108 Lattice="11.330932712064884 0.0 0.0 0.0 11.330932712064884 0.0 0.0 0.0 11.330932712064884" Properties=species:S:1:pos:R:3:forces:R:3 energy=-808.66678837402 stress="-0.10443583852936628 0.0023954513000992344 0.009441579263750374 0.0023954513000992344 -0.10747946246848643 -0.008262269612995136 0.009441579263750374 -0.008262269612995136 -0.10246187304833201" pbc="F F F" W 0.01197379 0.01756575 0.01716165 -0.96592180 -0.77090868 -1.36632288 W 1.89249348 1.86209918 0.02845290 -1.31581034 1.98016501 -2.50786056 W 1.85093044 0.00806785 1.86761300 2.06696351 -3.81872897 1.93883411 W 0.00842161 1.85251052 1.88816801 -2.03048142 2.58973880 0.95042716 W 3.75965661 0.01475669 0.01457577 0.92125343 -1.37849661 -0.81697387 W 5.66401214 1.88189797 0.03611473 -0.97435711 0.78692527 -1.25629580 W 5.63372224 0.01071649 1.92445857 0.62734951 -2.41217293 -1.38972649 W 3.74632928 1.85154926 1.89482231 1.66881477 2.46964061 0.66369114 W 7.51820302 0.03286527 0.05726613 1.15388910 -1.53054069 -0.66251608 W 9.46200622 1.86682781 0.03056616 0.18792588 0.66841531 -0.80710232 W 9.42618152 0.03291528 1.92996032 0.47806890 -1.40787208 -0.71897802 W 7.58122027 1.92968767 1.87476672 -1.14196470 -2.33641351 1.82817583 W 0.03181594 3.78665724 0.03335502 -1.14519087 -1.74439908 -0.60417877 W 1.85381559 5.66406890 0.00352443 1.80193082 1.13295787 -1.15744581 W 1.90488863 3.81400747 1.90292072 -0.95266200 -3.19044549 -0.67043244 W 0.00961167 5.65679577 1.90052803 -1.84325045 0.54575421 -0.36524707 W 3.74328893 3.73276190 0.00985882 1.10744559 1.11101742 -0.84909068 W 5.63645982 5.70002691 0.00420715 1.22144454 -1.90501848 -1.46209259 W 5.69687268 3.75978508 1.89465177 -1.74467500 1.58260834 0.79837336 W 3.75797284 5.67826604 1.86176576 0.78663577 -0.23309730 1.97493600 W 7.58402583 3.79789526 0.02951260 -1.29376241 -1.27575862 -2.28119016 W 9.42243331 5.63067437 0.04551274 2.27086235 1.41693119 -1.15754543 W 9.45846189 3.74597579 1.92464841 2.04686794 0.87158467 -0.27447846 W 7.56554247 5.66398548 1.88971928 -1.46766317 0.52069920 1.92587664 W 0.03016222 7.58513772 0.01190980 -1.22123705 -1.65379467 -0.59934939 W 1.88496221 9.43318984 0.02084875 0.99545214 1.37325772 -1.10977973 W 1.88888871 7.58444336 1.90026124 0.81749825 -1.59988169 0.45262839 W 0.00439120 9.43538196 1.87609931 -0.58151030 1.14966865 1.16311242 W 3.76146584 7.54307026 0.02835823 -0.78739789 1.40744042 -2.39629123 W 5.66147450 9.40957171 0.01428963 0.89729288 1.30524901 -1.83107313 W 5.68296369 7.56468122 1.86209572 -0.86812246 -0.84778315 3.47952685 W 3.79071106 9.46944956 1.85187910 -0.46801131 0.46556545 1.99061661 W 7.54613023 7.54844300 0.00591727 0.41533329 -0.92969602 -1.40798972 W 9.39834209 9.41025425 0.02528607 0.73335518 1.39294942 -1.23771815 W 9.45296341 7.57265117 1.86008668 0.58781291 -2.09114713 1.20806150 W 7.56733271 9.43992843 1.91007143 -1.55789014 0.74154630 -0.11240161 W 0.02901579 0.00929891 3.80306363 -1.60016231 -1.24795340 -1.21647046 W 1.90495649 1.86038839 3.75123061 -1.26485514 3.25503393 0.92246383 W 1.90344500 0.01874004 5.63378470 -1.05626059 -3.24587203 2.70571398 W 0.00710683 1.85951572 5.67667524 -1.26506534 2.29647982 -1.36752317 W 3.77027455 0.01399308 3.80726994 0.86362666 -2.79061718 -2.25023332 W 5.69777423 1.85641341 3.75657843 -1.88616867 3.85175548 0.53571899 W 5.65600228 0.03731232 5.64781079 0.41504528 -2.16888592 1.98111523 W 3.73958564 1.85429769 5.67363314 1.51974890 4.01151932 0.52586560 W 7.53276871 0.00759414 3.78156267 1.14132030 -2.86121819 -0.72966888 W 9.42179436 1.85770367 3.81072559 2.91964435 1.84730552 -1.58199485 W 9.47356482 0.03130202 5.67638758 0.73926594 -2.05714619 0.16458791 W 7.58037918 1.86733364 5.63683884 -1.92729479 1.82430458 2.98369874 W 0.01810851 3.75304250 3.79089672 -1.02376654 -0.90878401 -0.46773286 W 1.86846115 5.63520036 3.76549268 1.38382571 2.69647453 1.69371284 W 1.89366180 3.79960071 5.70103456 0.87257610 -2.35631652 -1.94737360 W 0.01505721 