108 Lattice="12.478883318785847 0.0 0.0 0.0 12.478883318785847 0.0 0.0 0.0 12.478883318785847" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1130.6709189661829 stress="-0.006964344271580122 -0.00016231033264575828 -0.0006271861623894881 -0.00016231033264575828 -0.006773027575923218 0.00013693952164300032 -0.0006271861623894881 0.00013693952164300032 -0.006981044788104067" free_energy=-1130.6709189661829 pbc="F F F" Ta 0.00599317 0.03791050 0.00253083 0.69890543 0.69998049 0.67255066 Ta 2.11638963 2.09246421 0.00803134 -0.37165281 -0.13029555 -0.72264022 Ta 2.11579727 0.02606963 2.05272601 -0.27558603 -0.80465202 0.12437587 Ta 0.03120142 2.10222091 2.07640601 -0.72945853 -0.09635456 -0.09085337 Ta 4.14660153 0.02432593 0.02595712 0.34560376 0.64779508 0.58224985 Ta 6.27119609 2.07199139 0.02192970 -0.22581550 -0.01440715 -0.65094396 Ta 6.26691209 0.01377544 2.07846557 -0.30996730 -0.59706309 -0.05751712 Ta 4.15053390 2.11893986 2.07452161 0.26649859 -0.93716706 -0.30608868 Ta 8.34554000 0.01504766 0.03530363 -0.09917163 0.45216101 0.50018478 Ta 10.35834977 2.11438459 0.00563004 -0.40157378 -0.09375166 0.52999091 Ta 10.42353497 0.01987101 2.13013162 -0.57976621 0.46627024 -0.03539505 Ta 8.33066691 2.05161093 2.10722129 0.91901795 -0.68805767 -0.84489980 Ta 0.02277628 4.14028768 0.01360409 0.63588907 0.24118922 0.66852438 Ta 2.10190719 6.22068477 0.02290940 -0.04194901 0.09707258 -0.75255722 Ta 2.11238689 4.21829293 2.04707461 -1.07104561 -0.24453197 -0.21700777 Ta 0.01507337 6.26275063 2.11606480 -0.67248278 -0.24125782 -0.28069915 Ta 4.12054105 4.11840677 0.02553328 0.61188497 0.44248619 -0.70088778 Ta 6.24083499 6.23713076 0.03863028 -0.35282485 -0.41553031 -0.58788305 Ta 6.27868610 4.12046203 2.06332341 -0.23361571 0.40631905 -0.51759862 Ta 4.15545686 6.26146129 2.10612964 0.67749001 -0.31126192 -1.00382747 Ta 8.34099124 4.14502807 0.00592092 -0.10544212 0.39091460 -0.50932749 Ta 10.38263683 6.25562795 0.01068001 -0.68397688 -0.19575940 0.86489078 Ta 10.37832614 4.12006673 2.06632743 0.47249441 0.57047215 0.18877588 Ta 8.28521784 6.27773033 2.07213138 1.25667753 -0.52985860 -0.69101033 Ta 0.03928962 8.31810943 0.02222732 0.57646435 -0.15038675 0.61229762 Ta 2.06420148 10.41618494 0.03793471 0.31588594 -0.63671897 0.60464862 Ta 2.11479911 8.32537377 2.07904813 -0.96968799 0.87764872 -0.87204975 Ta 0.02229157 10.39727556 2.11453459 0.51559117 -0.51794710 0.00725755 Ta 4.19519951 8.32218329 0.00584807 -0.04077213 0.06264995 -0.57522385 Ta 6.24768933 10.40414285 0.01430230 -0.13736637 -0.58678425 0.55816178 Ta 6.26174986 8.35211468 2.05626296 -0.52157992 0.60049739 -0.44592964 Ta 4.17533139 10.37982962 2.11138129 0.13914882 0.69463715 -0.15609818 