108 Lattice="12.331142246763363 0.0 0.0 0.0 12.331142246763363 0.0 0.0 0.0 12.331142246763363" Properties=species:S:1:pos:R:3:forces:R:3 energy=-752.746326969727 stress="-0.010344569706238649 0.0004315660991161481 -0.0005182411025466182 0.0004315660991161481 -0.01104401319754705 -0.0002217640942837811 -0.0005182411025466182 -0.0002217640942837811 -0.010101922286261219" free_energy=-752.746326969727 pbc="F F F" Ta 0.01434576 0.01060221 0.03954429 0.92412688 0.81932974 0.86916403 Ta 2.07311489 2.01648898 0.03366458 -0.66333414 -0.13242071 -0.69954754 Ta 2.08624818 0.03361085 2.05854532 -0.94242162 -0.84432682 -0.58924741 Ta 0.01948270 2.04617919 2.05357627 -0.37516752 -0.30501506 -0.32533259 Ta 4.10709997 0.01550494 0.01201960 0.31434980 0.24016909 0.22510947 Ta 6.20037515 2.05878667 0.01743931 -0.56026928 -0.42690962 -0.31101086 Ta 6.15678826 0.00173499 2.05305666 0.02206805 -0.42243668 -0.59986115 Ta 4.08898742 2.01755160 2.08458065 0.34907508 0.24251467 -0.84602888 Ta 8.21892084 0.02361509 0.01912568 0.48220365 0.43879655 0.52078467 Ta 10.29031371 2.04826426 0.02377874 -0.48986866 -0.36832813 0.24799364 Ta 10.29345722 0.00547577 2.04185407 -0.53086486 0.53774221 -0.35587442 Ta 8.25738855 2.09008108 2.02815702 0.26423573 -0.88398203 -0.28806555 Ta 0.02048077 4.09355973 0.02039010 0.23258039 -0.15758449 0.04931135 Ta 2.04502506 6.16158728 0.00508980 -0.18800732 0.29601132 -0.52240206 Ta 2.07598899 4.14501850 1.98323321 -0.35593944 -0.30107368 0.35194517 Ta 0.01237987 6.12451026 2.02030753 -0.48771800 0.45682925 -0.13413740 Ta 4.09866601 4.14209837 0.01395891 0.30833572 -0.21542998 -0.28061283 Ta 6.18989852 6.15224569 0.01657973 -0.30781530 0.10849094 -0.58702707 Ta 6.18189211 4.12804065 2.06278922 -0.50832517 -0.19125504 -0.29501720 Ta 4.13870039 6.20558653 2.09331471 -0.21037475 -0.35996505 -0.63351261 Ta 8.18069759 4.10168773 0.03682681 0.87454636 0.11159917 -0.70550178 Ta 10.23803203 6.14492025 0.03296353 -0.38829308 -0.04134226 0.16888719 Ta 10.30261661 4.08400473 2.03467149 0.36545997 0.26045940 -0.22304061 Ta 8.19091867 6.17177354 2.08663161 0.77840982 -0.15576729 -0.46231810 Ta 0.00922895 8.19130432 0.00795626 0.89143739 0.83167447 1.02937943 Ta 2.08441003 10.28644510 0.02904677 -0.67042676 -0.97825946 0.71614217 Ta 2.08992396 8.19972342 2.09581453 -1.11473200 0.88619958 -0.92930753 Ta 0.01328814 10.30548509 2.02913609 1.18376067 -1.36132404 -0.29517010 Ta 4.15193323 8.22110591 0.00089227 -0.24751651 0.37763614 -0.35361014 Ta 6.19199638 10.28379798 0.02211020 -0.08636520 -0.25878653 0.25587811 Ta 6.18494251 8.22157248 2.05631325 -0.20099740 0.52415141 -0.25541673 Ta 4.13693453 10.24088035 2.01633493 -0.09757911 0.52427392 0.02967540 Ta 