108 Lattice="12.162925041511262 0.0 0.0 0.0 12.162925041511262 0.0 0.0 0.0 12.162925041511262" Properties=species:S:1:pos:R:3:forces:R:3 energy=-637.2701285084723 stress="-0.003507083252824779 0.0005572911688984998 -4.962053014338212e-05 0.0005572911688984998 -0.004633341918598517 0.0003041376827060995 -4.962053014338212e-05 0.0003041376827060995 -0.007798584365060433" free_energy=-637.2701285084723 pbc="F F F" Nb 0.02095225 0.03309823 0.02652645 1.27740768 0.87719926 1.17391654 Nb 2.02756844 2.00740214 0.00013352 -0.18139354 0.09668225 -0.33719058 Nb 2.00779684 0.03921126 2.03511607 -0.10920223 -0.52421201 -0.22391737 Nb 0.00256748 2.03928121 2.03549728 -0.41397724 -0.12803125 -0.13775393 Nb 4.09336249 0.01244531 0.03108711 -0.25566723 0.49219033 0.54583923 Nb 6.05887322 2.06229919 0.00818578 0.67846034 -0.52273609 -0.76991951 Nb 6.05616285 0.02867144 2.05081924 0.30097954 -0.90664955 -0.57135962 Nb 4.08320873 2.02936625 2.01564822 -0.48448248 -0.32209246 -0.41734425 Nb 8.15658282 0.00935822 0.01358447 -0.42128581 1.26272659 0.93492445 Nb 10.14366379 2.03873986 0.00662534 -1.23179507 0.33945450 0.90287562 Nb 10.09554008 0.00967880 2.07703916 -0.76262718 0.83232510 -0.00497817 Nb 8.13444856 2.03776629 2.04906043 0.40626322 -0.61241761 -0.87154079 Nb 0.01418838 4.01760179 0.02728574 0.58274252 0.75858028 0.59476996 Nb 2.04310481 6.14604412 0.03256087 -0.56529180 -0.37111808 -1.05246790 Nb 1.99584461 4.09381606 2.00576423 -0.31993160 -0.62256236 -0.50143245 Nb 0.02014132 6.07700500 2.05949639 -1.08483350 0.19252272 -0.56324645 Nb 4.03765564 4.03469184 0.00523438 -0.18667341 -0.11937135 -1.05241050 Nb 6.05913064 6.04551990 0.00655352 0.50219118 0.65725232 -1.07774883 Nb 6.11136401 4.08701919 2.03024333 -0.08789452 -0.18613635 -0.20162719 Nb 4.03060352 6.06050797 1.99450937 0.12251327 0.15522371 0.02623959 Nb 8.08098403 4.08949850 0.02848080 0.50039510 -0.65726225 -1.09111276 Nb 10.14836838 6.11817564 0.00548166 -0.74051433 -0.37641826 0.42982530 Nb 10.10142591 4.05567041 2.00854938 1.01650607 -0.19039831 -0.14106105 Nb 8.14418913 6.06011704 1.98750202 0.34109984 0.53386429 -0.11782603 Nb 0.02353336 8.14700195 0.03667069 0.84662041 -0.62003998 0.76632835 Nb 2.01313620 10.10037874 0.03880538 0.06656593 -0.78741161 0.71011966 Nb 2.05106565 8.10291584 2.05903425 -0.50164370 0.62434698 -0.49836651 Nb 0.03088015 10.10804412 2.04650235 0.68061487 -0.72205707 0.23863414 Nb 4.05824085 8.07108194 0.02579745 0.07847942 0.63677476 -0.85763783 Nb 6.05358818 10.12825098 0.00811184 0.91835246 -1.00072218 0.78427976 Nb 6.04371287 8.07596110 2.05947115 0.49409266 0.74349207 -0.81840764 Nb 4.04510254 10.15192546 2.06435708 0.29747067 0.60237338 -0.47617717 Nb 