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=106982.64445228518 stress="-1.5282135923089777 -0.29663734664716873 -1.0862857930870249 -0.29663734664716873 -1.0650724136383731 -0.17391375031275502 -1.0862857930870249 -0.17391375031275502 -1.290126892660112" pbc="F F F" Tc 35.28703685 35.16577725 35.55269260 -4933.26208540 -3686.34182385 -1265.51865338 Tc 36.72059327 36.23733177 35.92113183 -192.30241246 1766.50641259 3732.12899570 Tc 37.73698590 37.14633083 34.67199875 -5262.66609717 -8758.02644209 -14027.71197787 Tc 38.53157065 38.25091436 35.67800170 8143.34399979 11423.96419149 10293.30724733 Tc 38.37339919 35.68999635 36.80508689 1496.42638814 -559.69047007 -660.59258116 Tc 38.90616777 35.36580104 38.69980417 -90373.07936107 65548.56589639 -105957.33873649 Tc 34.73256896 37.56138782 37.33931972 -160.64845397 -64.64701252 -153.44064599 Tc 36.31840005 38.29787751 38.85706491 -1854.72321485 1205.60617290 -3931.93198630 Tc 39.75279705 34.67754762 34.97638971 36.60914681 -17.28383999 -43.12165951 Tc 42.03181451 36.56382084 36.14591051 -3652.82402541 5409.84654544 -4017.29312410 Tc 42.35680970 38.07687308 34.61078037 -14769.62094131 -5238.74238869 -20930.50276813 Tc 43.29593764 38.43304235 35.91006345 15358.58683552 5463.22609865 20065.33903804 Tc 42.76870873 35.24806219 37.11156291 2434.95887115 -6849.23732615 3469.42628183 Tc 43.98619582 36.26948565 38.36474779 1011.77326070 745.48142133 925.75740697 Tc 39.79053385 37.37457824 37.54312217 221.48511626 191.95317609 137.37989354 Tc 41.57998287 38.93891126 39.20171780 -21097.77659983 31653.88363121 -10327.53480278 Tc 35.16812430 39.57971138 35.39301089 -606.40111835 -813.95312842 -877.71217300 Tc 36.10436528 40.81630681 36.72958878 -4588.21895509 3924.68616724 -2169.92316351 Tc 36.84220544 43.26445058 35.32007505 -15170.39522952 -2234.07218194 -5613.34409959 Tc 38.42229943 43.49660462 35.90528051 15173.12187122 2219.49469616 5624.96670792 Tc 37.49732989 39.97870116 37.54033180 -24101.07809407 -26166.30605132 -9705.43145084 Tc 38.68132517 40.90957694 38.05258816 28992.27603749 23481.60599758 12171.80821032 Tc 34.68409918 42.87976275 37.36927475 -3909.77400852 -4247.37967682 -5229.10151208 Tc 35.58141052 43.86490928 38.57666036 3899.56558643 4267.49232259 5239.12432137 Tc 39.36454089 40.67491492 35.56728187 -16044.76194412 -9006.47816669 1403.94096534 Tc 40.82842632 41.49883464 35.43613071 15885.60229642 8863.41229714 -1369.82480705 Tc 42.44921064 42.96772230 34.73880154 -25428.02885209 -10893.11068585 -23916.35428839 Tc 43.56564815 43.44984151 35.77807468 25604.61441873 11054.97787556 23846.87188473 Tc 42.27229138 39.72454882 37.28165019 -4585.74519724 -2339.63605944 -4068.47347943 Tc 43.47244744 40.53007685 38.38640804 4424.90961825 2969.38822364 4043.66302650 Tc 40.73599967 42.97109251 37.66314142 -448.67259269 -581.04812513 -794.20684568 Tc 41.57261803 44.10200382 39.19736995 -19624.15105706 27027.19454416 -8073.66943355 Tc 35.24693416 35.78496378 39.38963832 -126.22541284 3.17367668 -222.09868771 Tc 36.39150935 35.66708074 41.37645611 -24919.02674628 12434.85859037 -22405.29547303 Tc 37.09679338 37.82798497 40.48702140 -37694.58715468 -21098.37864482 -21877.80398685 Tc 38.30303259 38.42952365 41.27117914 51678.43382153 5146.10327202 15539.39166225 Tc 37.50469770 35.10940703 42.38444013 -16007.77763691 -38724.90501910 -35361.60780037 Tc 38.32495701 35.63301760 43.54403172 41025.21014191 26180.84695403 58026.90826168 Tc 35.46523093 37.91072192 42.73175011 -18632.12611832 -19812.16094810 -18120.21286510 Tc 36.38460292 38.88872884 43.62777490 17940.87657433 19294.56408303 19342.31302229 Tc 39.74252718 34.75901383 39.69240637 90850.25922803 -65910.44255128 107826.28460684 Tc 41.47565901 36.55973750 40.98389861 -1091.40291115 -800.93191988 980.29582305 Tc 42.43089581 37.66490121 39.62177046 22241.95303033 -31244.68695433 9244.10197276 Tc 43.78854873 38.78318719 41.14036040 127.39959117 97.98861432 136.00857824 Tc 42.51153674 35.30410019 42.49116057 10.16886849 -450.24461733 140.81182874 Tc 43.85043102 36.77967954 43.57179943 183.63556625 213.18999254 146.92922674 Tc 39.64040271 37.64646840 42.54143389 -6664.32614969 -5114.27563596 -13571.12749001 Tc 40.41210242 38.08255285 43.98473059 7865.31404105 4447.06696709 14703.67395737 Tc 34.72766656 39.96997805 40.75652131 -12.04792484 -19.52880926 -2.76043780 Tc 36.63873807 41.78517623 40.88941741 -22369.97517504 -21658.26212425 11663.44340768 Tc 37.72250846 42.83458546 40.32294958 19644.28585797 18643.80136076 -14390.16318884 Tc 38.77317695 43.98967848 41.33635011 2709.88851400 3101.58053318 2618.04144821 Tc 37.31383803 39.57670569 41.95457811 -12473.98931295 16013.01067062 8095.32229307 Tc 38.84605648 41.02331276 43.94785335 -47.04956489 -54.51048500 35.24099221 Tc 34.85478225 42.72577925 42.47877079 -432.48637386 -222.58733434 -380.43957002 Tc 36.27809004 43.54479800 43.89000918 412.10315304 229.12193289 396.59290628 Tc 39.69596625 39.87432752 39.61027696 -874.41786052 -560.21391021 376.63811301 Tc 41.24040852 41.09594710 40.37640844 481.09491646 386.82749422 412.27533780 Tc 42.51094453 42.86425453 39.61236047 20199.65279470 -26265.73614195 8809.62898433 Tc 43.80864878 43.46591414 42.11239163 28.21153273 139.22363016 -100.47471432 Tc 42.50954732 40.62955148 42.69533681 -70613.68715582 -74549.31662358 -58801.12737064 Tc 43.38256928 41.55134173 43.42258540 70576.32751756 74405.90011392 58912.46893447 Tc 40.27259703 42.56812736 42.63655141 -54.05740304 -148.34081083 -156.60812884 Tc 41.67749911 43.72702030 44.03013055 159.22454462 135.93235320 162.66256574