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=24.2237083555258 stress="7.042387763897217e-06 6.16758783930354e-05 -4.2781715167369053e-05 6.16758783930354e-05 2.1694048489842037e-05 -3.03877521990066e-05 -4.2781715167369053e-05 -3.03877521990066e-05 -3.1311825740755367e-05" free_energy=24.2237083555258 pbc="F F F" F 35.21487595 35.66010973 35.02527520 -1.47068457 -0.53008676 -1.61280965 F 36.46308230 36.09045034 36.53578408 -0.02606243 0.67671292 1.08578421 F 37.72287662 37.00906590 34.75042115 0.33944236 0.45271917 -0.69669456 F 38.35344904 38.78238171 37.00760608 0.42525839 -4.11305826 -0.40561895 F 37.84013519 35.03091681 37.81412727 1.55972369 -0.36801861 1.46620087 F 38.81152306 36.10048622 38.95837166 -0.96255720 -3.31476177 -0.22513248 F 35.37628871 38.18741709 37.65607387 -2.00789187 -0.42900817 -1.26951410 F 36.90818390 38.80456606 38.87793321 2.70035968 -1.55812899 3.14849275 F 40.10513849 35.68931254 34.65999668 -0.71405155 -0.17000386 -1.98488062 F 40.93906800 35.73523130 36.49979386 3.15566937 -2.43295536 1.38037244 F 42.98532094 37.17818715 35.26981643 3.60482947 6.05507005 4.81115925 F 43.65941661 38.33068643 36.23690878 -3.22711785 -6.06164910 -5.08723046 F 42.41285813 34.88941858 37.13536290 -1.69651643 0.75016760 -0.81837779 F 43.57329664 36.57025101 39.02862907 1.08741513 -0.54284336 -0.99353953 F 40.24993016 37.09152891 37.77539362 1.65733336 3.63711314 0.95149919 F 41.05484995 38.54743610 38.51222898 -0.22122530 -3.67785641 -0.78125590 F 35.30601395 40.21531894 34.91769245 0.97731429 1.72867196 1.47228319 F 36.03292570 41.49321425 35.96177767 -5.02772459 1.77821510 4.58899252 F 37.34583092 42.34872331 34.54703522 1.06350446 0.49232557 -1.71779488 F 38.32682506 44.00256714 36.11263270 -0.14904352 0.75850141 0.05418043 F 38.30290741 40.12455400 36.78555855 -1.17435118 2.50545734 -2.07726586 F 38.74303602 41.34877031 38.29590751 5.21974776 5.09977886 -5.70195071 F 35.39525894 42.54506684 37.13682156 2.53584816 -4.51187492 -5.15359205 F 35.74796249 43.72814922 39.36162581 -0.10460095 0.43679546 0.23835578 F 40.08366548 40.27259340 35.09558367 -0.14220447 -0.54829506 -1.21202404 F 41.44635499 41.51938099 36.60564770 6.94822589 -0.50120164 -5.12112566 F 42.26883187 42.01530835 35.42032358 -4.58035245 -3.02332974 5.69313432 F 43.58394397 43.71219096 36.37375629 0.54608994 0.68837372 0.35216538 F 41.86581314 39.92857288 37.33603049 -0.39327270 3.90228733 -2.49708952 F 43.60688597 41.07845499 38.59897734 0.61360296 0.21846289 0.19530098 F 39.69289684 42.14796191 37.15994348 -5.26385095 -2.77407399 6.03115267 F 40.51970964 43.67732094 37.84224241 0.02996311 0.28014612 0.20674999 F 35.45683445 34.93224913 39.62318784 1.18694714 1.90036020 2.35687747 F 36.16025204 35.95835245 40.90417992 -2.28741270 -0.75470800 -3.74166174 F 37.77805333 37.79968003 39.42642188 -3.79749678 3.20426848 -0.93832998 F 38.64377634 39.16177341 41.15019835 -4.45634400 4.71653293 3.34274869 F 37.08038615 34.74235299 42.16847990 0.96925145 -1.34094381 1.34822385 F 39.20675865 36.50108204 43.29922158 2.24934806 5.14790020 -4.79280066 F 34.96135882 37.10296040 43.19782293 0.50448907 1.13334794 0.25487603 F 35.83798798 38.70234021 43.39294486 -0.75813026 -1.24825658 0.05122415 F 40.71640585 34.54339417 39.80762107 0.21558671 -0.94881269 -0.14643537 F 40.77688392 36.72212270 40.79471943 8.32302200 2.94949097 -2.21388419 F 42.27293335 37.42458714 40.53978098 -8.17108992 -3.34853353 2.17681825 F 43.44067933 39.42889208 41.15028003 1.58538334 -0.02917926 -1.74381843 F 43.10782650 35.18612198 42.19201161 0.62500322 1.24290551 1.45392535 F 43.50476833 36.15484226 43.15882938 -0.48600206 -1.43813275 -1.32680276 F 39.72175198 37.66230082 42.19129751 -3.22728009 -5.80919273 6.93709458 F 41.62912391 38.45461784 43.28706234 4.99189940 6.78212140 -0.89529809 F 34.63518412 40.07772579 40.64801980 -0.84427992 -0.86562808 -0.40981612 F 36.14311133 41.66595197 41.25453629 -4.09670430 2.45379475 4.69396438 F 37.86552680 42.03279553 39.99232312 0.14547579 0.23650315 0.06069637 F 38.64610389 43.78801098 41.22687270 0.23504789 1.00554687 0.43488402 F 37.53469850 40.18948077 42.01331553 3.93106892 -4.78695849 -2.78461660 F 38.96092282 41.23918040 43.42717606 3.91474403 2.52481177 -1.21950223 F 35.22355317 42.02737440 42.70181805 1.30871717 -2.41242768 -4.98931004 F 36.31013070 43.45352564 43.73023129 1.18677453 1.59615713 1.17728249 F 39.49676357 39.54167641 39.48644656 -0.00925573 0.87226937 0.83700164 F 41.55170100 41.27594550 40.89846397 2.24795044 8.05549946 -3.55470407 F 41.99616396 42.82416640 40.47300258 4.74991122 -7.85967064 4.41548255 F 43.42760347 42.93531587 40.91888433 -6.70267217 0.12870050 -2.54097186 F 42.47597691 39.69409626 42.99334471 -5.82706549 -7.62902115 3.47145074 F 43.25194958 41.46715574 42.97240027 0.84812177 1.29637082 0.77936710 F 40.28064440 42.06459044 42.59515911 -4.53102079 -3.38787865 2.54021630 F 41.02583792 43.94722767 43.23429233 0.67319205 1.70910995 0.64589099