388 stress="-0.5428069671263891 0.10177986895497161 -0.1759488497077302 0.10177986895497161 -0.7428885318277519 -0.31488624669365595 -0.1759488497077302 -0.31488624669365595 -0.4975631234368239" pbc="F F F" Tl 35.16699940 35.04697704 35.48727795 -337.14368082 -202.16071323 -110.03623457 Tl 36.76796702 36.01293205 36.00235913 -515.71615984 2814.60938686 -4771.59381837 Tl 37.91414199 37.74612705 35.32866500 -11464.98710283 -19710.87766413 -8953.04970562 Tl 38.58095380 38.89210420 35.84626991 11533.57534413 19740.30887860 8901.13569172 Tl 37.00148290 35.25446955 37.38257386 829.53627199 -2690.16669180 4891.87351287 Tl 38.34629253 36.70297639 39.12976358 645.44888530 -74.09892892 -154.26285066 Tl 35.26176565 37.43396184 37.12522175 -15.32382282 17.48441839 11.90313345 Tl 37.05325341 39.57357551 38.93798203 -185.57349445 -241.32804834 320.55421417 Tl 39.76221211 34.71432132 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74.00574985 351.90350346 136.02878215 Tl 40.08694779 37.51202011 42.41855429 991.40661020 1789.73782489 -992.48281149 Tl 41.65162330 38.68813243 43.69435184 10.83702424 -2.19700588 25.84357167 Tl 34.96935378 39.95550105 39.51774863 -66.37240278 11.36054304 18.46615044 Tl 36.24882102 41.89675107 41.10196152 -94.11367215 -46.43678878 62.58274281 Tl 37.81796007 42.61406823 39.89854237 -19529.16770944 -23152.41354372 -31804.42362685 Tl 38.44568189 43.30019697 40.89253578 20283.71377540 22179.02390769 32121.68438981 Tl 37.14296543 39.68894303 42.10388634 415.16631144 925.29282624 -826.03699150 Tl 38.81553000 41.18105096 43.62867218 -0.00243411 -2.07411708 0.48286141 Tl 34.82214412 42.35026781 43.02029883 -162.74919621 -67.08925359 -83.63785845 Tl 36.45079247 43.08028376 44.02184021 155.54514712 68.49296492 93.77151854 Tl 40.31360751 39.97259342 39.87767097 -71043.17860014 107893.05368360 41911.70918956 Tl 41.36505668 40.99976548 41.32351948 -11221.85847567 5021.56919911 -20738.02820602 Tl 42.70784783 42.69760841 39.87742338 -17585.62696210 2784.64665081 -6199.99826597 Tl 43.18659960 43.42155175 41.03136149 6752.72881545 10205.70092921 16251.60390397 Tl 42.02975674 40.70960702 42.54983091 11216.85108918 -4963.12371000 20765.73166000 Tl 43.50837772 41.44314950 43.84971538 99.23329782 39.63604056 84.62839120 Tl 40.00563446 43.24761861 42.48928637 -51.04228833 -4.77128261 7.70101106 Tl 42.04689964 43.35971003 43.15578950 78.25700907 12.50944913 42.41409239