108 Lattice="11.290977235149633 0.0 0.0 0.0 11.290977235149633 0.0 0.0 0.0 11.290977235149633" Properties=species:S:1:pos:R:3:forces:R:3 energy=-528.5463870823855 stress="-0.008541264861966893 0.001022959002570798 -0.00012513001849373916 0.001022959002570798 -0.008617272342083373 -0.0011491287009609888 -0.00012513001849373916 -0.0011491287009609888 -0.007109054220229065" free_energy=-528.5463870823855 pbc="F F F" Cu 0.00111965 0.03464345 0.02064607 1.32732864 0.66944715 0.73568254 Cu 1.84407948 1.89770929 0.06496691 0.30723832 -0.15080261 -0.05385888 Cu 1.91247579 0.02949057 1.89369178 -0.07737632 0.14996238 0.26761218 Cu 0.01199029 1.87104477 1.86960596 0.10648155 0.30367881 0.50734340 Ta 3.74178868 0.02496521 0.02265869 0.57694302 1.49865558 0.62202631 Ta 5.64904200 1.86671398 0.01888920 -0.11676453 -0.34881001 -0.92801157 Cu 5.62363609 0.01564031 1.86860782 0.17512920 -0.18574215 0.42871617 Cu 3.79319718 1.83538576 1.87965014 -0.59009979 0.29301709 0.65231105 Ta 7.48751321 0.03708886 0.03260877 -0.15115082 0.48914125 0.90796179 Cu 9.43535229 1.88860833 0.00833860 -0.85369728 -0.21803908 0.75451121 Ta 9.40222255 0.02464156 1.85780842 -1.20209943 0.99853112 0.06172779 Cu 7.53373109 1.88593987 1.87431571 0.22950980 0.18974971 0.44353926 Cu 0.02808582 3.74734454 0.00928208 0.42170735 0.30147871 0.61823907 Ta 1.88643110 5.64927371 0.01989938 -0.69064163 -0.64790490 -2.09626237 Cu 1.85619113 3.76624428 1.89230438 0.20851287 -0.45654578 0.44409313 Ta 0.00223382 5.66310769 1.88901692 -0.94988136 -0.80906610 0.53837882 Ta 3.74864758 3.75084519 0.00743812 -0.44551423 -1.50645144 -1.47606425 Ta 5.69213201 5.67288816 0.02372644 -0.29501207 -0.88572466 -2.83133382 Ta 5.64318213 3.77525601 1.91305595 0.13123983 -2.04342073 0.50277998 Ta 3.77116171 5.61387891 1.86219001 -1.34818338 -0.59458446 1.60101570 Cu 7.49472480 3.79253615 0.01164939 0.42557430 -0.86498200 -0.29208997 Cu 9.41904586 5.60936830 0.00556047 -0.51484214 0.48795359 0.51207222 Cu 9.39655403 3.78019816 1.91048806 0.21775641 -0.52142462 -0.58918432 Ta 7.51841340 5.67731485 1.88585187 1.20304026 -0.22454394 -0.32870027 Ta 0.03097475 7.53331522 0.00304993 0.34951452 -0.20824640 0.36286971 Cu 1.87247771 9.38373809 0.03131133 0.00680501 -0.01099650 -0.07442583 Ta 1.88778335 7.50710607 1.88459287 -0.88888048 1.46348524 0.58326354 Cu 0.01484281 9.41986988 1.90869176 0.16362325 -0.69751197 0.34938253 Ta 3.77235261 7.53430256 0.00849972 -0.86945273 0.36230299 -1.75409954 Cu 5.60786964 9.34852998 0.00910992 0.54897123 0.39441703 -0.46990802 Ta 5.66081452 7.53143137 1.85983197 0.27448983 1.22451396 0.79719348 Cu 3.76592435 9.39547386 1.89587979 0.20407389 0.77169838 0.35040554 Cu 