8.14202653 8.08498693 0.03607401 -0.19364182 0.41309723 -0.43628611 Nb 10.17288183 10.12188570 0.02142292 -1.81332291 -0.90089161 1.07163155 Nb 10.16387340 8.08960831 2.02828059 0.31901213 0.28521984 -0.07332776 Nb 8.16938022 10.16832401 1.99345807 -0.39429241 -0.10876189 0.02586466 Nb 0.00890166 0.03567736 4.09011782 0.40068834 0.49639900 -0.46217515 Nb 2.04516217 2.05119412 4.08703679 -0.63879156 -0.28912296 -0.63863881 Nb 2.01601670 0.01497774 6.05962982 -0.24743008 -0.90342701 0.60176844 Nb 0.00756616 2.03000439 6.07867929 -0.93486133 -0.28911248 0.24331584 Nb 4.01389240 0.03194462 4.08322148 0.10538740 -1.21855454 -0.40707854 Nb 6.07971781 2.02804628 4.02499909 0.05220239 -0.25799617 0.10940521 Nb 6.08463583 0.00150325 6.04990838 0.06649476 -0.83778008 0.40143831 Nb 4.04094547 2.03412963 6.04116910 0.24937382 -0.30020032 0.55424592 Nb 8.09082924 0.03259260 4.02116994 0.40108966 -0.96372889 0.13660652 Nb 10.13822556 2.05824844 4.04077298 0.90827258 -0.42640044 0.09597890 Nb 10.10035699 0.00969734 6.12860129 -0.47264552 0.66266494 -0.22782741 Nb 8.13935731 2.05460599 6.04512789 0.36665753 -0.70618870 0.43747067 Nb 0.01060559 4.08225449 4.08059405 -1.05009253 -0.42821112 -0.22598080 Nb 2.02969652 6.02785990 4.01612420 -0.07223818 0.34385109 0.31952900 Nb 2.04897444 3.99679628 6.12970983 -0.33218769 0.36627233 0.05590106 Nb 0.03182514 6.07838487 6.04494837 -0.87542999 0.25441983 0.51416902 Nb 4.07944997 4.04059425 4.03957385 -0.06305944 0.09344761 -0.05337112 Nb 6.08640492 6.11515568 4.04856232 0.09972150 -0.20968545 0.03934364 Nb 6.11057053 4.02306917 6.12715813 -0.12078730 0.17563217 -0.09938493 Nb 4.06052503 6.06715235 6.05391996 -0.08069002 0.03759309 0.29489634 Nb 8.07563122 4.01538736 4.08478406 0.42867125 0.35539268 -0.31741855 Nb 10.16107042 6.08015260 4.01706288 0.70751976 0.14036763 0.20437056 Nb 10.12184423 4.06783789 6.10128857 1.16071525 -0.26974524 -0.07910834 Nb 8.13043092 6.06143375 6.04850687 0.19248185 0.38344079 0.19783668 Nb 0.00566479 8.08050057 4.03340475 -0.76480399 0.48290581 0.23562957 Nb 2.00882290 10.12211856 4.04612805 -0.19595891 0.79354748 0.22079459 Nb 2.06378745 8.11110670 6.05869104 -0.61807253 0.44220193 0.30113457 Nb 0.02157508 10.13459390 6.11870658 0.73566402 -0.75409074 -0.28428396 Nb 4.05880617 8.13347643 4.08082183 -0.13946183 0.15942067 -0.21807109 Nb 6.07653876 10.12563042 4.01681811 0.34265888 1.02869135 0.14792005 Nb 6.06860736 8.12594238 6.09266115 0.31541514 0.24358541 0.20031307 Nb 4.08244879 10.12541870 6.09743778 -0.32727852 0.98623663 0.34891301 Nb 8.08303201 8.10883740 4.01381671 0.69782004 0.49202766 -0.03492699 Nb 10.12819230 10.10147279 4.05542929 -0.61085927 -0.48465987 -0.22244346 Nb 10.14898769 