108 Lattice="12.116797181995208 0.0 0.0 0.0 12.116797181995208 0.0 0.0 0.0 12.116797181995208" Properties=species:S:1:pos:R:3:forces:R:3 energy=-698.1192346324056 stress="-0.011474692865707022 0.0013126174544751505 0.0004546161931405181 0.0013126174544751505 -0.01163356733407336 0.0011413069536269516 0.0004546161931405181 0.0011413069536269516 -0.011370742876890185" free_energy=-698.1192346324056 pbc="F F F" Nb 0.01436783 0.02600765 0.03660682 0.86447628 0.77045480 0.89786103 Nb 2.04075510 1.99036540 0.01536731 -0.14787165 0.03737353 -0.47445981 Nb 2.04252284 0.01564242 2.05925652 -0.16282083 -0.49829647 -0.54321582 Nb 0.02068132 2.05467061 2.01671149 -0.57189501 -0.28318904 -0.13042028 Nb 4.04656129 0.01949256 0.01303446 0.03879880 0.19902335 0.36316378 Nb 6.08135973 1.98215185 0.01413667 -0.38913968 0.45525133 -0.71931386 Nb 6.05231691 0.02040106 2.04378613 -0.13320445 -0.87679961 -0.20389718 Nb 4.06957567 2.05173179 2.02694005 -0.02589200 -0.36261647 -0.25990065 Nb 8.03779651 0.04033683 0.00155970 0.44090715 0.01666710 0.35678636 Nb 10.12555109 2.00771457 0.00609295 -0.75731881 0.30569736 0.55880430 Nb 10.08263149 0.02693471 2.00181430 -0.52614816 0.45468259 0.26952649 Nb 8.05230541 1.98313260 2.02072766 0.43525508 0.19756608 -0.16130609 Nb 0.06453911 4.06974518 0.02038994 -0.21315997 -0.23480846 -0.21550582 Nb 2.04589057 6.04893958 0.03679384 -0.10623748 0.32065249 -1.12573126 Nb 1.98908670 4.06252673 1.99287454 0.33136745 -0.17556779 0.27374821 Nb 0.01093455 6.07709688 1.99154969 -0.77707641 -0.22810809 0.31470632 Nb 4.05951170 4.00354907 0.01117466 -0.07530560 0.04850246 -0.84662547 Nb 6.07897529 6.01842271 0.02494785 -0.27897949 0.38355493 -1.08805555 Nb 6.03641744 4.07790662 2.00511426 0.06314314 -0.24773828 0.19161097 Nb 3.99190045 6.08405001 1.99330502 0.34705376 -0.13070108 0.23495743 Nb 8.06454588 4.05509885 0.02991383 0.31175072 -0.52245554 -0.72701512 Nb 10.06408659 6.04916539 0.02418153 -0.17165988 0.04946691 0.30043686 Nb 10.08869407 4.04671569 2.05599823 0.54547537 -0.37872514 -0.43000802 Nb 8.05004814 6.03416801 1.99510737 0.42996186 0.27965116 0.23397896 Nb 0.01467349 8.05525115 0.03910954 0.43457382 0.20156946 0.18504394 Nb 2.01830555 10.07781841 0.00280004 0.26831941 -0.58362489 0.45721440 Nb 1.99869431 8.08070024 2.05980662 0.18961783 0.18789108 -0.71903010 Nb 0.03530418 10.12847967 1.99130097 0.35356169 -0.51599730 0.22904172 Nb 4.07462635 8.05511683 0.00302592 -0.08260243 0.32999029 -0.62842475 Nb 6.09203464 10.10289507 0.00810882 -0.04902204 -0.35999075 0.41584049 Nb 6.02062383 8.06553769 2.03477696 0.09298709 0.36398671 -0.28583459 Nb 4.05751491 10.10791798 2.02212165 0.04493864 0.52862780 -0.22709848 Nb 8.08159563 