7.49005125 7.51410649 0.02107891 0.54413655 0.54091840 -1.12871372 Ta 9.41970699 9.37582381 0.01595481 -1.05199746 -0.97571851 2.02099167 Ta 9.39701238 7.50339880 1.89810731 0.99094869 0.74725244 -0.72603930 Ta 7.50142639 9.43898052 1.86392486 0.78677227 0.57907530 0.07366523 Cu 0.00647768 0.03198890 3.77761827 0.40068432 0.51595261 0.22304379 Cu 1.86541142 1.90625111 3.76055431 0.56295520 -0.19821894 -0.40094784 Ta 1.89322549 0.03360365 5.67536771 -0.20384381 -0.31642788 0.06929870 Ta 0.03748045 1.85099169 5.62227963 -0.50566801 0.19564041 0.67138775 Cu 3.75691886 0.01837132 3.77811792 -0.20610235 0.07565881 -0.43992970 Cu 5.67745359 1.84182559 3.78316757 -0.43323844 0.09684576 -0.53548847 Cu 5.65038573 0.01071228 5.64266916 -0.85218106 -0.55146926 -0.33523250 Cu 3.76149924 1.86123459 5.59732665 -0.27161560 0.48171842 0.23718806 Cu 7.47870538 0.02297966 3.75600189 0.12991791 -0.25325232 -0.45861766 Ta 9.41684563 1.87419748 3.79638898 0.68230098 0.14111512 -0.76859225 Cu 9.42536359 0.02880988 5.61454762 0.23296491 -0.66920655 -0.10219931 Ta 7.48497895 1.86916411 5.64534014 0.88590294 -0.97985012 -0.96011279 Ta 0.01574151 3.72183837 3.79995898 -0.23004865 0.11403264 -0.35327047 Cu 1.86097234 5.63542375 3.77442492 0.03858110 -0.33037978 -0.02074838 Cu 1.87973138 3.78424944 5.66284299 0.40557567 -0.54296618 -0.03648539 Cu 0.04680203 5.67710157 5.64304578 0.01630289 -0.15265794 -0.36080641 Cu 3.75075590 3.77791348 3.76287606 -0.67483561 -0.57159829 -0.08405475 Ta 5.63941370 5.66098067 3.78218604 0.83003627 0.52881094 0.94976143 Ta 5.65909739 3.75715877 5.66207757 -1.90551125 -0.43488677 -0.61190879 Ta 3.73709400 5.68200044 5.62593480 -1.36877292 -0.41402567 0.46001101 Ta 7.53810450 3.77069054 3.80796494 0.60310366 -0.74689350 -0.39002671 Ta 9.41843846 5.63375011 3.73997717 1.14600667 -0.10257171 0.93427864 Cu 9.40519629 3.76893567 5.67754955 0.65807644 0.37201865 -0.07421638 Cu 7.53265996 5.65949034 5.63734236 -0.31308558 0.39593735 -0.11345500 Cu 0.01441884 7.54398574 3.74261694 -0.02736796 -0.05241041 0.57637010 Cu 1.87083975 9.44521907 3.77508169 -0.16252635 0.36356246 0.08466378 Cu 1.87581735 7.50680702 5.69596278 -0.27590449 0.41174631 -0.32732619 Ta 0.03280084 9.44369317 5.62839019 1.16484892 -1.38026393 0.63520812 Ta 3.73474105 7.52475255 3.73004830 -0.41481488 1.31202264 1.40797602 Cu 5.68763082 9.34176769 3.73774691 0.03724073 0.39197456 0.56696079 Cu 5.61455840 7.47822894 5.67300929 0.65572336 0.55035062 -0.38607283 Ta 3.75862818 9.43429615 5.64403139 -0.24679079 -0.42131195 -0.12355192 Cu 7.53651353 7.53639387 3.78626517 -0.76469535 -0.32207726 0.58877351 Ta 9.38096231 9.35710748 3.76947470 0.09817454 0.27043368 -0.67783121 