108 Lattice="12.3311460544939 0.0 0.0 0.0 12.3311460544939 0.0 0.0 0.0 12.3311460544939" Properties=species:S:1:pos:R:3:forces:R:3 energy=-752.5605010422374 stress="-0.012049124246430386 -0.0003021669055408733 -0.0010494216468229223 -0.0003021669055408733 -0.011278241132099392 0.00015574567760004532 -0.0010494216468229223 0.00015574567760004532 -0.011954205938002036" free_energy=-752.5605010422374 pbc="F F F" Ta 0.03034439 0.00059913 0.00480836 0.82122862 1.09975400 0.90206114 Ta 2.04924068 2.07675166 0.03859738 -0.53103758 -0.61398359 -0.50665443 Ta 2.01614749 0.03114590 2.05387562 -0.16030118 -0.66407095 -0.44462070 Ta 0.02035244 2.04766349 2.07808512 -0.48354447 -0.48869488 -0.78970828 Ta 4.07839552 0.01604752 0.01498132 0.05936791 0.55062625 0.42236789 Ta 6.20445301 2.07500011 0.01100484 -0.40733624 -0.43858213 -0.35382685 Ta 6.13748501 0.02505528 2.02585081 0.08530479 -0.59979059 -0.39405640 Ta 4.09912490 2.04989726 2.08835749 0.10555091 -0.33607974 -0.77350825 Ta 8.21965757 0.03718395 0.02193609 0.33421650 0.35268044 0.31697380 Ta 10.26571449 2.07034140 0.02234972 -0.62512309 -0.37086522 0.40441428 Ta 10.24210162 0.02671480 2.04989802 -0.23763672 0.39764260 -0.24049144 Ta 8.21237280 2.02214630 2.08142656 0.45553645 0.15908900 -0.60469795 Ta 0.01141458 4.11928871 0.01033729 0.30719376 -0.28684798 0.28920218 Ta 2.03810992 6.15612738 0.00744023 -0.26630780 0.09579598 -0.69309108 Ta 2.08134315 4.13712995 2.08468526 -0.67621251 -0.34997949 -0.58711600 Ta 0.02163334 6.14224357 1.99098317 -0.50587371 0.30537632 0.26821804 Ta 4.12066629 4.12091827 0.00502237 -0.12548465 -0.35693258 -0.58948023 Ta 6.14610533 6.12637909 0.01123573 0.17937384 0.44669051 -0.51718522 Ta 6.14000511 4.12779937 2.05484992 0.21941187 -0.27107961 -0.07346826 Ta 4.07194199 6.13452808 2.01034655 0.28384706 0.41650640 0.21522955 Ta 8.19510389 4.14027233 0.01982982 0.68661604 -0.14731396 -0.34515159 Ta 10.27007859 6.17166661 0.00523462 -0.47071816 -0.14411375 0.36384341 Ta 10.25216550 4.09824328 2.02769984 0.29048810 0.13005266 -0.19000375 Ta 8.20577197 6.19233038 2.08794498 0.59039446 -0.31325437 -0.67023884 Ta 0.02652294 8.21531660 0.01556404 0.59369846 0.69745561 0.65976982 Ta 2.09108667 10.25910465 0.03125813 -0.71637440 -0.53463230 0.42625439 Ta 2.07941831 8.23002104 2.07174555 -0.78129700 0.65261260 -0.31618333 Ta 0.03129345 10.31096597 2.08094089 0.75961735 -0.99179339 -0.44209967 Ta 4.11739966 8.19796406 0.02458096 0.12081266 0.61888064 -0.42202749 Ta 6.14451825 10.27268267 0.00106187 0.26379827 -0.62643559 0.63024496 Ta 6.19092987 8.21033825 2.08215975 -0.31277897 0.79337795 -0.68827889 Ta 4.10223752 10.30641553 2.00124273 0.22097297 -0.04480835 0.20669987 Ta 8.23478461 