8.19611217 8.24668512 0.04084089 0.77311487 0.33834851 -0.78875867 Ta 10.27479251 10.25246824 0.03147880 -0.99116105 -0.73117413 0.74802426 Ta 10.24692985 8.21219654 1.99593136 0.56846373 0.50921357 0.31682204 Ta 8.23935858 10.24617189 2.08424126 0.65886253 0.63687536 -0.42101184 Ta 0.07444172 0.02924784 4.13181529 -0.03215102 0.06887350 -0.33044706 Ta 2.06212824 2.07379161 4.10687245 -0.53291739 -0.07331716 0.16150110 Ta 2.04124229 0.01665323 6.15346906 -0.01701789 -0.30568614 0.36491060 Ta 0.00614787 2.01795072 6.14449424 -0.22015325 0.15837246 0.29651806 Ta 4.08007917 0.00647770 4.08576270 0.28189315 -0.60070188 0.48709036 Ta 6.12960102 2.05320863 4.05474890 0.31694813 -0.37533721 0.25696821 Ta 6.21599798 0.03118249 6.14452521 -0.32414718 -0.41635524 -0.02135256 Ta 4.14861204 2.07889965 6.15863730 -0.31966275 -0.69430998 0.06195119 Ta 8.22553919 0.02075712 4.03048036 0.47298616 -0.42398404 0.47641750 Ta 10.26360419 2.04857980 4.10862353 0.54122901 -0.37202916 0.15925280 Ta 10.28189748 0.00146206 6.12944404 -0.83211130 0.69151373 0.14460079 Ta 8.18793948 2.05127658 6.13105066 0.87327523 -0.35683916 0.20496749 Ta 0.00348770 4.15111266 4.11440757 -0.33098534 -0.58104512 -0.17295743 Ta 2.03310303 6.13814854 4.13795860 -0.00653547 0.14174547 -0.36650488 Ta 2.05203333 4.14076551 6.19470395 -0.29602680 -0.56245628 -0.14606459 Ta 0.04069166 6.15301325 6.12584524 -0.99238784 0.08872271 0.36578571 Ta 4.09417713 4.08538001 4.13548505 -0.02760817 0.33728179 -0.35205887 Ta 6.14607927 6.18901069 4.09955265 0.16887111 -0.37972954 0.26404285 Ta 6.12610072 4.10011453 6.13911580 0.48961303 0.22171467 0.07946772 Ta 4.11491383 6.17364461 6.18218239 -0.09087300 -0.18607500 -0.17887412 Ta 8.23497565 4.07469154 4.08507605 0.31794356 0.37906391 0.38499920 Ta 10.27970679 6.13521238 4.07834010 0.29575584 0.10848904 0.19137920 Ta 10.29665803 4.14991927 6.19303088 0.06108302 -0.31192580 -0.14779842 Ta 8.24879451 6.16726103 6.17164128 0.05862072 -0.19768726 0.01729431 Ta 0.00483514 8.19287285 4.12059815 -0.14883216 0.85739052 -0.36935242 Ta 2.05289380 10.27479637 4.12789032 -0.74286154 0.16556579 -0.43528202 Ta 2.03618620 8.20898956 6.20490375 -0.07873103 0.63546615 -0.33917352 Ta 0.03482823 10.24810893 6.17889996 0.21012258 -0.23782808 -0.15926413 Ta 4.08395076 8.21348511 4.12564248 0.06225198 0.55546094 -0.03465611 Ta 6.18431823 10.26680550 4.11219810 -0.13745534 0.32373743 0.10644468 Ta 6.11470264 8.19299304 6.13496674 0.45175009 0.63989954 0.22215655 Ta 4.08150133 10.27411262 6.12870408 0.16543341 0.33800251 0.29427724 Ta 8.21546371 8.18380477 4.14253249 0.83986033 0.91386092 0.09591618 Ta 10.27246407 10.27278085 4.12313808 -0.91442859 -1.00200089 0.24234887 Ta 10.27817563 