64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-99.6224308616 stress="0.2918740868597958 0.12939263291982833 0.06509147607623104 0.12939263291982833 0.23181840561089873 0.06775010903789114 0.06509147607623104 0.06775010903789114 0.3037803347880109" pbc="F F F" C -0.24099151 0.18525799 0.18408192 5.59634195 2.26121312 2.44817657 C 1.59933616 0.93572417 0.98055861 -4.00912644 2.58203586 -5.80017391 C 2.14715992 2.22516294 0.23402360 5.96213525 5.38846176 7.28816490 C 3.38021302 3.78131475 0.96390753 -10.77918939 -3.07933554 5.03048346 C 2.29465675 -0.06841967 2.83765651 8.51888153 3.96178486 4.18113361 C 3.85840215 0.76443239 3.52583685 -6.31731200 -7.18276783 2.45976205 C -0.35260593 3.29713884 2.56715001 -0.36640105 -0.24032010 -0.31430766 C 1.55604684 4.07636534 3.99475015 0.24779884 21.85725097 -12.00277260 C 5.43580477 0.40181549 -0.21293565 -0.48673014 -0.35720793 -0.61271216 C 6.59993901 1.23678549 1.50500385 4.04237343 -5.15993654 8.74866904 C 7.56413860 2.42957765 -0.13579737 5.79791087 5.96514431 4.29652732 C 8.67982227 3.56376137 0.86736005 -5.14552375 -5.79686969 -5.16484072 C 7.32923406 0.29825864 2.98568119 -4.29721179 4.54050554 -8.10316788 C 8.94092265 1.25361342 4.25818171 -8.56766725 10.69439627 10.22585160 C 4.63485376 2.67682157 2.44339995 10.29155088 5.95245815 10.34774970 C 5.92663375 3.45262663 3.77269330 -9.69777749 -6.11531851 -10.23327751 C -0.24668824 4.95945902 0.10549878 10.09643389 6.64518244 8.50485783 C 1.14575737 5.88078096 1.24085714 -4.74294400 -0.17640894 -17.41835641 C 2.07537277 6.95612166 -0.10493054 -5.71730348 -6.66536080 8.25268127 C 3.61643991 8.25046324 1.40123177 2.72443243 -1.14298770 1.88410301 C 2.95366604 4.88968876 2.71888199 -5.84788703 -10.72902613 3.57017957 C 4.18297782 5.79320854 3.39174556 -3.99198117 -3.22087987 -2.84195111 C 0.30609528 7.83814538 2.63905551 2.02786912 3.17555849 5.44579816 C 0.90975672 8.66349090 4.11824152 -2.46118472 -2.66770373 -5.43664815 C 5.80025774 5.54371647 0.11722067 2.36673030 2.19939393 4.11348317 C 6.60365422 6.12475624 1.46651109 0.52398822 -6.29660834 -1.77757825 C 7.56887234 8.28829204 0.43479524 3.94517826 -0.37905432 3.70049990 C 8.72991215 8.09524421 1.59344261 -3.74710777 0.81943735 -3.91953043 C 7.58087455 5.09122498 2.35935114 7.00530081 11.24657231 6.27575410 C 8.97769358 6.09133389 3.54532507 -9.77881985 -7.50677094 -8.43239989 C 4.66448343 7.68403127 2.11226018 -2.94801175 1.87092238 -2.39911660 C 5.97555741 8.41566944 3.89352680 4.59275325 -1.61561567 2.91452555 C 0.05615299 0.04331559 4.53882749 8.63668060 8.14527884 10.12397486 C 1.18959060 1.09305905 5.84266193 -1.93380760 -17.44929338 1.92002895 C 1.55943280 3.13961255 4.73157267 0.58655308 -9.82178815 7.10428470 C 3.55150311 3.51894432 6.34725891 4.25248897 4.95771090 -4.31774313 C 2.07742728 -0.03010948 7.36669775 -7.20067730 8.60422310 -11.94740668 C 4.08450338 0.75571598 8.58475277 3.92695834 4.59595170 -2.70273393 C -0.00344088 2.96978731 7.51668654 5.47360103 4.39915993 5.13813547 C 1.22422232 3.93105794 8.54655608 -2.08707294 -1.20295486 -7.39254909 C 4.53173977 0.00137669 5.41040162 -2.40540934 2.12307707 -6.03457470 C 6.48837336 1.00831489 6.43404765 2.81745487 -4.68447225 2.19199170 C 7.84911873 2.53357673 5.46434653 11.09378424 -8.53985829 -9.31698826 C 8.60556472 3.49425818 6.03735392 -1.34283272 -1.40604048 -0.80980384 C 7.20384740 -0.14918067 7.03810700 -2.53441054 3.89353893 -2.22656519 C 8.52873988 1.15147628 9.00741096 0.10923500 0.09363689 0.15380131 C 5.09980901 2.00409575 7.77385137 1.81823472 6.09431872 9.71299268 C 6.01232826 3.64460413 8.74908259 -6.13759882 -11.08186721 -5.85719192 C -0.16713376 4.78943560 4.93496123 11.52009400 -4.59099603 -6.79058593 C 1.33938665 6.45182051 6.03424871 10.88391671 5.69713415 -9.19764865 C 2.82350393 7.21827495 4.80335328 -8.50447943 -2.21725301 12.95593354 C 3.63834321 8.28337470 5.87827378 -2.56493807 -2.84651737 -3.59701150 C 2.36102597 4.94186987 7.87644269 -3.82616912 -3.08021800 2.85409665 C 4.65250601 5.97721387 8.66035569 5.01735270 8.28057341 -10.43850657 C -0.05659247 8.08802507 7.80887747 7.55555594 2.93939476 3.00718461 C 1.59061432 8.70591349 8.43982060 -7.62683286 -2.84913450 -2.89292159 C 4.50493887 4.74812168 5.36805486 -4.22147334 -5.61898307 4.77080013 C 5.89974943 6.22892384 6.12165250 -1.65074050 3.59546166 3.33132950 C 7.34497277 7.80178516 4.71375535 -4.66133632 1.86497870 -3.26705740 C 8.54829776 8.63207843 6.33114341 0.53897233 0.37871853 0.64110499 C 7.34450830 5.22034254 7.90879489 0.35145938 -0.23167260 -0.36129517 C 8.53101814 6.80408480 8.88425519 0.49632923 0.57708864 0.42366748 C 5.39757659 7.11536967 7.13716159 1.40655238 0.45913648 17.64347924 C 5.98769168 8.65153102 8.39647003 -4.62494459 -11.90647839 -10.05378979