8.22352278 0.05880576 0.47089771 0.89175403 -0.45332305 Ta 10.31570239 10.27763096 0.01578509 -1.30539804 -1.19936297 1.26146991 Ta 10.28329983 8.18596313 2.03306338 0.25067995 1.06149736 -0.31547364 Ta 8.20920628 10.31184363 2.07394988 0.68108240 -0.20364548 -0.75936141 Ta 0.00771768 0.01326739 4.12224112 0.25697894 0.35609869 0.11015213 Ta 2.08375353 2.00895983 4.14195351 -0.59710126 -0.03882281 -0.23361084 Ta 2.08551473 0.00764410 6.12873084 -0.76121569 -0.71645429 0.40934257 Ta 0.02918366 2.08939123 6.19506298 -0.57452022 -0.69010575 -0.19165246 Ta 4.14002202 0.00606525 4.12660043 -0.02668507 -0.77986656 -0.17017339 Ta 6.15743689 2.01823335 4.10204274 0.07700682 0.27027372 0.05555192 Ta 6.23035637 0.02799046 6.14953848 -0.34317215 -0.74142290 0.21633518 Ta 4.11646436 1.99859154 6.20174901 0.08637988 0.06624497 -0.36321038 Ta 8.23863768 0.03768597 4.12757478 0.23903274 -0.81444957 -0.33288931 Ta 10.26018398 2.06388190 4.13875843 0.59588910 -0.11109046 -0.45765699 Ta 10.24558850 0.05892119 6.12548436 0.07645025 -0.12852747 0.40164872 Ta 8.25337795 2.05329743 6.18605156 -0.05636936 0.01973756 -0.18076262 Ta 0.03169349 4.08394090 4.08120392 -0.52404811 0.20204571 0.21594119 Ta 2.01867968 6.17294063 4.12714284 -0.10266848 0.22406417 0.01719419 Ta 2.07173804 4.07667468 6.14079725 -0.32324431 0.28566761 0.11117634 Ta 0.03808166 6.17307849 6.18185244 -0.52462994 -0.06223978 -0.21442115 Ta 4.07381532 4.12521142 4.09585543 0.35880834 -0.08481537 0.29981205 Ta 6.16298320 6.18777827 4.09403469 -0.12612429 -0.37953868 0.26414135 Ta 6.09861814 4.04497694 6.18030165 0.34417885 0.39832996 -0.34258090 Ta 4.13576490 6.17131063 6.19924973 -0.29261488 -0.19705191 -0.34617867 Ta 8.21208770 4.15064706 4.13638423 0.22682729 -0.39251012 -0.10993226 Ta 10.28170300 6.12664133 4.07046173 0.35575225 0.16325091 0.37809741 Ta 10.29406468 4.07423408 6.19154342 0.43464056 0.47135032 -0.23756209 Ta 8.19758759 6.12546650 6.19024427 0.62714456 0.31085294 -0.26399946 Ta 0.00839743 8.24011892 4.14753635 -0.17567082 0.43855851 -0.30578134 Ta 2.03768577 10.29822022 4.13626316 -0.27031079 0.23186115 -0.38238517 Ta 2.08170371 8.29716442 6.17996768 -0.58752424 -0.50573537 -0.19039229 Ta 0.04695473 10.24837834 6.21790748 -0.10658250 -0.15181434 -0.25545961 Ta 4.14417386 8.19694043 4.13700398 -0.45891898 0.47549284 -0.53574115 Ta 6.15643887 10.25767572 4.12297858 0.11042449 0.55339946 -0.30155456 Ta 6.14708583 8.23375359 6.13061946 0.47303799 0.44392632 0.48146353 Ta 4.08983672 10.25204106 6.14287761 0.32876674 0.82461845 0.29278707 Ta 8.25330987 8.20577252 4.12389036 0.41835617 0.60227214 -0.13134039 Ta 10.26088747 10.30489060 4.10882778 -0.30648427 -0.53702431 -0.29240501 Ta 