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=-126.19120489286071 stress="0.00038025416587105616 7.438792914534247e-05 9.562982127308277e-05 7.438792914534247e-05 0.00032073954548280666 5.701133286807516e-05 9.562982127308277e-05 5.701133286807516e-05 0.0003471267334400669" pbc="F F F" C 34.75900849 35.18525799 35.18408192 1.86402110 0.74980367 0.63110012 C 36.59933616 35.93572417 35.98055861 -0.55917261 3.10011703 -2.24508488 C 36.94667287 37.22516294 35.23402360 0.34207221 -2.48076713 3.02065580 C 38.38021302 38.78131475 35.96390753 -0.88331419 -0.93458119 3.47292963 C 37.29465675 34.93158033 38.29951531 2.81061153 2.42891350 0.08622665 C 38.85840215 35.76443239 38.32368882 -2.74137025 -0.75624692 0.08305577 C 34.87364502 37.47843907 37.80973961 0.02567973 -0.07230996 0.30503764 C 36.77218380 39.07636534 39.36109228 -0.85896012 8.00366518 -3.25870809 C 40.44932342 35.29377055 34.75670798 0.36053876 0.17432688 0.13576530 C 41.59993901 36.73641307 36.81406727 0.13169806 0.09877428 0.04786129 C 42.56413860 37.42957765 34.86420263 1.36457440 1.45622543 3.48592902 C 43.67982227 38.56376137 35.86736005 -2.90840189 -1.53595677 -1.17720190 C 42.81964364 35.29825864 37.98568119 1.48578670 3.58153812 1.42188998 C 43.94092265 36.22857540 39.12054377 -4.40720973 0.43492922 -0.89649364 C 39.63485376 37.67682157 37.44339995 0.98452170 0.40887425 0.53288889 C 40.92663375 38.78578868 38.77269330 -1.54666508 -0.39161970 -0.99668128 C 34.75331176 39.95945902 35.10549878 1.28973871 1.22387626 1.07396670 C 36.14575737 41.09680096 36.24085714 -0.95083505 0.73843638 -1.37291901 C 37.02587798 42.49768510 34.69446895 0.64197559 -0.23390654 2.29632141 C 38.61643991 43.32327578 36.01064587 0.54334858 -2.82430254 0.84140046 C 37.95366604 39.69814877 37.71888199 1.59799636 -0.82185569 0.81952202 C 39.18297782 40.79320854 38.88788646 -2.32120694 -2.55612550 1.28040269 C 35.30609528 42.83814538 37.63905551 1.91083768 0.85383526 2.60710724 C 35.88098490 43.66349090 39.11824152 -0.67254540 -2.84914187 -2.78157159 C 40.15395354 40.58799898 34.70305829 0.52037866 0.16184260 1.12477513 C 41.60365422 41.12475624 36.46651109 0.78915256 -1.33745967 1.22899655 C 42.13700750 42.97130329 35.10350000 0.99256409 -0.66915145 1.45061183 C 43.97271432 43.41190109 36.36724050 -1.04505605 -0.15428318 -0.95017730 C 42.58087455 40.09122498 37.35935114 -1.02180092 2.47076071 -1.08402579 C 43.97769358 41.09133389 38.54532507 -1.95713929 -0.66112110 -1.25543908 C 39.66448343 42.18770324 37.11226018 -0.25401374 1.01509612 -0.61547622 C 40.97555741 43.31914392 38.89352680 2.96019377 -2.18312424 1.58294602 C 35.05615299 35.04331559 39.53882749 2.80262862 3.05686404 2.45513526 C 35.71885536 36.09305905 40.60168578 -1.39472745 -3.28374939 -1.93386379 C 36.83492701 38.43516942 39.62151619 1.62478582 -6.11044789 3.02623000 C 38.55150311 38.51894432 41.34725891 0.80977933 3.99756202 -2.09265560 C 36.82472889 34.96989052 42.36669775 -0.23319000 0.62403121 -0.61090047 C 39.08450338 35.75571598 43.58475277 1.63520920 2.39632937 -1.92219154 C 34.99655912 37.96978731 42.51668654 2.70917416 1.83396842 1.88422820 C 36.22422232 38.91950201 43.54655608 0.95782202 1.14569548 -4.35757865 C 39.88182901 35.00137669 40.41040162 1.30558785 1.20460121 0.11766420 C 41.48837336 36.00831489 41.43404765 -0.35499503 -3.04691935 1.63550720 C 42.84911873 37.61207636 40.00415673 3.30292572 0.34523349 1.68827425 C 43.60556472 38.49425818 41.03735392 -2.84996307 -2.20219522 -3.00034045 C 42.20384740 34.85081933 42.03810700 -2.01089750 3.83475071 -1.39581231 C 43.90947554 35.82080457 43.76959969 -0.36549839 -0.38838721 -0.39114207 C 40.09980901 37.00409575 42.77385137 -0.57469873 -1.66298063 0.92792375 C 40.94042883 38.73073442 43.80462855 -0.89846309 -0.85262610 -0.94505896 C 34.83286624 39.75050914 39.93496123 2.73897115 -0.21062099 -0.16314789 C 36.28903680 41.65025310 40.86193449 1.86506589 1.28109192 -1.72132370 C 37.82350393 42.21827495 39.80335328 0.14709597 1.02326653 3.84471298 C 38.63834321 43.28337470 40.87827378 -2.05229646 -3.45854494 -2.90097989 C 37.36102597 39.94186987 42.87644269 -1.25811787 -3.36618164 1.34001611 C 39.23985324 40.79357549 43.78505241 -0.89270936 -0.89480814 -1.02466965 C 34.62935593 42.80367007 42.32271401 1.71292341 -0.10610719 -0.06837141 C 36.64289762 43.48930866 43.25120651 -1.11389477 -0.26996727 -0.55819019 C 39.50493887 39.74812168 40.34415946 0.23307634 0.64337373 -0.73689709 C 40.89974943 40.91964228 41.12165250 -0.12330063 1.07178251 2.89979906 C 42.34497277 42.80178516 39.71375535 -2.59391406 1.81002359 -0.49835957 C 43.50256680 43.59530303 41.28822372 -1.04234499 -0.68120818 -1.71346089 C 42.51989586 40.50931587 42.24780785 -2.15855828 0.63552204 -0.86697507 C 43.82327501 41.37060237 44.08965562 -0.49309057 -0.57650533 -0.87317358 C 40.78275473 42.11536967 42.13716159 0.31139668 -3.99006771 -2.53147741 C 41.28078429 43.77672301 44.02894266 -0.23378085 -0.24184056 -0.40853221