5.63532401 5.65874023 -2.30889249 1.26827104 -0.00732785 W 3.77372671 3.81216894 3.76126000 1.29089827 -1.12193523 1.01444586 W 5.67842913 5.69192817 3.81221598 -1.09394821 -1.70148041 -2.65389971 W 5.69728302 3.78312846 5.64134256 -0.96406590 -1.17559647 0.69870909 W 3.74797766 5.69449738 5.69909554 1.66762223 -2.53348589 -2.13305654 W 7.58116385 3.74385954 3.78584680 -1.70224373 1.66643910 -0.48078292 W 9.41610290 5.64673602 3.79071078 2.40963924 1.07977452 -1.56878301 W 9.44234691 3.77769372 5.67044210 1.15823061 -0.62164442 0.96070867 W 7.58402175 5.66113726 5.64386872 -2.39233549 -0.85201273 2.52826021 W 0.00008795 7.54528772 3.74121805 -0.73069206 0.52900952 1.57230409 W 1.90026280 9.47300690 3.76968822 -0.45493308 0.49810917 -0.03227990 W 1.87964817 7.54535571 5.69876693 0.65802528 0.75621048 -3.25946467 W 0.01402632 9.41251836 5.69097839 -0.53517536 0.66643789 -0.92727117 W 3.75464711 7.55359506 3.79574484 -0.40580048 -0.47784766 -1.59917387 W 5.67767108 9.43535172 3.78716306 -1.46591056 0.90765303 -0.94102226 W 5.62782375 7.53603456 5.63960302 1.49214714 1.50509447 3.30065289 W 3.75367194 9.43278270 5.66737918 1.62149808 0.79333494 -0.43684650 W 7.53958171 7.55562828 3.81257866 1.19533957 -0.73755004 -2.80501691 W 9.44566294 9.40898098 3.74961652 0.68135618 0.45391251 1.46600474 W 9.42865621 7.51775154 5.69374539 2.35553513 1.16976280 -1.44260837 W 7.54934168 9.40787150 5.64019605 0.34752171 1.71725269 2.00034740 W 0.01013657 0.03423009 7.54188226 -0.91795224 -2.48689005 0.73365174 W 1.85617153 1.85364318 7.55361812 2.93151773 2.04104189 0.24863700 W 1.92635647 0.03446901 9.46251610 -0.77500336 -0.83750601 1.02404599 W 0.00955072 1.86535992 9.45427432 -0.18058034 0.73420783 0.42139625 W 3.76659245 0.02869963 7.58520798 0.49847974 -2.10953195 -1.53341171 W 5.66564350 1.88520130 7.56404936 0.84953706 1.39950413 -1.04560922 W 5.65675127 0.01858096 9.43373803 1.23459946 -0.67562674 0.58176617 W 3.80646455 1.89569260 9.44823909 -1.38033094 1.08264684 1.37359327 W 7.58815863 0.02905129 7.53690939 -2.07294945 -2.22946070 0.74690636 W 9.42910956 1.85295838 7.58272215 2.57640539 3.22898747 -1.56409423 W 9.42808073 0.03455036 9.45557011 -0.32642725 -0.61413039 0.47809063 W 7.58905945 1.93825956 9.44978487 -2.46705476 -1.89191963 1.57037422 W 0.02716575 3.73658995 7.56119320 -2.35667400 1.22974808 0.04525155 W 1.87657184 5.69928769 7.52200773 0.19106356 -2.88894962 3.76687370 W 1.88911148 3.78863868 9.42884068 -0.01751122 -1.46563231 1.34285186 W 0.00722229 5.63173801 9.45723385 -0.20880177 0.77242446 -0.44308194 W 3.75815789 3.78207075 7.57039996 1.26445293 -1.26271057 -1.81868975 W 5.70074720 5.63025678 7.55044906 -1.52834150 1.41710381 -0.57001798 W 5.66757195 3.76375211 9.47047555 1.03673038 0.32139356 0.41043050 W 3.79336291 5.61293086 9.43005062 -0.67530572 1.92350063 1.65766631 W 7.55879025 3.81409912 7.58221634 0.04295770 -2.51052500 -2.42223790 W 9.42869074 5.68581212 7.58988149 2.85552422 -1.89448048 -2.15517814 W 9.41549273 3.78941941 9.44219061 2.68104609 0.07912241 0.89618877 W 7.58522319 5.67846894 9.44007845 -3.11835139 -0.14078350 2.94793511 W 0.03322511 7.54371474 7.56094113 -3.38332467 0.90901645 0.93605258 W 1.92233375 9.44345956 7.52530586 -1.57305840 1.10447604 1.57764523 W 1.90467387 7.56317104 9.40662313 -0.52881618 -0.97295943 2.44947890 W 0.02948378 9.43427311 9.47755836 0.85116865 -0.72410837 -1.14484625 W 3.78942636 7.51982227 7.57787550 0.09248154 1.27568692 -1.85415794 W 5.64820484 9.45542888 7.56379619 0.52351971 0.11158413 -0.66108303 W 5.63310902 7.51731270 9.41915704 1.80903547 0.74217928 1.83076177 W 3.75953545 9.42965003 9.41316091 0.70689779 0.94381238 1.21423990 W 7.57666979 7.54403846 7.57053862 -3.45957410 0.31410926 -2.69672428 W 9.45308392 9.44268047 7.49980726 -0.17788668 0.07213872 0.56918456 W 9.40688451 7.55623560 9.41621812 3.47615045 0.84553187 1.98386347 W 7.58612568 9.40690620 9.41219842 -1.55520825 1.83524976 0.56428766