8.09753305 6.08573107 0.50666038 0.26813817 0.28660970 Nb 8.12007447 10.10342767 6.08004376 0.27991866 0.73250628 0.16766347 Nb 0.01638268 0.02669795 8.07982243 0.92584031 0.75143789 0.17101245 Nb 2.02961133 2.01142495 8.13662378 -0.47101981 -0.66563730 0.44225974 Nb 2.03827693 0.03981172 10.14516858 -0.03166693 0.73321886 -1.11304165 Nb 0.00245819 2.07708744 10.13330680 0.76882526 -0.16408435 -0.88970492 Nb 4.07951404 0.03702399 8.09921539 -0.32854528 -0.83453748 0.31206954 Nb 6.11917814 2.02475278 8.12959763 -0.01730297 -0.49926582 0.34825584 Nb 6.04782045 0.01994117 10.11336092 0.88712232 0.73213126 -0.63438597 Nb 4.03217247 2.03112276 10.12977199 0.24906131 -0.27904946 0.73554650 Nb 8.08589700 0.03453817 8.08957588 0.29951485 -0.63519677 0.19229021 Nb 10.16009491 1.98313463 8.12153292 0.42285369 0.05314734 -0.00539787 Nb 10.15875623 0.03426572 10.13955192 -1.68156229 0.93650555 -0.99931045 Nb 8.15076939 2.04900150 10.11205171 -0.15735569 -0.24611986 0.52449953 Nb 0.01882125 4.02037762 8.12904010 -0.86126206 0.25044674 0.16958675 Nb 2.01014191 6.08368947 8.14469093 -0.35714574 0.18465951 0.23516148 Nb 2.02907708 4.02229071 10.09998240 -0.18322443 0.26194205 0.96320464 Nb 0.03683717 6.06331656 10.09888583 0.55101770 0.67653063 -0.52775629 Nb 4.11126146 4.07192024 8.10479198 -0.37307989 -0.08535214 0.27576274 Nb 6.09337262 6.14220213 8.16617479 0.12348132 -0.07392459 -0.22908483 Nb 6.07573844 4.08751084 10.10137448 0.43053909 -0.53471179 1.19743489 Nb 4.08851683 6.08396794 10.16234694 -0.48702396 0.17666217 0.87503663 Nb 8.11575057 4.07893132 8.10729735 0.49583049 -0.29182454 0.43139062 Nb 10.13058950 6.05983519 8.10778987 0.81166260 0.68503894 0.23704782 Nb 10.15999123 4.04804755 10.10703140 -0.74934330 0.49390283 -0.46108320 Nb 8.11241297 6.04431000 10.11245302 0.50298627 0.79515219 0.95737396 Nb 0.03222372 8.12702780 8.10000969 -0.46403152 -0.01820549 0.02183699 Nb 2.01961702 10.17268010 8.13127048 0.23413422 0.16603633 -0.09663722 Nb 2.06326826 8.14370977 10.11106532 -0.30692446 -0.04555358 0.59915803 Nb 0.03170396 10.14497247 10.13545193 1.21155552 -1.36502796 -0.99260097 Nb 4.02689542 8.07696805 8.12983920 -0.05840220 0.73708338 0.22733778 Nb 6.14608721 10.15253553 8.14651809 -0.34301546 0.65633276 -0.03987429 Nb 6.06415271 8.13738152 10.09936517 0.39331875 0.38899677 1.11406941 Nb 4.09191585 10.14429479 10.14866942 -0.43553743 -0.62554441 -0.73283979 Nb 8.14812366 8.11503361 8.14755755 0.66367494 0.59713613 0.37671431 Nb 10.13306544 10.16881543 8.05639449 -0.97281993 -1.44686205 0.27578594 Nb 10.12297679 8.14617104 10.16287117 -1.08003366 -0.61063722 -1.39378186 Nb 8.06248148 10.15626118 10.16052747 0.23381735 -1.27870039 -1.32398987