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=-90.33758584114803 stress="0.0007027110292220732 0.00030123917183335193 0.00032595802130187877 0.00030123917183335193 0.0005780463627593074 0.00013549075327518528 0.00032595802130187877 0.00013549075327518528 0.0008640944858550367" free_energy=-90.33758584114803 pbc="F F F" C 35.22086729 34.98310996 34.77096654 9.17442884 9.01083982 12.65611128 C 36.15142137 35.93572417 35.98055861 -7.75360430 -4.86208209 -15.95461553 C 36.67756578 37.22516294 35.23402360 -1.40858966 -4.14373845 3.29125328 C 38.60714772 38.38846909 36.18004449 4.55541721 -2.70845721 2.52006832 C 37.29465675 34.93158033 37.83765651 13.64812077 7.26890306 6.00082199 C 38.85840215 35.76443239 38.52583685 -8.23505551 -11.63996258 8.97574268 C 35.01305245 38.37091231 38.11880303 0.00036830 0.00958576 0.02170044 C 36.48039588 39.19849762 39.32791220 -11.09889723 5.62817735 4.78723290 C 40.66534341 35.08420154 35.01871475 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35.30609528 42.83814538 37.63905551 7.23862953 9.88785750 17.74368873 C 35.90975672 43.66349090 39.11824152 -7.23023727 -9.90753242 -17.73743383 C 40.07691087 40.37610830 35.02429146 0.00476513 -0.01864476 -0.02306511 C 41.60365422 41.12475624 36.46651109 4.50882468 4.08028934 -3.64793910 C 41.81572304 42.57418108 35.19237007 -1.13097292 -7.66837421 6.74118721 C 43.77998887 43.84689383 36.36417419 0.00205038 0.01062805 -0.00286683 C 42.58087455 40.09122498 37.35935114 -3.37521751 3.55819122 -3.06769862 C 43.69199418 41.33668068 38.69436414 -0.01125701 -0.00909885 0.00662380 C 39.66448343 42.61247168 37.57159319 11.03868260 5.25303052 9.63361886 C 40.97555741 42.84117247 38.89352680 -9.71615215 -1.08683439 -11.91649093 C 35.41842707 35.38305112 39.19257121 -0.00711250 0.00661183 0.00305720 C 35.74317334 36.09374280 41.26851604 3.84550341 -3.88765589 2.15447509 C 36.76038493 37.98439513 39.72956113 1.44363871 -1.90939918 -0.12666031 C 38.55150311 38.51894432 41.34725891 11.45418020 14.79012146 -11.79796345 C 36.82109495 35.00024689 41.87628816 -3.82343700 3.88868249 -2.16915888 C 39.08450338 35.75571598 43.58475277 12.24508729 15.08299054 -9.77699208 C 34.99655912 37.96978731 42.51668654 14.04838104 10.86243779 11.90816897 C 36.22422232 38.91950201 43.54655608 -9.88565709 -7.11075139 -14.14431826 C 39.48112682 35.26114691 40.25032740 -5.39822705 4.36040890 -14.96974440 C 41.48837336 36.00831489 41.15449098 16.33066747 -3.39457856 0.79448481 C 42.84911873 36.80937418 40.08801189 0.33951197 -10.62454703 -4.11822053 C 43.60556472 38.49425818 41.03735392 -0.01411365 0.00688973 -0.00753240 C 42.20384740 34.85081933 42.23870751 -5.93047904 9.40695647 -8.78082660 C 43.57482201 36.25082232 43.60853791 0.00346422 -0.00518236 0.01001717 C 40.09980901 37.00409575 42.77385137 -12.27270880 -15.06875826 9.78406678 C 41.35459120 39.16259925 43.98598378 -0.00287162 -0.02005702 0.00533440 C 35.05370384 39.95662146 40.02567089 16.18781546 9.10093847 5.86688566 C 35.64418629 41.24709340 41.08813660 -6.51103019 -12.82489448 -10.55625279 C 37.82350393 42.21827495 39.80335328 4.76811751 6.22623296 6.28820278 C 38.63834321 43.28337470 40.87827378 -4.75768804 -6.21476366 -6.26168985 C 37.36102597 39.94186987 42.97296820 -1.02016098 -1.58153007 4.24143402 C 38.79631150 40.93527427 43.89510889 -3.13453584 -2.16067131 -2.00957219 C 34.64091186 43.07869929 42.69904864 0.00825623 -0.00734564 -0.00616592 C 36.52400295 43.79466744 43.44753526 0.00332954 0.00305279 0.00333927 C 39.50493887 39.74812168 40.36805486 -11.46073002 -14.79225692 11.77052374 C 40.81361915 41.22892384 41.12165250 -0.08939081 0.95440394 1.06262386 C 42.34497277 43.23479106 39.71375535 -5.09861595 -1.48640232 -3.02640292 C 43.91282868 43.75484312 41.85766015 0.00340706 -0.00006656 -0.00564559 C 42.93254863 40.60408419 42.31583657 3.95311816 6.29725416 14.27346043 C 43.40100039 41.34897719 44.00395371 -3.96436099 -6.30438967 -14.28403408 C 40.71162819 42.11536967 42.13716159 0.09059992 -0.94490578 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