64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=174.2025906017966 stress="-0.002760425968190584 0.00040903051932165014 -0.0007670478828823676 0.00040903051932165014 -0.003398093069771608 3.119497774758132e-05 -0.0007670478828823676 3.119497774758132e-05 -0.003007564658603071" pbc="F F F" Ta 35.22274362 35.30026631 35.10115337 -19.47759043 -5.20382961 -20.40697382 Ta 36.45440692 35.66534568 36.39690793 -0.66611375 18.39174003 3.60157698 Ta 37.61855680 37.19274254 35.12344815 -1.18165282 -1.86077824 -9.04239122 Ta 38.47365779 38.39956216 36.69475194 -3.50425168 10.12334880 -9.12491744 Ta 37.51619231 34.78017817 37.58048192 12.99525304 -24.06304386 14.50792484 Ta 38.46607199 36.40199409 38.57495966 -20.69698747 -11.28296644 2.56279600 Ta 35.35760404 38.36421102 37.25439459 -32.91375317 -4.63684636 -51.47640457 Ta 36.23416950 38.46963622 38.62482912 14.63440642 23.29262556 36.12906884 Ta 39.98258121 34.90897525 34.81894594 -0.52684944 3.24629441 2.81794406 Ta 41.42094595 36.54194742 36.62808787 11.74701382 -3.18724711 -5.73858183 Ta 42.54970547 37.47040657 34.67655896 -0.36656623 0.27821974 1.54519445 Ta 44.00116823 38.51603182 36.99468734 2.33862177 -3.04324165 -1.96833417 Ta 42.46205962 34.69645751 38.24831835 -9.72075028 -9.60081208 0.99344388 Ta 43.72387956 36.27136631 38.24570917 8.41526659 10.44119897 -0.49000677 Ta 39.63921942 37.00121598 37.52048984 33.46858758 7.76906866 -21.07432593 Ta 41.07698201 38.58810493 38.94085052 -14.89809971 0.32769328 -16.19501592 Ta 34.83132844 39.77967671 34.94899391 -0.29715872 -1.45620141 -1.38679868 Ta 36.19009444 40.93501719 36.49211558 47.21142830 -77.06046701 -31.62499387 Ta 37.44765585 42.17678707 35.24912822 5.91458629 3.85810202 -6.14556795 Ta 39.04863537 43.84929664 36.51987678 -25.76945585 35.57430245 -29.77647002 Ta 37.96640929 40.02401331 38.00058227 -87.05794360 -92.33553994 22.97340470 Ta 38.86944526 41.05293513 37.84151366 80.01531055 86.95070733 -12.25935200 Ta 35.40181444 42.05030795 37.05117911 -54.03593315 72.59910086 37.06440925 Ta 36.15458038 43.80534914 38.82657176 -26.55501861 57.37150209 -30.01274950 Ta 39.84469759 40.54024078 34.72437138 -1.78852498 0.39524294 2.06505081 Ta 41.36173926 41.19046025 36.58377779 -10.07196610 11.20753851 -13.95014754 Ta 42.99288405 42.96575635 35.17340300 -167.75052641 -84.20335941 -168.00669388 Ta 43.77446184 43.35821262 35.95876343 167.10789342 84.28171936 167.98622727 Ta 42.43935611 40.01096863 37.60759354 9.30582027 -12.32409125 10.83054278 Ta 43.49735138 42.01605723 38.30771081 14.55627883 -3.81789392 -9.28773240 Ta 39.84963249 42.74014761 37.45895876 29.49180790 -18.09944517 26.66574645 Ta 41.59838244 43.40983348 39.02109014 -106.71619580 149.95567723 -131.94742013 Ta 34.63753518 34.66400688 40.04593016 2.75216810 2.47758440 0.13639485 Ta 36.15284988 36.55281345 41.48515741 27.64427482 -49.84892474 -41.76045780 Ta 37.11980837 37.14267227 39.53900512 -8.48668175 -6.93133732 28.34456553 Ta 38.94919299 38.69635628 41.47405928 -35.95725884 61.70207803 -48.81597440 Ta 37.46829720 35.29538648 43.20530651 -6.79698341 -16.96666427 -0.32770763 Ta 38.38213332 37.05074467 43.33604388 -22.85372293 -16.02859675 41.21052382 Ta 35.46914856 37.58683335 42.44774168 -44.00912665 42.45490173 31.88775312 Ta 36.81671840 38.27384052 43.75842636 -7.84562976 0.72060181 24.06925681 Ta 39.55991366 35.53568696 39.82968039 15.20128190 -13.37679463 17.04998299 Ta 40.98960379 36.31098339 41.64036916 14.12724661 -8.12076933 -1.91295024 Ta 42.50113346 37.87054360 39.96545013 -0.23767090 -38.41515217 -9.52633179 Ta 43.28578513 39.07894161 40.95214372 22.35645085 25.10616777 20.44916528 Ta 42.96218452 34.74109921 42.56811355 -0.82996435 -0.79259808 -1.15208540 Ta 43.77250168 36.48612036 43.76484178 -1.13077630 2.54560733 -0.44888102 Ta 39.51725030 37.56538150 42.29482210 68.29722045 -38.96196423 12.88039566 Ta 41.50546013 38.77580950 43.91611730 0.14151818 -2.26891928 0.07431457 Ta 34.91778199 40.25323164 40.11299155 -28.47970905 -31.64960027 -30.54279769 Ta 35.84018780 41.26017937 41.07598121 32.64162973 -11.54753302 7.45592363 Ta 36.77219773 42.52698724 39.51323919 27.11981957 -53.28791606 19.45953948 Ta 38.48209135 42.89764548 40.93286920 -0.03669747 2.87436177 -0.79523275 Ta 37.52365876 39.90919424 42.90296905 1.73020251 15.39792215 -7.19173577 Ta 38.55119723 41.92696896 43.39269776 -5.60948048 1.28780544 6.65091254 Ta 35.59305417 42.60340369 42.09704378 -10.92247453 22.64715204 -3.19690976 Ta 35.78849705 43.35703726 43.68685009 4.93678712 14.60002714 31.75558158 Ta 39.96557242 40.00719737 40.07186071 -7.06380019 3.46835344 -8.85598982 Ta 40.82750744 41.47185425 41.26239893 15.75789757 -29.78925688 -75.30240220 Ta 42.16958417 42.61824608 39.74564588 96.93832993 -142.36056549 138.76399520 Ta 43.74939291 43.68087267 41.06925378 0.96194731 -0.08873231 4.16896976 Ta 41.75209226 40.28338772 42.08824244 23.19553953 -27.93512986 25.25771950 Ta 44.03811016 41.69127311 43.36979086 -4.37092716 -0.20521243 -2.96125771 Ta 40.29944780 42.46399076 42.21764102 -27.19913157 63.71946575 56.93819047 Ta 40.94051408 43.80451323 43.66423156 4.82078457 5.68531950 6.40907650