108 Lattice="12.211948259579636 0.0 0.0 0.0 12.211948259579636 0.0 0.0 0.0 12.211948259579636" Properties=species:S:1:pos:R:3:forces:R:3 energy=-754.2907233025486 stress="-0.004928768228238531 0.00011371232248873729 0.00014959724099625096 0.00011371232248873729 -0.0051473340314040945 -0.00011371877245001911 0.00014959724099625096 -0.00011371877245001911 -0.0049894911130763725" free_energy=-754.2907233025486 pbc="F F F" Ta 0.03741014 0.03049163 0.03315843 0.56818821 0.63033859 0.88549096 Ta 2.01716173 2.03807863 0.03129737 0.38461162 -0.16749416 -0.49589193 Ta 2.04605187 0.02965132 2.09411049 0.00743458 -0.51731295 -0.40414341 Ta 0.02396474 2.07931083 2.06815399 -0.68248969 -0.58928474 -0.19411853 Ta 4.09336237 0.03938667 0.03610719 -0.21886020 0.21411391 0.35584571 Ta 6.14619292 2.01711006 0.01632979 -0.20778235 0.30422273 -0.74492668 Ta 6.13185852 0.02381996 2.06236934 -0.01109897 -0.79049422 -0.35228179 Ta 4.06287139 2.05848782 2.06437790 0.12950919 -0.12233577 -0.23424759 Ta 8.18192935 0.04610038 0.00923898 -0.33169634 -0.08832558 0.37293681 Ta 10.16314622 2.03987536 0.05540750 -0.01744186 0.09015971 -0.05467903 Ta 10.16196322 0.03077780 2.07827995 -0.11808920 0.29096954 -0.15236754 Ta 8.10114750 2.06553553 2.00232934 0.51489139 -0.13000515 0.46144548 Ta 0.04163004 4.03028757 0.01792330 -0.00448239 0.43405887 0.10513626 Ta 2.04093576 6.11918612 0.00386031 0.01780525 -0.26218501 -0.70279546 Ta 1.99798833 4.06965598 2.06741344 0.31824141 0.27853463 -0.27635578 Ta 0.02345375 6.14616461 2.00331436 -0.63964780 -0.43613288 0.32694992 Ta 4.05803559 4.03338362 0.03943483 0.12650063 0.27659484 -0.73052691 Ta 6.14423736 6.12059630 0.03832824 -0.19013412 -0.13918265 -0.76721340 Ta 6.11433614 4.04224556 2.00163763 -0.09648134 0.29046606 0.28293038 Ta 4.05623718 6.12911010 1.99693947 0.29148647 -0.32921235 0.27305182 Ta 8.18404693 4.11267605 0.01814659 -0.21726394 -0.14887887 -0.66648875 Ta 10.15797094 6.15827105 0.02444599 -0.02254634 -0.23207765 0.32286820 Ta 10.18502487 4.03109569 2.01951451 0.44285317 0.52596015 0.36647677 Ta 8.13987966 6.15146315 2.05446608 0.12134555 -0.23377958 -0.09885635 Ta 0.02178383 8.16300142 0.02914959 0.27285812 0.06947642 0.10096210 Ta 2.02416811 10.21056804 0.02018661 0.29166693 -0.63058166 0.49455432 Ta 2.06688321 8.11479156 2.00141009 -0.29562387 0.63379607 0.34391307 Ta 0.01358312 10.16889332 2.06442857 0.51154779 -0.52970834 0.24351395 Ta 4.10205236 8.14419534 0.01658270 -0.19142214 0.34324184 -0.74553587 Ta 6.17976533 10.15691786 0.03906715 -0.44715149 0.06215548 -0.17020409 Ta 6.11669154 8.16094185 2.02608092 0.07950972 -0.11838250 0.25531274 Ta 4.09488702 10.16941095 2.02298648 0.01059448 0.58687877 0.05091982 Ta 8.17755636 