10.25900318 8.24934503 6.13947314 0.34878490 0.01662467 0.19810704 Ta 8.26682229 10.27719088 6.12521884 -0.11547834 0.32743826 0.44449383 Ta 0.00993762 0.02355868 8.20091822 0.88202040 0.73433766 0.59824331 Ta 2.08395406 2.03231170 8.19627280 -0.98561519 -0.53797948 0.87444859 Ta 2.06272238 0.00837496 10.31686325 -0.65303818 0.64200787 -0.97812346 Ta 0.02977573 2.07483555 10.28063067 0.66276688 -0.63715610 -0.80622700 Ta 4.12878014 0.02289333 8.23936680 -0.06128450 -0.82202174 0.45771443 Ta 6.15439574 2.06539479 8.22140946 0.19514953 -0.58704746 0.58073405 Ta 6.18933878 0.01135727 10.27218000 -0.23853744 0.23411909 -0.36283979 Ta 4.06679332 2.03215276 10.25355614 0.43462330 -0.35301067 0.72734634 Ta 8.22582791 0.02137024 8.21239265 0.72875129 -0.53312671 0.72808608 Ta 10.27498960 2.06478423 8.19543884 0.39006419 -0.34107567 1.31423130 Ta 10.29592884 0.03604000 10.24196081 -0.94216521 0.84615100 -0.98759327 Ta 8.20799412 1.98997923 10.28324020 0.95819581 0.29767072 0.15061705 Ta 0.01215129 4.12291952 8.22807131 -0.32654434 -0.22901299 0.44075449 Ta 2.04700504 6.12393798 8.20605718 -0.17819315 0.19957377 0.46591180 Ta 2.08221706 4.07688552 10.28500309 -0.63237736 0.34163465 0.30447060 Ta 0.01225686 6.17020099 10.22684921 0.37565148 -0.20054204 0.04223371 Ta 4.08981481 4.09193121 8.23087486 0.13979481 0.22729591 0.31263296 Ta 6.19775299 6.17928954 8.18377829 -0.33077560 -0.08409202 0.63478508 Ta 6.16570783 4.08347266 10.23883718 -0.01924948 0.11322529 0.52027855 Ta 4.12384684 6.17894070 10.24887908 -0.00873338 -0.25392608 0.42837065 Ta 8.20376879 4.11037809 8.20267089 0.81223650 -0.18369053 0.92986339 Ta 10.26819635 6.13350385 8.21374228 0.21364712 -0.01196795 0.72616380 Ta 10.29824668 4.10873294 10.30406827 -1.31948792 0.02819184 -1.35312406 Ta 8.19096378 6.15960684 10.23657865 0.84905029 -0.22128812 0.51381569 Ta 0.01387971 8.18314051 8.24260505 -0.41720440 0.90021335 0.47430575 Ta 2.03097677 10.26125717 8.22525141 -0.32835339 0.52274482 0.87260498 Ta 2.06679184 8.21079515 10.26721941 -0.49120905 0.56577847 0.34796369 Ta 0.03074463 10.24710651 10.29909203 0.90638067 -1.02437358 -1.02506434 Ta 4.09893098 8.18392790 8.19192449 0.30008326 0.88794583 0.84523947 Ta 6.14432409 10.27950340 8.23051099 0.23007196 -0.25926882 0.72014847 Ta 6.13101950 8.20612271 10.29135744 0.23595108 1.01448828 -0.16598498 Ta 4.05828802 10.30770668 10.24834581 0.40655047 -0.76522556 -0.60136449 Ta 8.21876015 8.22945457 8.24310917 0.31324780 0.99149244 0.39512155 Ta 10.27178186 10.27894370 8.20179926 -0.87743258 -0.63174525 0.60132660 Ta 10.24789793 8.23421184 10.23833725 -0.67774453 0.43897889 -0.49046088 Ta 8.23200136 10.31203943 10.30945409 0.19394715 -1.34746322 -1.48988709