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=-131.44092609097524 stress="0.000522745273356406 0.00020725187554542372 4.96013259483833e-05 0.00020725187554542372 0.0004522707172819143 7.858500880535009e-05 4.96013259483833e-05 7.858500880535009e-05 0.0006079341448352927" free_energy=-131.44092609097524 pbc="F F F" C 34.75900849 34.98477095 35.64594072 2.36566684 1.43731478 0.35794864 C 36.39718813 35.93572417 35.98055861 -1.37366478 -1.62139842 1.00306773 C 37.14715992 37.22516294 35.23402360 0.67429038 1.23362387 2.12872600 C 37.96709764 38.78131475 35.96390753 -1.31240822 -1.27933005 1.25481745 C 36.84674196 34.93158033 37.83765651 7.15255729 5.13250806 1.97484918 C 38.85840215 35.76443239 38.52583685 -4.24543854 3.90164623 -4.44954045 C 34.87364502 37.47843907 38.02587658 0.00000000 0.00000000 0.00000000 C 36.55604684 39.07636534 38.99475015 -3.47197790 7.85920088 -3.77711258 C 40.44932342 35.29377055 34.75670798 0.02867417 0.01782571 0.03304820 C 41.96628114 36.23678549 36.50500385 6.06615512 3.00537397 -4.71209952 C 43.06376618 37.42957765 34.86420263 -3.95607432 -3.84925003 7.59139186 C 43.67982227 38.56376137 35.86736005 -4.28598481 4.43182185 4.27688191 C 43.12870706 35.29825864 37.91003023 -0.30845083 3.18312822 -0.00807162 C 43.94092265 36.42635864 39.33157354 -1.66158462 -1.89773982 -2.70726008 C 39.63485376 37.67682157 37.44339995 -1.98586225 -7.32207701 6.59735943 C 40.92663375 38.66864663 38.77269330 -3.75406878 0.35552741 0.46309987 C 34.75331176 39.74989001 35.10549878 1.84931846 1.58308225 1.57100382 C 36.14575737 40.88078096 36.24085714 1.71319984 9.13971877 -2.33115140 C 37.23544699 42.23567833 34.69446895 -4.81347332 -5.93568883 6.84119853 C 38.61643991 43.58528255 36.40123177 0.27154160 -0.27690902 -0.00363470 C 37.56308014 39.88968876 37.52734200 -0.93813965 -0.59218427 -1.00654257 C 39.67911872 40.79320854 38.39174556 -1.76092082 4.15991637 -1.39077696 C 35.27732346 42.60590649 37.63905551 4.16876462 -4.02511095 -2.47584995 C 36.19458357 43.66349090 39.11824152 2.07497001 -5.71672929 -0.51588921 C 40.38619242 40.30317212 34.70305829 5.36596397 3.75438518 7.87422759 C 41.60365422 41.12475624 36.46651109 -2.60685921 1.81189606 -12.39488517 C 42.13700750 42.97130329 35.10350000 6.54489392 -4.73361590 11.16354657 C 43.97271432 43.46171569 36.36724050 -8.53618261 -2.23470202 -5.92294978 C 42.58087455 40.04141038 37.35935114 5.03800773 -2.02767339 -4.44844120 C 43.97769358 41.09133389 38.54532507 -1.89929528 -1.67907994 -1.53936327 C 39.66448343 42.68403127 37.11226018 5.01714536 -4.80862558 12.58933153 C 40.97555741 43.31914392 38.89352680 -3.37739961 -3.03069579 -5.98734349 C 35.05615299 35.04331559 39.53882749 2.94847066 1.76573092 0.41510295 C 36.18959060 36.09305905 40.84266193 0.55919217 2.66260797 -5.02061966 C 37.00297454 37.99791377 39.62151619 5.08984693 -9.71762412 12.21731417 C 38.55150311 38.51894432 41.34725891 -3.68958385 1.19894287 -5.48425094 C 36.58109925 34.96989052 41.89596251 0.12061044 0.76238553 -0.10434126 C 38.84352723 35.58766845 43.58475277 1.93058571 1.65096697 -1.21689636 C 34.99655912 37.96978731 42.51668654 2.43415974 0.82028717 1.71036452 C 36.66147796 38.66680361 43.54655608 -2.33229389 0.40570349 -2.74838442 C 39.53173977 35.00137669 40.76049087 -1.08544206 1.23359908 -3.61086334 C 41.84190222 36.00831489 41.43404765 -21.73223015 43.68459467 -32.85040331 C 42.84911873 37.25854751 40.08801189 0.44793562 1.75304999 4.88390186 C 43.52170955 38.98750272 41.29919491 -3.08877919 -1.21173299 -0.81799068 C 42.18789496 35.25286767 42.07479522 23.74517147 -38.34984858 42.53566779 C 43.34154035 35.71232769 43.98425097 -4.75819485 -2.21387055 -7.85122491 C 40.09980901 36.69481420 42.84678755 3.69452843 5.58955378 1.88914209 C 40.47462098 38.73073442 43.80462855 -5.32662891 -3.00221283 -4.15882259 C 34.83286624 39.78943560 39.93496123 2.41099811 -0.76188683 -1.56654457 C 35.88698845 41.93479805 40.86193449 2.06689806 2.02969434 -0.61482010 C 37.82350393 42.21827495 39.80335328 -10.69634694 -1.54129816 -2.02202815 C 38.31705875 43.28337470 40.48115157 3.44625860 4.85802855 3.15950415 C 37.36102597 40.03073993 42.87644269 2.94412226 -1.69498195 1.35703997 C 39.23985324 40.60085005 43.78505241 6.16474088 -1.58844421 -8.06781390 C 34.62935593 42.80367007 42.32271401 2.63227533 -0.92772734 -1.74052425 C 36.64289762 43.79233656 43.39702376 -0.79714058 -0.39084601 -0.42450947 C 39.83946121 39.74812168 40.36805486 1.23345239 0.88569291 -5.91753881 C 40.89974943 41.22892384 40.83595311 0.36092557 -3.23077962 0.65069726 C 42.34497277 43.04713195 39.86279442 -1.86801916 0.39823938 -1.29627228 C 43.89681505 43.43861604 42.04762001 0.00000000 0.00000000 0.00000000 C 42.51989586 40.42044581 42.44053329 6.45125407 3.42152250 4.78415578 C 43.82327501 41.37060237 44.08965562 -6.47111544 -4.60941674 -8.06244214 C 40.39757659 41.75878264 42.13716159 -4.87901516 -3.85608955 7.92381426 C 41.62358612 43.71616612 43.33717860 0.00000000 0.00000000 0.00000000