Ta 8.30291515 8.28388045 0.01091250 0.30151372 0.37485619 -0.67363952 Ta 10.42679987 10.41097065 0.03238959 -0.83917776 -0.82025477 0.79038530 Ta 10.43796041 8.32992595 2.11210406 0.38422259 -0.01053274 -0.21011182 Ta 8.28053588 10.38557656 2.08781700 0.50605613 0.69215471 -0.23326617 Ta 0.00702142 0.01235839 4.19465548 0.71742194 0.58344021 -0.07307416 Ta 2.01665303 2.06895581 4.12317552 0.12109150 -0.36055416 0.35801844 Ta 2.12125131 0.04089258 6.25548969 -0.15606792 -0.86196297 -0.36567480 Ta 0.03171355 2.04294483 6.24570340 -0.67222255 0.33907142 -0.20257222 Ta 4.19140004 0.00764883 4.13965976 0.07347947 -0.17707090 0.21432100 Ta 6.24486529 2.09356979 4.13512670 -0.37665963 -0.53039427 0.39223714 Ta 6.26559486 0.03791904 6.29828366 -0.28526640 -0.69360726 -0.33638877 Ta 4.16677520 2.04153894 6.26567629 0.09094791 0.16130327 -0.66947424 Ta 8.32386500 0.03184069 4.19289451 -0.26414610 -0.99838337 -0.14765164 Ta 10.41660616 2.05602512 4.11920648 0.65299380 0.34236469 0.36076664 Ta 10.36690030 0.02596035 6.17367793 -0.39148637 0.60855680 0.15242650 Ta 8.29300021 2.04493241 6.19795669 1.00537712 -0.08354111 0.32572700 Ta 0.02658633 4.17441450 4.15863661 -0.43351196 0.14956434 0.20370032 Ta 2.09486641 6.25574935 4.12541810 -0.82215081 -0.29099780 0.45636323 Ta 2.07427085 4.19271422 6.25031199 -0.61563702 -0.28685688 -0.33862429 Ta 0.01323334 6.24538868 6.26649735 -0.42385118 -0.11926478 -0.31360781 Ta 4.19406030 4.19294112 4.16477960 -0.15905767 -0.36355821 0.19573818 Ta 6.27028845 6.23491556 4.11841992 -0.10266841 -0.20665123 0.32785344 Ta 6.27242108 4.19676107 6.26329332 -0.24185945 -0.17176024 -0.17384928 Ta 4.15701264 6.19710502 6.22957710 0.24697258 0.23352687 -0.36438352 Ta 8.34583834 4.17404335 4.19398898 0.43291701 0.13350367 -0.31462551 Ta 10.40181489 6.25307505 4.19402631 0.45699245 -0.26281165 -0.37445815 Ta 10.36436185 4.20712799 6.18668173 0.57326884 -0.30639696 0.20059924 Ta 8.32158828 6.27152001 6.25719976 0.49001723 -0.11557096 -0.18345411 Ta 0.00648283 8.33301593 4.12129144 -0.43255456 0.05107497 0.53999055 Ta 2.09617912 10.41051124 4.14500226 -0.05012904 0.37502485 0.30936759 Ta 2.09495973 8.29130842 6.23131902 -0.82848027 0.91431536 -0.15477620 Ta 0.03993280 10.37912743 6.28103257 0.79575677 -0.72572818 -0.25634789 Ta 4.17012675 8.28388472 4.14853251 0.24149826 0.94881863 0.42156846 Ta 6.26243642 10.41908826 4.13561599 -0.22548133 0.38516884 0.47377704 Ta 6.26704137 8.32343744 6.17916610 -0.35824499 0.71645268 0.14264551 Ta 4.14155926 10.39299751 6.23874051 0.23083551 0.25185250 -0.20751261 Ta 8.32550400 8.31000778 4.13468317 0.69349854 0.87122223 0.21433801 Ta 10.40653178 10.36523412 4.14959724 -0.63336304 -0.46726306 0.06501641 Ta 