108 Lattice="12.162921120057256 0.0 0.0 0.0 12.162921120057256 0.0 0.0 0.0 12.162921120057256" Properties=species:S:1:pos:R:3:forces:R:3 energy=-637.4235865908845 stress="-0.004532906852432398 9.907001399403106e-05 -0.000317468229373612 9.907001399403106e-05 -0.0020779829386639334 -9.812697300892831e-05 -0.000317468229373612 -9.812697300892831e-05 -0.003834871463469047" pbc="F F F" Nb 0.02819019 0.01280205 0.03139923 0.90954640 1.26160703 0.89467035 Nb 2.05162482 1.99828716 0.00869795 -0.29110523 0.34452330 -0.53479725 Nb 2.03604667 0.00154353 1.95097144 -0.30677818 -0.54937163 0.25199020 Nb 0.01712599 2.01778730 2.04291072 -0.50605637 -0.06594070 -0.13608100 Nb 4.03986509 0.02940857 0.01386268 0.57896579 0.42691320 0.48536877 Nb 6.08799767 1.97430401 0.00530396 0.19979288 0.12193212 -0.51535280 Nb 6.05782279 0.00975927 2.06325387 0.62862805 -0.72557507 -0.46616196 Nb 4.03088577 2.00425032 2.02433989 -0.00414259 -0.24813171 -0.44103966 Nb 8.14479501 0.01676960 0.00348906 -0.66438708 1.10179727 1.22759988 Nb 10.10162318 2.04290163 0.02757323 -0.80038653 -0.06136963 0.79143593 Nb 10.14221987 0.01215822 2.03575971 -1.17625529 1.03924284 0.04932242 Nb 8.12033410 2.03144117 2.06681159 0.37132075 -0.56572145 -0.90726206 Nb 0.00058418 4.08381962 0.01386791 1.01194561 -0.56091137 0.58749858 Nb 2.03713518 6.11623732 0.00612322 -0.24026862 -0.35636559 -0.74993558 Nb 2.05281938 4.06116279 2.02521293 -0.37334546 -0.24041445 -0.64982629 Nb 0.03293715 6.07607443 2.06305251 -1.00826155 0.10134013 -0.52163068 Nb 4.08811058 4.06748006 0.00439372 -0.52362684 -0.29412774 -0.91492617 Nb 6.08769728 6.09758285 0.03925769 0.40612490 -0.05774416 -1.18843578 Nb 6.04921127 4.06024075 2.06355909 0.41401559 -0.33252393 -0.61329561 Nb 4.10003366 6.06655538 2.03991570 -0.43007777 0.38433207 -0.23561744 Nb 8.10180655 4.07846816 0.00603091 0.21668045 -0.28347991 -0.60343508 Nb 10.16521760 6.06155919 0.01415217 -0.93275600 0.86083191 0.56508294 Nb 10.11344762 4.08985545 2.02252230 0.79021468 -0.44622917 -0.26498564 Nb 8.09893020 6.09140416 1.99628067 0.48923268 0.14393284 -0.32110245 Nb 0.01725837 8.09875678 0.03123238 0.80535729 0.05915634 0.78054648 Nb 1.98866715 10.12205027 0.01855269 0.51931159 -0.83824147 0.86977637 Nb 1.99525978 8.10232254 1.99509955 -0.21149918 0.69969266 -0.23375390 Nb 0.00911422 10.09730395 2.04141161 1.02640471 -0.70864549 0.55284346 Nb 4.06901514 8.07846917 0.00964179 -0.28899607 0.56280293 -0.66345205 Nb 6.06476648 10.13655501 0.01243022 0.23365086 -0.56071325 0.74041482 Nb 6.06956845 8.13992083 2.02719458 0.20616417 0.41609091 -0.37141810 Nb 4.07952045 10.15562743 2.04395371 -0.50180586 0.42952291 -0.34932762 Nb 8.11215191 8.16644442 