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=-54.3058512578798 stress="-0.00022675206407327825 -3.949823092187675e-05 -7.962068042222509e-05 -3.949823092187675e-05 -0.0002346272901181664 1.8200888867874763e-05 -7.962068042222509e-05 1.8200888867874763e-05 -0.00018544253752638564" free_energy=-54.3058512578798 pbc="F F F" Li 34.75900849 34.98477095 35.64594072 -1.95876236 -1.02083330 -0.42834814 Li 36.39718813 35.93572417 35.98055861 -1.08487357 -1.10958709 0.91369778 Li 37.14715992 37.22516294 35.23402360 -0.49263473 0.04047490 -3.83724069 Li 37.96709764 38.33339996 35.96390753 2.68258150 3.70043360 1.94605454 Li 37.29465675 34.93158033 37.36806237 0.60135721 -1.43362321 1.31655917 Li 38.85840215 35.76443239 38.75277156 0.10227686 -0.22948460 0.58022528 Li 34.86284729 38.23762686 38.30936719 -2.23002376 -1.06982164 -1.88467512 Li 36.55604684 39.07636534 38.99475015 -1.53587037 7.20203633 -3.98612588 Li 40.75838683 35.21811959 34.87884026 -0.84557014 -0.49974896 -0.45991657 Li 41.93310106 36.45280549 36.29543484 -1.12020458 0.53390542 1.09881044 Li 42.56413860 37.69158442 34.86420263 -1.41486946 -0.18431863 -2.82300576 Li 43.67982227 38.56376137 35.86736005 2.23741378 1.53372369 1.73666318 Li 42.81964364 35.29825864 37.59509529 0.31010942 -1.11165581 0.64961231 Li 43.94092265 36.11268637 39.49455239 3.42220760 -1.80589478 -2.65149433 Li 39.60608194 37.44458268 37.72822681 -0.39595185 0.03691443 -1.10914620 Li 40.92663375 38.40281203 38.77269330 1.00755572 0.27705817 0.99719503 Li 34.75331176 39.95945902 34.86452263 -0.37221833 -0.55968084 -0.31264248 Li 35.97770984 41.31803661 36.24085714 0.45914519 -0.86510821 0.55135750 Li 36.98274860 42.58576757 34.69446895 0.17278523 0.26244948 -0.91831150 Li 38.61643991 43.32327578 36.40123177 -4.37166594 3.02869129 -2.74594888 Li 37.95366604 40.24321761 37.71888199 -4.02177411 -1.75138365 -2.88038444 Li 39.18297782 40.79320854 38.30789040 4.57210077 1.22656914 2.03796824 Li 35.30609528 42.83814538 37.63905551 -1.10682249 -0.11060253 -0.57637841 Li 36.40300126 43.66349090 39.11824152 0.03751807 1.73810474 0.33884655 Li 40.64803341 40.28721969 35.10510663 -1.79196916 -1.36959670 -2.08618522 Li 41.60365422 41.12475624 36.46651109 -1.43861488 4.71764607 -1.45408343 Li 42.17369572 42.66520909 34.97907069 -0.23765038 0.73239080 -0.99611580 Li 43.94881891 43.15243413 36.44017667 0.47982493 0.23553627 0.38931061 Li 42.11506671 40.09122498 37.35935114 2.25018821 -4.46335764 4.16811562 Li 43.97769358 41.41256706 38.54532507 0.53872295 -0.35478719 0.29475058 Li 39.66448343 42.68403127 37.11226018 4.38636418 -2.21714223 2.28709482 Li 40.97555741 43.31914392 38.89352680 -2.07204381 1.19890181 -0.91388095 Li 35.05615299 35.13218566 39.53882749 -0.44288667 -0.31046821 -1.03521125 Li 35.99686516 36.09305905 41.22784007 -1.85627841 2.22748934 -1.27576577 Li 37.00297454 37.99791377 39.62151619 4.17863109 -8.21235111 4.43239272 Li 38.54843681 38.51894432 41.34725891 0.09320368 -0.79708866 0.19042995 Li 37.09881521 35.30441286 42.08099836 2.32113743 -1.96726001 1.83625306 Li 39.08450338 35.75571598 43.58475277 -1.31889433 -2.78538453 2.42432059 Li 34.99655912 37.96978731 42.51668654 -1.36612482 -0.58830232 -0.82110490 Li 36.46956911 38.91950201 43.54655608 -1.70022827 -2.52882673 2.90011730 Li 39.68077883 34.92981710 40.86973464 -0.94621359 -0.58034324 -0.41467809 Li 41.48837336 36.00831489 41.43404765 -4.29624188 4.39640892 -1.29827357 Li 42.84911873 36.78057606 40.45028597 -1.87219289 2.13406735 0.11663761 Li 43.60556472 38.49425818 41.03735392 0.63784594 1.55599612 0.44731764 Li 42.20384740 34.85081933 42.03810700 3.00567634 -5.75426353 2.65316547 Li 43.29104752 36.17649253 43.66189009 0.29032943 0.48336281 0.71663992 Li 39.65339174 37.00409575 42.77385137 1.43598807 3.09708832 -1.61217400 Li 40.94111258 39.15658853 43.56203895 0.90663782 -1.12066182 -0.00544701 Li 34.83286624 39.77591695 40.04300617 -1.76910597 0.21347030 1.10694667 Li 35.63065613 41.64392125 40.37152490 -0.15160305 0.55061817 0.61543066 Li 37.77289099 42.21827495 39.80335328 0.01370755 -2.04645371 -0.93369625 Li 38.63834321 43.28337470 40.87827378 1.01293190 1.96057909 1.64136763 Li 37.36102597 39.94186987 42.87644269 2.37154338 3.70048776 -2.39301286 Li 39.49962345 40.63350127 43.78505241 -0.83955186 0.67535153 0.94529842 Li 34.82995643 42.73085754 42.73677932 -0.49260854 -0.29224046 -0.32115031 Li 36.88344197 43.39579439 43.78979821 0.78040621 -0.00868261 0.10620492 Li 39.93680371 40.06511043 40.69935010 -2.71103194 -4.17322442 -1.87212365 Li 40.89974943 41.22892384 41.12165250 4.73605215 -0.69376773 -4.68499782 Li 42.34497277 42.80178516 39.71375535 2.29079125 -0.63296886 1.14257550 Li 43.72557247 43.55011602 41.91154804 0.18690945 0.07183881 -0.06390994 Li 42.61642137 40.42044581 41.99699155 1.50134223 -0.49610474 0.32376054 Li 43.96497379 41.48065884 43.97076095 -0.02202829 -0.07103110 0.17819509 Li 40.39757659 42.11536967 42.13716159 -2.65559949 5.67467291 5.61599264 Li 41.59856987 44.06168698 43.85549530 -0.09117563 0.00978323 0.09612127