Ta 9.42446002 7.49534557 5.63453277 0.82447160 0.32601008 -0.05980986 Ta 7.50126481 9.41371079 5.67488905 -0.67605984 0.57984306 -0.38475486 Ta 0.00405149 0.00471785 7.52631572 1.16097440 1.31729725 -0.78835709 Cu 1.88476933 1.93577746 7.46208927 0.41024612 0.07779451 0.57532729 Cu 1.87510618 0.03620507 9.37201770 -0.05606817 0.38645799 -0.75770460 Cu 0.03065024 1.87688942 9.42003492 0.93782126 -0.07993956 -1.25930102 Cu 3.77552641 0.01940101 7.55275769 -0.44022135 -0.47700736 -0.22003420 Ta 5.64841220 1.83215536 7.51995520 -1.42057759 0.47581530 0.59035972 Cu 5.65336296 0.01464547 9.37824119 0.21957517 0.07902513 0.43835179 Ta 3.74698747 1.88561807 9.40283246 -0.56715623 0.79252021 0.11395802 Ta 7.54819036 0.03526876 7.53958486 0.46346701 -1.62561043 0.58064174 Ta 9.44396390 1.86173329 7.50631348 1.31014838 -0.15463587 0.20784637 Ta 9.40847017 0.01443593 9.44072085 -0.96677433 1.63056369 -1.30773516 Cu 7.53197089 1.89560223 9.39836799 -0.33443797 -0.02465662 0.63194473 Cu 0.01310425 3.76495586 7.50992265 0.02658936 -0.19925595 -0.36945143 Cu 1.83766970 5.60569633 7.49258986 0.26831313 -0.02925632 0.28425259 Cu 1.86765296 3.78666464 9.41122979 0.10659225 0.01409949 -0.04161331 Cu 0.02619626 5.69142724 9.38415572 0.64869850 0.09937881 -0.37916780 Cu 3.75343617 3.79852958 7.54536204 -0.61660782 -0.47615069 -0.46940407 Ta 5.63094165 5.61976441 7.54248273 0.08413694 0.07738453 -1.76222451 Ta 5.62445314 3.79802929 9.42100617 0.07481036 -1.80991162 1.68274308 Ta 3.78671621 5.61697049 9.42390666 -1.76557934 -0.19178350 1.26124718 Ta 7.56471224 3.76933539 7.51377536 0.00163143 -0.52671457 -0.42341099 Ta 9.40383214 5.66562518 7.53247241 1.81212997 -0.43569952 -0.80678304 Ta 9.38915495 3.75884442 9.39318897 0.63062976 -0.59496175 0.89715819 Ta 7.50726188 5.63044602 9.44359791 0.38342028 0.58228531 2.64085378 Ta 0.02838435 7.55329608 7.50302476 0.19665988 0.40730472 -0.25843020 Cu 1.83902030 9.42405012 7.49268635 0.09541411 0.57428617 -0.03666866 Ta 1.90819987 7.57145566 9.38172544 -0.48733088 -0.52463502 0.34963262 Cu 0.02391525 9.42266946 9.41855208 0.43537221 -0.72098092 -1.01299356 Ta 3.78900505 7.54596606 7.56261060 -1.47617229 0.70451215 -1.43660355 Cu 5.64689164 9.41104512 7.50068037 -0.27610822 0.65669356 -0.02640378 Ta 5.67018079 7.53807229 9.41104754 -0.57056937 0.77033999 2.54354029 Cu 3.77054857 9.41064249 9.37581135 0.25881526 0.22686692 -0.11491067 Ta 7.47347503 7.53477919 7.55773606 0.31107082 0.41346811 -1.70658328 Cu 9.41105726 9.37611787 7.53874432 0.54456091 0.28356880 -0.60179582 Ta 9.39147890 7.53268574 9.40327090 0.01138125 -0.36673740 0.33495827 Ta 7.55303464 9.42498943 9.36546222 -0.40886346 -0.12969453 -0.13981142