8.08472901 0.02950853 0.05919209 0.14739688 -0.48442296 Nb 10.09643747 10.11047116 0.03292205 -0.94316053 -0.66198738 0.67156287 Nb 10.10166617 8.12820083 1.99374445 0.48539224 -0.22712126 0.31230529 Nb 8.08085209 10.10087001 2.05512486 0.11629821 0.48357113 -0.18261745 Nb 0.05501619 0.03256469 4.02361670 0.10378829 0.14792929 0.05744398 Nb 2.02733648 2.06131060 4.02802822 -0.08174032 -0.16922851 -0.04670437 Nb 2.06006187 0.02180477 6.06570970 -0.10579538 -0.68538129 -0.13185476 Nb 0.03263188 1.99606172 6.03075616 -0.63954704 0.13202739 0.06698619 Nb 4.03074804 0.03305812 4.00900162 0.12891699 -0.76972156 0.24556498 Nb 6.09823158 1.98368386 4.05561959 -0.18502231 0.44075615 -0.13942043 Nb 6.09538388 0.03316819 6.02637350 -0.43292942 -0.96679492 0.46041099 Nb 4.04996558 2.04339175 6.00215602 -0.15309796 -0.19671346 0.20803139 Nb 8.03810237 0.01758911 4.04258571 0.67226165 -0.97930510 -0.25478845 Nb 10.06082404 2.05876817 4.06933965 0.66048208 -0.19068823 -0.26627492 Nb 10.03576824 0.02537770 6.04822775 0.37868955 -0.11048789 -0.14050798 Nb 8.11004539 1.98989005 6.07570437 -0.28264092 0.49038053 0.02293192 Nb 0.01714197 4.02417070 4.03129011 -0.82533554 0.15038697 0.06406454 Nb 2.02044038 6.03526780 3.99162032 -0.07735687 -0.03525808 0.18256233 Nb 1.99102637 4.08370797 6.07385536 0.27530623 -0.09505111 -0.11698179 Nb 0.00939374 6.05780781 6.04050250 -0.78399739 0.17153910 -0.02416492 Nb 4.07079634 3.99610391 4.00829770 0.02675396 0.30147936 0.13469527 Nb 6.05467001 6.12244864 4.02384829 0.07458773 -0.10651856 0.16224640 Nb 6.04420930 4.02257633 6.08046408 0.13595096 0.01632232 -0.10766912 Nb 4.07448270 6.00995431 6.02545085 -0.14940195 0.00267789 0.07225165 Nb 8.03804399 4.07239541 4.03802297 0.04157619 0.01022224 -0.00852108 Nb 10.12896425 6.01926053 4.00445980 0.61119580 0.30590921 0.18602143 Nb 10.10094682 4.04986604 6.06337850 0.81188572 -0.14906533 -0.14954515 Nb 8.11018953 6.01936539 6.07587450 -0.17513420 0.33199230 -0.17089079 Nb 0.03200029 8.06444492 4.00531338 -0.86486360 0.17975890 0.28201381 Nb 2.05128338 10.06453813 4.00796784 -0.20143555 0.94001726 0.12202342 Nb 2.04462001 8.09632083 6.03208364 -0.19380158 0.01803850 0.12348198 Nb 0.02527186 10.09515835 6.02934750 0.42544506 -0.40263928 0.03307163 Nb 4.02590813 8.06920633 4.02682962 0.05093187 0.16073577 0.09309928 Nb 6.09107332 10.09735157 4.05489071 -0.20965735 0.60982440 0.09564583 Nb 6.01482273 8.09655504 6.06562499 0.08421765 0.03138724 0.01899082 Nb 3.99954446 10.12157023 6.09267537 0.09772542 0.74157554 -0.09205618 Nb 8.11289798 8.06434866 4.03648179 0.20779997 0.12800334 -0.05368991 Nb 10.10166603 10.13526688 4.07008339 -0.41905831 -0.46684945 -0.03824201 Nb 10.07942387 