0.00752946 0.24952864 -0.20030150 -0.43459203 Nb 10.15312017 10.16478074 0.03513268 -1.46437275 -1.62705052 0.87314734 Nb 10.14688657 8.11133162 2.04815444 0.48041827 0.20571487 -0.33335332 Nb 8.09946725 10.12308271 2.03786196 0.26059824 0.68347678 -0.12099250 Nb 0.01163770 0.02008242 4.03406373 0.54822363 0.67298417 0.27902438 Nb 2.00537972 2.03767338 4.08534113 -0.42748322 -0.39561634 -0.40876244 Nb 2.02076394 0.04013505 6.06677775 -0.31242281 -0.92697067 0.25946117 Nb 0.01641914 2.06502536 6.12888315 -0.81864941 -0.45985501 -0.21995243 Nb 4.03377827 0.03862749 4.07249319 -0.03432414 -1.10201224 -0.27866764 Nb 6.06405121 2.05374560 4.03831046 0.16812657 -0.55916954 0.08725566 Nb 6.09412795 0.01090758 6.08601030 0.16267181 -0.80263129 0.30715729 Nb 4.01095898 2.04971058 6.08530939 0.27901798 -0.36570043 0.13371798 Nb 8.10054009 0.02288121 4.07862543 0.22563687 -0.88326189 -0.40636350 Nb 10.09600086 2.00182730 4.06704981 1.06601482 -0.07989689 -0.19545039 Nb 10.17516722 0.02579757 6.07119810 -0.83147696 0.46917555 0.32799598 Nb 8.13032636 2.02853477 6.12305950 0.31243340 -0.34251113 0.04709996 Nb 0.02961896 4.07355607 4.02558663 -1.20834948 -0.49467500 0.01682852 Nb 1.99733485 6.04256094 4.05822820 0.13614686 0.58771717 -0.15145633 Nb 2.06376957 4.08319907 6.11931115 -0.46018655 -0.27922279 -0.24081573 Nb 0.03351900 6.05383383 6.04643176 -1.28732906 0.67372864 0.53782057 Nb 4.07973610 4.05627777 4.06701003 -0.39827295 -0.13494069 -0.24665083 Nb 6.10641728 6.06984493 4.06575904 0.24719289 0.31727909 -0.16736458 Nb 6.07289320 4.04646414 6.05104847 0.33843020 -0.24507624 0.39883572 Nb 4.09088446 6.04997569 6.04229828 -0.24843107 0.41389999 0.23370951 Nb 8.11307394 4.03257727 4.08119804 0.42382694 0.15130295 -0.18504430 Nb 10.15316427 6.09583680 4.01383663 0.79189712 0.14703554 0.28304012 Nb 10.16675767 4.03699168 6.06347946 0.59474125 0.22795147 0.59444992 Nb 8.09517040 6.10572313 6.06997619 0.50245392 0.06622203 0.19497618 Nb 0.00444266 8.10938550 4.08362772 -0.49562659 0.50438617 -0.08259665 Nb 2.06094325 10.14200975 4.01839959 -0.38076694 0.29213859 0.33166550 Nb 1.99747064 8.09033903 6.13638618 -0.26537034 0.74347225 -0.39076575 Nb 0.03835964 10.16159057 6.13513330 0.71114222 -1.04902527 -0.62861071 Nb 4.08749466 8.07938972 4.08001675 -0.51888501 0.49391174 -0.27343632 Nb 6.10854598 10.13608747 4.08873411 0.14451621 0.91394817 -0.38826718 Nb 6.04107513 8.12648326 6.12940663 0.58359228 0.29667614 -0.11903908 Nb 4.06389772 10.15614551 6.04553007 -0.29486569 0.76317986 0.37718524 Nb 8.14085261 8.12107583 4.01979056 0.31848036 0.47909504 0.20541164 Nb 10.16102617 10.17486032 4.02735685 -0.83011581 -0.95988508 0.75386088 Nb 10.12078875 