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=-209.15066713803776 stress="0.0003569456151654446 0.00012337159525107903 0.0001368372747713095 0.00012337159525107903 0.0002173773507886522 1.4324666481115589e-05 0.0001368372747713095 1.4324666481115589e-05 0.000305784665153437" free_energy=-209.15066713803776 pbc="F F F" C 34.75900849 35.18525799 35.18408192 4.88293684 1.69693418 2.29873723 C 36.59933616 35.93572417 35.98055861 -5.05188595 -1.99316518 -0.98507031 C 37.14715992 37.22516294 35.23402360 2.18586229 2.22524958 1.45108729 C 38.17972598 38.78131475 35.96390753 -0.90864755 -2.80131240 -0.05850356 C 37.29465675 34.93158033 37.83765651 1.75314132 2.22367078 -0.60337801 C 38.85840215 35.76443239 38.52583685 -0.84658565 -1.54042289 1.71144995 C 34.64671032 37.87128473 37.80973961 0.49325095 0.78029418 0.80503857 C 36.55604684 39.07636534 39.45660895 -0.95921179 0.64494343 -2.99894970 C 40.44932342 35.29377055 34.75670798 2.08555907 1.68097320 2.54735366 C 41.59993901 36.23678549 36.50500385 -0.81502202 -1.57343699 -1.65767175 C 42.36199057 37.01646227 34.86420263 -0.65189269 -0.58929719 1.09655824 C 43.67982227 38.11584657 35.39776591 0.31898132 0.29732414 -0.29753737 C 42.81964364 35.52519334 37.98568119 -3.23411286 -1.59055676 -3.77226046 C 43.94092265 36.30422636 38.99841149 0.93748869 1.10851155 1.63210638 C 39.63485376 37.67682157 37.44339995 2.11404171 1.14473871 2.71817056 C 40.92663375 38.45262663 38.77269330 -1.41865007 -2.40892015 -2.35029533 C 34.75331176 39.95945902 35.10549878 4.04474828 2.56899103 3.32382093 C 36.14575737 40.88078096 36.24085714 -2.47327940 0.37490583 -5.16792214 C 36.84260133 42.45181529 34.69446895 -0.73005690 -2.44630095 2.98606603 C 38.98278204 43.32327578 36.40123177 -2.86964759 1.42835223 -2.17033292 C 37.95366604 40.38931634 38.02794541 3.26848313 -6.27539436 -3.73843166 C 39.18297782 40.71755758 38.51387784 -7.62729429 1.14932216 3.78915576 C 35.63925733 43.05416537 37.42948650 -1.28443159 -0.45331603 -3.35047983 C 36.17176349 43.27290501 38.92670153 2.84077755 -2.13533090 4.45468051 C 40.38619242 40.30317212 34.70305829 2.03526235 1.22889347 3.36751017 C 41.60365422 41.12475624 36.46651109 -2.27642370 -0.22064206 -3.58783880 C 42.13700750 42.97130329 35.10350000 4.15076765 -0.33986952 4.63563356 C 43.97271432 43.46171569 36.36724050 -4.62248328 -1.34266222 -3.09573928 C 42.58087455 40.09122498 37.35935114 1.31392922 3.86956740 1.46107691 C 43.97769358 41.09133389 38.54532507 -3.06747201 -1.93307317 -1.89743337 C 40.16062433 42.68403127 37.11226018 4.97096772 -3.19463531 4.50232740 C 40.97555741 43.31914392 38.89352680 -2.20153708 0.34704326 -2.91231893 C 35.05615299 35.04331559 39.53882749 3.04739212 2.85100778 3.24158828 C 36.18959060 36.09305905 40.84266193 -0.92600530 -4.18497660 -0.98788225 C 37.00297454 37.99791377 39.62151619 -0.02985072 0.56775492 2.62578105 C 38.55150311 38.51894432 41.34725891 1.46018832 1.70302413 -1.83302934 C 37.07742728 34.96989052 42.36669775 -0.88925080 2.47781818 -2.27182657 C 39.08450338 35.75571598 43.58475277 -2.32708899 -2.13411359 0.08641707 C 34.99655912 37.96978731 42.51668654 1.07516884 0.85893714 1.27329969 C 36.22422232 38.91950201 43.54655608 -0.19418107 0.43102142 -1.52619858 C 39.50296794 35.00137669 40.41040162 -0.01406822 2.05620842 -3.05849185 C 41.48837336 36.00831489 41.43404765 -4.44538539 2.45291443 0.14424967 C 42.61687985 37.54337436 40.08801189 -0.11429789 -0.31247269 0.25424622 C 43.55575012 38.49425818 40.54102589 -1.69511571 0.62586162 1.01411994 C 42.20384740 34.85081933 42.03810700 4.33306457 -0.95056378 2.37787226 C 43.64763455 35.83675700 44.00814638 -1.31222182 -1.13924419 -1.83727060 C 40.09980901 36.53336051 42.77385137 3.69680950 4.50033567 -2.51182963 C 40.94042883 38.73073442 43.80462855 -1.42700606 0.28981117 -1.16733805 C 34.83286624 39.78943560 39.93496123 2.39204717 -0.63280016 -0.76214456 C 35.88698845 41.61356488 40.86193449 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44.06242240 43.78359587 0.50225962 -1.33801261 -1.77030690