8.04819171 6.06244038 0.65520181 0.21082833 -0.04687705 Nb 8.07741730 10.06490272 6.06673435 0.14660171 0.57016025 -0.02511801 Nb 0.00204211 0.02598144 8.05633016 0.32091516 0.11351363 0.02262542 Nb 1.98183878 1.96307459 8.10744306 0.32185207 0.32904944 -0.13145923 Nb 2.01438437 0.03844535 10.13598850 0.25235392 0.01129628 -0.46204236 Nb 0.03257206 1.98857461 10.09765654 -0.08147798 0.30019397 -0.27152158 Nb 4.03604306 0.02779392 8.07867762 0.14983968 -0.53180910 0.13685330 Nb 6.06124345 2.03748410 8.09477409 -0.10788488 -0.30106462 0.06812124 Nb 6.03391374 0.02520461 10.13344961 0.16809667 0.36260643 -0.56118854 Nb 4.01774758 2.02365802 10.10320127 0.13316515 0.15427396 0.59669173 Nb 8.09825108 0.00407492 8.04876174 -0.28433622 -0.55044587 0.70136752 Nb 10.08984081 2.04900394 8.08789690 0.51595761 -0.23696173 0.12959717 Nb 10.05791240 0.03357347 10.11655488 -0.91027785 0.94516028 -0.93800511 Nb 8.04260348 2.04379785 10.06098768 0.26586168 -0.29569881 0.62550784 Nb 0.03532814 4.03015992 8.04382280 -0.80382619 0.01643066 0.43014408 Nb 1.99216358 6.06910187 8.09000758 0.03634815 -0.02683785 0.07548019 Nb 1.96168103 4.03222662 10.12539239 0.18947000 0.07658128 0.41030605 Nb 0.02609126 6.09168664 10.11297610 0.03659990 -0.23879007 -0.38077920 Nb 4.05373217 4.00766130 8.06287846 -0.27398623 0.00396025 0.27055037 Nb 6.06211871 6.04554082 8.10286497 -0.10436477 0.25098648 -0.15007607 Nb 6.09658190 4.08385568 10.06482035 -0.21566385 -0.25442337 0.98570281 Nb 4.01459081 6.06655301 10.08906727 -0.07697768 -0.13821466 0.65273669 Nb 8.06185581 4.05069316 8.04663138 0.28457672 -0.10912140 0.26612143 Nb 10.12098366 6.02876966 8.04012354 0.64263668 0.11934902 0.58251896 Nb 10.07610787 4.00474551 10.11815680 -0.36410567 0.19430515 -0.40968341 Nb 8.09443391 6.06939422 10.05701272 0.25428197 -0.04330753 0.77583242 Nb 0.01223201 8.08159331 8.07362498 -0.54899634 0.17572919 -0.01172948 Nb 1.99111909 10.11020255 8.13112536 0.21172238 0.47243148 -0.29536322 Nb 1.99240207 8.06696595 10.07654354 0.43358419 0.42072661 0.64827511 Nb 0.03345807 10.09771487 10.09325651 0.43725542 -0.80387398 -0.52433312 Nb 4.03208964 8.08401690 8.07722778 -0.06062820 0.18300682 0.14752252 Nb 6.05870146 10.12789053 8.04187743 0.09937634 0.42988712 0.27098683 Nb 6.02111906 8.07428243 10.10286173 0.03093451 0.12856157 0.43666546 Nb 4.06990185 10.13372284 10.07761218 -0.17766678 -0.52717598 -0.40962840 Nb 8.11839128 8.06896200 8.11825227 -0.02899762 0.18444978 -0.12123191 Nb 10.06130419 10.10100414 8.10320071 -0.23741015 -0.43028463 -0.29073105 Nb 10.11993917 8.09275594 10.11168757 -0.38997365 -0.27063404 -0.60530490 Nb 8.08859709 10.05822546 10.09523490 -0.36833333 -0.35595519 -0.30246666