8.10977648 6.06543571 0.63604558 0.28783969 0.28862194 Nb 8.11577988 10.17623829 6.10705666 0.35057138 0.43748459 -0.19058736 Nb 0.03006925 0.02165465 8.10157426 0.77913512 0.88179727 -0.19690060 Nb 2.05821456 2.04292961 8.14386446 -0.78687519 -0.67267763 0.46612747 Nb 2.06968952 0.02605925 10.14548432 -0.13617701 0.83498323 -1.05955604 Nb 0.01858909 2.00650725 10.09698239 0.88935695 0.61727028 -0.78567793 Nb 4.04327958 0.02314479 8.08289907 0.00078500 -0.88243581 0.37317070 Nb 6.08200673 2.03124260 8.14353422 0.16034743 -0.40559519 0.17751878 Nb 6.05520317 0.03225456 10.16297166 0.31502382 0.46435659 -0.82555611 Nb 4.06942149 2.06263324 10.09548069 -0.17073822 -0.42551998 1.11984185 Nb 8.08356361 0.02121891 8.08489976 0.23639070 -0.62875152 0.31423427 Nb 10.15248039 2.00361549 8.08682987 0.37200388 0.22041323 0.31327900 Nb 10.09645476 0.00310528 10.13221001 -1.03432115 1.02629193 -1.19161751 Nb 8.13163503 2.00327745 10.13920198 0.21237160 0.11479724 0.44468117 Nb 0.02620429 4.06664150 8.07164857 -0.95239931 -0.21789623 0.58154468 Nb 2.02381322 6.08291327 8.08502741 -0.35775921 0.13987285 0.61504356 Nb 2.02629802 4.07064420 10.12989636 -0.35996335 -0.21561530 0.89879684 Nb 0.03305369 6.12067321 10.13504054 0.40751030 -0.70148082 -0.77867614 Nb 4.01654626 4.08745624 8.09993371 0.28456358 -0.19445759 0.37300348 Nb 6.06296388 6.04679079 8.09431735 0.26164780 0.38875524 0.40394290 Nb 6.09333684 4.04823029 10.12768928 0.36704358 -0.00445640 1.04190774 Nb 4.04334990 6.06519842 10.13233493 0.05235072 0.31310083 0.94527082 Nb 8.08716272 4.06197919 8.13049675 0.86346405 -0.12957493 0.34915067 Nb 10.12141056 6.09761860 8.09903574 0.59011696 -0.21574265 0.21104019 Nb 10.17387918 4.02669037 10.15060657 -1.15096987 0.73105744 -1.20763594 Nb 8.08286860 6.10390670 10.11611156 0.52423021 -0.22165967 0.69359634 Nb 0.01445855 8.07062116 8.16209814 -0.76456078 0.28904504 -0.06323805 Nb 1.99238475 10.13483524 8.11881676 0.12687726 0.53932835 -0.17234957 Nb 2.06266562 8.08138843 10.11467204 -0.19435313 0.29540775 0.73887814 Nb 0.03541647 10.11038801 10.10312496 0.99535111 -0.80038310 -0.88526330 Nb 4.03767220 8.10041752 8.07310619 0.02813576 0.50524544 0.57417449 Nb 6.11119268 10.12488710 8.10821082 -0.29102155 0.75986501 0.33784389 Nb 6.06252603 8.10260088 10.16201654 0.25813950 0.19516764 0.50381131 Nb 4.07069844 10.11858421 10.09749267 -0.18991166 -0.56312974 -0.58073600 Nb 8.14352725 8.14169367 8.11900271 0.40467898 0.34727106 0.48544531 Nb 10.10220114 10.13834306 8.13518372 -0.69122457 -0.89499849 -0.69616113 Nb 10.11776351 8.14104746 10.13149957 -0.93413580 -0.79674015 -1.04309374 Nb 8.06645299 10.11320674 10.12091735 0.08250003 -0.67194092 -0.65905112