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=-123.65523253329287 stress="0.0006605658086230511 0.00024279242235974205 0.0001828389862546603 0.00024279242235974205 0.0006127783620779453 6.814298712310534e-06 0.0001828389862546603 6.814298712310534e-06 0.0005565233571226165" free_energy=-123.65523253329287 pbc="F F F" C 34.75900849 34.98477095 35.64594072 3.89725606 2.21781228 0.51427491 C 36.59933616 35.93572417 35.98055861 5.48927119 13.70457918 -7.45543087 C 37.14715992 37.22516294 35.23402360 -5.25090535 -15.07740366 12.97047825 C 38.17806499 38.78131475 35.96390753 -3.35421632 -1.41817139 3.87050021 C 37.29465675 34.93158033 37.42454113 4.30169111 6.61001003 -1.99146770 C 38.85840215 35.76443239 38.07792206 -5.12501360 -2.23343192 -2.59089727 C 34.87364502 37.47843907 38.02587658 0.93375207 0.27826369 0.53814740 C 36.92238897 39.07636534 39.49437773 2.56262925 8.81722653 1.78994078 C 40.75838683 35.21811959 34.87884026 0.14243272 0.28533544 0.50343629 C 41.59993901 36.56994755 36.72102384 -2.87991853 2.41877484 1.39911665 C 42.56413860 37.42957765 34.86420263 2.99120121 3.17930923 5.85926807 C 43.67982227 38.56376137 35.86736005 -4.47022274 -3.33855497 -2.95332357 C 42.61007463 35.29825864 38.24768796 22.68259091 12.67750517 7.92709757 C 43.94092265 35.91364046 38.80687150 -24.77258185 -10.27208364 -8.84319832 C 40.13099466 37.67682157 37.44339995 8.08433112 -1.62642700 3.43549100 C 40.92663375 38.45262663 38.77269330 -3.46949087 -3.01373545 -5.16680516 C 34.75331176 39.95945902 35.10549878 4.59870139 2.92319489 3.77993648 C 36.14575737 40.85200914 36.24085714 -3.06107646 0.39339295 -5.97379732 C 37.00320811 42.52050518 35.13172459 1.02058013 -1.95891513 4.20774349 C 38.61643991 43.32327578 36.40123177 0.15073184 -2.95848179 -1.00570022 C 37.95366604 39.63699037 37.71888199 4.10871732 0.91360631 -2.05823084 C 39.18297782 40.79320854 38.39174556 -4.30556604 -4.76553450 -1.44847176 C 35.30609528 42.83814538 37.63905551 3.25152620 3.04010718 5.22243357 C 36.25984596 43.66349090 39.11824152 0.32053806 -7.62833798 -3.39215756 C 40.73972128 40.21931696 35.19630284 2.96918697 3.36689004 4.40027230 C 41.60365422 41.12475624 36.46651109 1.78032866 -7.71957386 -0.91460687 C 42.39884849 42.95535085 35.10350000 2.31124592 0.32021476 3.59616883 C 43.73416763 43.42278923 36.76928884 -2.50611238 -0.79053923 -3.21935457 C 42.61756277 40.09122498 37.35935114 -0.05314422 7.24771084 -1.30942634 C 43.97769358 41.09133389 38.54532507 -3.88212688 -3.07289029 -3.42669432 C 39.66448343 42.68403127 36.80616598 -2.72193069 1.58140930 -0.97156499 C 40.97555741 43.31914392 38.89352680 8.95125898 -3.21929895 5.24541183 C 35.05615299 35.04331559 39.53882749 3.58604586 3.66705615 4.66025354 C 36.06516128 36.09305905 40.81876652 -1.44866246 -6.29926458 -1.34572170 C 36.69369298 38.07084995 39.15570835 -3.13558975 -8.57833399 -3.73638412 C 38.55150311 38.51894432 41.34725891 8.03461503 21.78163720 -17.39453684 C 37.07742728 34.96989052 42.36669775 -1.81195243 2.47106097 -3.05134013 C 39.08450338 35.75571598 43.58475277 4.07906233 4.36807589 -2.91120280 C 34.99655912 37.96978731 42.51668654 4.36992655 3.56581543 3.43693113 C 36.22422232 38.91950201 43.54655608 2.96481386 3.07355153 -7.19920926 C 39.85297294 35.09024676 40.41040162 3.49403153 2.05548998 2.07386347 C 41.48837336 36.00831489 41.43404765 5.25436043 -7.67558684 5.57712212 C 42.84911873 37.06582207 40.47319003 -0.30168349 2.32125287 3.98338593 C 43.60556472 38.49425818 41.03735392 -3.51414810 -6.52269688 -2.35404657 C 42.20384740 34.85081933 42.03810700 -7.32456607 12.28557823 -5.81122859 C 43.64456824 35.85814493 43.72244698 -0.28125381 -0.21207587 -0.33037611 C 40.34515580 37.00409575 42.77385137 1.12527077 -3.27426706 0.91228907 C 41.08946789 38.73073442 43.73306896 -1.91478305 -3.68555068 -2.52052063 C 34.83286624 40.24876861 39.45698978 0.62780081 0.01287767 0.37322948 C 36.24926253 41.25697785 41.20167001 0.01229611 5.31146048 -0.27233155 C 37.47724765 42.21827495 39.80335328 -2.94213357 6.25571560 5.68030842 C 38.63834321 43.28337470 40.87827378 -2.00494656 -5.47390491 -1.88649225 C 37.36102597 39.94186987 42.87644269 -3.13506312 -5.46233548 4.86033867 C 39.23985324 40.34715822 43.78573616 -3.99369113 -1.23857471 -2.04992231 C 35.05521004 42.56108047 42.30919536 5.62524279 -2.24129756 -1.52557504 C 36.75094256 43.53907053 43.40599221 -2.34144525 -1.32134487 -1.46053830 C 39.01452928 39.69750874 40.36805486 -8.56106293 -20.78437907 16.52636638 C 40.89974943 41.48869406 41.12165250 -5.01187174 4.45640617 6.30654118 C 42.34497277 42.80178516 39.71375535 -7.89577029 3.79205501 -3.26400291 C 43.80830042 43.63703082 41.23617259 -1.55407270 -0.82890037 -1.62356375 C 42.72049636 40.34763327 42.85459860 2.29619472 4.93555047 3.95727653 C 43.42366654 41.78476475 43.84685345 -2.48224851 -5.33673945 -3.60043057 C 40.03110512 42.11536967 42.13716159 3.51351255 -2.46053298 -8.64249852 C 41.51005271 43.61888066 43.92529465 -0.02389355 0.16023873 0.09342607