8.19424346 6.18655666 0.11659074 0.89955382 -0.32850991 Ta 8.18597926 10.29524691 6.19864638 0.84063658 -0.03168104 -0.37689804 Ta 0.02355518 0.04055311 8.24765738 0.61433031 0.34504666 0.10492362 Ta 2.09373167 2.07130836 8.23059531 -0.92574597 -0.54578137 0.39447542 Ta 2.06892472 0.02480571 10.29523614 -0.26008359 0.49744074 -0.66405891 Ta 0.01013667 2.01758658 10.27227356 0.63725097 0.16829600 -0.51456236 Ta 4.13354156 0.03907145 8.23755070 -0.13034773 -0.59762359 0.11751333 Ta 6.13843214 2.07708153 8.24221435 0.40901609 -0.68502620 0.25040886 Ta 6.12643569 0.00060903 10.29976853 0.35388675 0.46657713 -0.52751963 Ta 4.13183994 2.05909560 10.26043822 -0.25873590 -0.32066033 0.78954129 Ta 8.21364770 0.03362179 8.22136836 0.73953494 -0.26867202 0.53306241 Ta 10.29436665 2.03868275 8.19751630 -0.07380945 -0.55453535 0.53247981 Ta 10.26990694 0.01612481 10.27628264 -0.96097288 0.96908176 -1.18409114 Ta 8.23406956 2.02727717 10.27230928 0.34782663 -0.48915162 0.22549116 Ta 0.01177146 4.14083073 8.22023033 -0.38849806 -0.29064324 0.54041815 Ta 2.06445805 6.14809292 8.19789950 -0.49784040 0.25957394 1.01618957 Ta 2.03093367 4.14275063 10.25950617 -0.35157610 -0.21373347 0.43915910 Ta 0.00881300 6.16550185 10.29951758 0.63173365 0.24977741 -0.74289222 Ta 4.12405205 4.11753629 8.25375637 -0.15700654 0.04586109 0.11576598 Ta 6.13997928 6.15452234 8.22885629 0.63570125 0.09992175 0.28821600 Ta 6.15884637 4.12448956 10.27373638 0.27386787 -0.06474876 0.67517645 Ta 4.14123791 6.17905684 10.28446753 -0.48008389 -0.09088613 0.58661690 Ta 8.20149318 4.07992387 8.22128795 0.72831459 0.24441558 0.36263479 Ta 10.27437514 6.18692602 8.20941196 -0.00584827 -0.24911319 0.77889687 Ta 10.23989373 4.07571638 10.28157833 -0.41512628 0.14138085 -0.64914961 Ta 8.21926177 6.13135013 10.30971014 0.49969874 0.26656181 -0.27833831 Ta 0.03670464 8.20791752 8.19041554 -0.31051142 0.60076807 1.25933216 Ta 2.06056513 10.30000458 8.21895873 -0.50585226 -0.10768794 0.85370712 Ta 2.07982486 8.23261603 10.29817139 -0.83691431 0.51990114 -0.24127307 Ta 0.00292317 10.25529532 10.27597880 1.24462626 -1.18363833 -1.21077327 Ta 4.13283191 8.18697432 8.22077120 -0.38836472 0.80999626 0.49717734 Ta 6.14773799 10.23877883 8.22839923 -0.03528150 0.54204367 0.21963436 Ta 6.12820475 8.19427125 10.31200383 0.56761547 0.45214524 0.24223622 Ta 4.13952294 10.25362669 10.25092078 -0.35602958 -0.31863159 -0.27185705 Ta 8.18906861 8.28262018 8.22615657 0.66641976 -0.28451963 0.42730403 Ta 10.29333075 10.26559126 8.22646567 -0.79474540 -0.63294804 0.18580962 Ta 10.26070433 8.21076718 10.24308426 -0.69047517 0.29059790 -0.46587178 Ta 8.21280061 10.25780813 10.25617965 0.38019411 -0.49204644 -0.43218359