8.18368395 0.01477338 -0.06457201 -0.22202161 -0.68369435 Ta 10.21560997 10.18896191 0.01289087 -0.71300084 -0.55792230 0.57963085 Ta 10.16304414 8.18831298 2.01725847 0.58023614 -0.07499509 0.29566102 Ta 8.16027783 10.20246240 2.01075449 0.22403754 0.46368343 0.56459029 Ta 0.00093982 0.02509928 4.05833784 0.45729781 0.41819829 0.41615838 Ta 2.06874600 2.07442332 4.06566266 -0.33824061 -0.50415029 0.21161555 Ta 2.08710511 0.01574597 6.10879969 -0.38257050 -0.41258236 -0.24183172 Ta 0.00263429 2.03245775 6.13613181 -0.39387081 -0.02541964 -0.39036159 Ta 4.09953499 0.01869402 4.06326535 -0.20976138 -0.73937123 0.02909676 Ta 6.09681348 1.99773016 4.03393859 0.13295038 0.53586468 0.24007934 Ta 6.10070420 0.02062736 6.05811639 0.02873910 -0.58943687 0.34401109 Ta 4.05768571 2.06228767 6.12811864 0.10053486 -0.15432579 -0.10158197 Ta 8.17444309 0.01056594 4.03538238 -0.42151066 -0.69817855 0.29740177 Ta 10.15063743 2.02404446 4.10714868 0.63588062 0.43998870 -0.35206874 Ta 10.14105010 0.03125711 6.10629063 -0.08087894 -0.00095007 0.16139203 Ta 8.13908653 2.03461972 6.07012807 -0.24426836 0.09220295 0.21772181 Ta 0.03113888 4.04876328 4.06214957 -0.93929862 0.50166384 0.23562619 Ta 2.06392944 6.09956267 4.05837299 -0.21442532 0.08651887 -0.04740124 Ta 2.02283597 4.07140942 6.05989273 -0.10208023 -0.05836042 0.21571959 Ta 0.00487417 6.12796561 6.11163269 -0.58356025 -0.18121872 -0.06054225 Ta 4.03491757 4.06035942 4.08899735 0.36719451 0.18042101 -0.30721692 Ta 6.12560330 6.07120126 4.11120985 -0.26728755 0.16056150 -0.38269607 Ta 6.06207445 4.09020347 6.08036307 0.12588027 -0.18390812 0.04329016 Ta 3.99463251 6.06740269 6.11363780 0.37643661 0.25938243 -0.03115835 Ta 8.14341989 4.10366504 4.07501667 0.12607331 -0.16038171 -0.02994981 Ta 10.14833296 6.13135445 4.03882993 0.65284973 -0.10317522 0.42784426 Ta 10.17108526 4.06409336 6.14419616 0.66937624 0.19888039 -0.36639688 Ta 8.12797028 6.11294380 6.14487171 0.15537989 -0.03813772 -0.20974540 Ta 0.00922635 8.11727538 4.09981448 -0.23397535 0.36444951 -0.37253559 Ta 2.07894053 10.20709967 4.06229418 -0.15146912 0.00761854 0.08869077 Ta 2.02273226 8.13828244 6.11285080 0.24458311 0.20071454 -0.20117243 Ta 0.03294847 10.16454399 6.10795385 0.09852553 -0.26799074 -0.16820603 Ta 4.11748703 8.12300871 4.04951507 -0.19135024 0.25986842 0.30729132 Ta 6.14130028 10.15766595 4.09692560 -0.39327758 0.88202507 -0.42424924 Ta 6.12798421 8.14668040 6.07366316 -0.36722189 -0.24165390 0.28041452 Ta 4.09468176 10.20058832 6.14667367 -0.08218762 0.38125152 -0.26626891 Ta 8.12076486 8.15149676 4.10093281 0.36436203 0.01888108 -0.29558535 Ta 10.19234357 10.15930138 4.06992790 -0.49755386 -0.22074130 0.08202236 Ta 10.16072034 