10.42290715 8.30106293 6.16919703 0.42323006 0.21922712 0.22028545 Ta 8.37952853 10.40807852 6.23789878 -0.18400680 0.32685902 -0.18857745 Ta 0.02940842 0.03568636 8.33306602 0.26706598 0.27202243 -0.33646525 Ta 2.05680557 2.07333349 8.32887658 -0.39484430 -0.50086417 0.66089525 Ta 2.04258017 0.04053878 10.35777527 0.40618343 0.31823307 -0.28101585 Ta 0.01561886 2.08620724 10.37740057 0.19006051 0.14281781 -0.24327258 Ta 4.15023483 0.02763449 8.28846257 0.25663396 -0.71606801 0.39023467 Ta 6.24793385 2.11808607 8.31651788 -0.12857758 -0.79761628 0.92849212 Ta 6.24560153 0.01137447 10.41555597 -0.09101624 0.77091354 -0.96861505 Ta 4.16488896 2.05448137 10.37627481 0.22638155 0.17528100 0.52420378 Ta 8.38026499 0.03070796 8.31986186 -0.11284611 -0.58527978 0.11176916 Ta 10.40393540 2.08172299 8.34107452 0.56412258 -0.00146756 -0.35843368 Ta 10.43812925 0.03151906 10.35959296 -0.66511994 0.62821707 -0.52043185 Ta 8.28458944 2.10041018 10.39145172 0.12431021 -0.15603056 0.71241630 Ta 0.02316841 4.12725804 8.33549533 -0.64302923 0.40303375 -0.16390399 Ta 2.09497470 6.25056845 8.33930198 -1.07755058 -0.31864641 0.71329003 Ta 2.04756672 4.11933049 10.41020612 0.28922671 0.27051275 0.57036478 Ta 0.02535548 6.22616266 10.38767744 0.72489234 -0.04600372 -0.70749640 Ta 4.12897235 4.19319163 8.31813582 0.18886012 -0.28277885 0.63537260 Ta 6.20338451 6.27707112 8.30113131 0.24754913 -0.46703692 0.64120252 Ta 6.22708489 4.18182669 10.38870618 -0.28158507 0.17184607 0.36152752 Ta 4.14148264 6.26205916 10.36481040 0.10677517 -0.32986812 0.87528653 Ta 8.34629042 4.15427137 8.34747556 0.52833415 0.16309191 0.28295409 Ta 10.36562881 6.26599154 8.29340642 0.79432403 -0.27284876 0.00403084 Ta 10.40808284 4.14204993 10.36410728 -0.68115559 0.28826911 -0.57077862 Ta 8.29534473 6.23463508 10.37808505 0.07578104 -0.29454646 0.61742796 Ta 0.01046114 8.30196980 8.30994511 -0.46760938 0.20934906 0.21414846 Ta 2.11566908 10.42553490 8.36741946 -0.16514857 0.39639812 -0.18039155 Ta 2.10966152 8.34933788 10.37546046 -0.40439574 0.02215401 0.80357010 Ta 0.01040749 10.40973192 10.40415198 0.68483033 -0.73528663 -0.74827151 Ta 4.13992683 8.27959201 8.30318364 0.42935453 1.26479028 0.39412554 Ta 6.25081200 10.37319518 8.30009529 -0.27191052 0.40489824 -0.02440279 Ta 6.24944058 8.28035496 10.36765253 -0.23980979 0.32456746 0.68467129 Ta 4.14377545 10.37310184 10.41309191 0.43499108 -0.65475961 -0.74224594 Ta 8.31989388 8.31330868 8.32542213 0.87609190 1.13576878 0.60249994 Ta 10.37886675 10.40436677 8.31252329 -0.52463383 -0.78419373 -0.13674513 Ta 10.38678526 8.25895616 10.38389775 -0.62295327 0.08974453 -0.54128966 Ta 8.33215863 10.43221584 10.37724441 -0.19346798 -0.79211827 -0.68324909