8.17637270 6.14081898 0.59501478 -0.24310650 -0.43223012 Ta 8.10307820 10.16470577 6.08889405 0.70540619 0.71587580 0.49124550 Ta 0.01577121 0.00644575 8.10145743 0.48157887 0.20390387 0.08108653 Ta 2.02011463 2.06747607 8.16783365 0.01907787 -0.27367430 -0.20353168 Ta 2.04665357 0.02659811 10.15371704 0.16272632 0.23433212 -0.32304273 Ta 0.01749560 1.99904022 10.15837817 0.24879147 0.58544594 -0.46544069 Ta 4.07178268 0.02355507 8.15819527 0.23566646 -0.54591892 -0.17459886 Ta 6.07651340 2.07363013 8.14633006 0.30910497 -0.33864178 -0.03516546 Ta 6.12377307 0.00037203 10.16920737 -0.11422242 0.50882722 -0.22243739 Ta 4.09165082 2.07197951 10.15283313 -0.06064516 -0.45534315 0.79026150 Ta 8.10661414 0.01339009 8.12768812 0.59950181 -0.35441094 0.54628465 Ta 10.14205800 2.04689176 8.15832440 0.60879697 -0.36558679 0.01834764 Ta 10.20406949 0.01183803 10.21248160 -1.45885672 1.03204769 -1.44088610 Ta 8.15984553 2.05330352 10.15276780 -0.06996212 -0.22603703 0.60532223 Ta 0.02062094 4.08983754 8.11355797 -0.60268746 -0.10122829 0.40523179 Ta 2.05204319 6.06794205 8.14250982 -0.10703681 0.30033289 0.33065013 Ta 2.07279393 4.06431107 10.15751223 -0.52659815 -0.03999130 0.77854917 Ta 0.02233011 6.11704536 10.17925399 0.36432544 -0.22743997 -0.24571840 Ta 4.05707814 4.04090773 8.13889025 0.12371839 0.25550204 -0.04643275 Ta 6.06836130 6.14052141 8.13758455 0.09637140 -0.34913643 0.05588107 Ta 6.08487422 4.06322388 10.21594507 0.32195073 0.26376182 0.40016912 Ta 4.07636896 6.07704742 10.18579717 -0.13941580 0.45290230 0.56703039 Ta 8.12947381 4.05742879 8.11764454 -0.10138687 0.19307918 0.38125858 Ta 10.13622585 6.13297568 8.10967048 0.79685843 -0.19012536 0.47206189 Ta 10.20113045 4.08082865 10.16027506 -0.53778416 0.30171354 -0.45175343 Ta 8.12443771 6.12640407 10.17071265 0.24818877 -0.43455027 0.43175207 Ta 0.04054189 8.12699866 8.17324628 -0.58604054 0.16637977 -0.17024994 Ta 2.01192721 10.17426638 8.11939776 0.27374060 0.48572710 0.33177367 Ta 2.00954364 8.18141293 10.21189213 0.65706709 -0.48463951 0.15452637 Ta 0.02834203 10.17812168 10.18564231 0.49538111 -0.51989282 -0.73239541 Ta 4.06315941 8.12297688 8.11805411 -0.17147004 0.30458713 0.47025738 Ta 6.13262563 10.14244777 8.16880416 -0.20216500 0.60497886 -0.21869192 Ta 6.14149626 8.13317213 10.15226425 -0.62731738 0.17646047 0.72441727 Ta 4.05726051 10.20700026 10.16052175 0.16742914 -0.70694180 -0.53814622 Ta 8.16855794 8.13247598 8.14910037 -0.05200756 0.24296870 0.04797392 Ta 10.19814607 10.14871873 8.16175487 -0.68613519 -0.19006450 -0.27539204 Ta 10.18795280 8.14371486 10.19567976 -0.49390074 -0.26643749 -0.46240120 Ta 8.13818664 10.16038761 10.16276447 0.16212693 -0.29850593 -0.20283694