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=174.20274359411331 stress="-0.002760390638046337 0.0004090641923626982 -0.0007670113420630388 0.0004090641923626982 -0.00339808626023503 3.1224996680869765e-05 -0.0007670113420630388 3.1224996680869765e-05 -0.003007551248944496" pbc="F F F" Ta 35.22274362 35.30026631 35.10115337 -19.47864912 -5.20413048 -20.40803189 Ta 36.45440692 35.66534568 36.39690793 -0.66538456 18.39228325 3.60240200 Ta 37.61855680 37.19274254 35.12344815 -1.18155093 -1.86051521 -9.04240152 Ta 38.47365779 38.39956216 36.69475194 -3.50465483 10.12403692 -9.12511829 Ta 37.51619231 34.78017817 37.58048192 12.99545037 -24.06347790 14.50809193 Ta 38.46607199 36.40199409 38.57495966 -20.69535700 -11.28247908 2.56277974 Ta 35.35760404 38.36421102 37.25439459 -32.91568289 -4.63729126 -51.47922031 Ta 36.23416950 38.46963622 38.62482912 14.63603180 23.29279052 36.13203097 Ta 39.98258121 34.90897525 34.81894594 -0.52694366 3.24623903 2.81802406 Ta 41.42094595 36.54194742 36.62808787 11.74702602 -3.18724736 -5.73855390 Ta 42.54970547 37.47040657 34.67655896 -0.36646363 0.27829325 1.54504249 Ta 44.00116823 38.51603182 36.99468734 2.33903912 -3.04352993 -1.96839834 Ta 42.46205962 34.69645751 38.24831835 -9.72044830 -9.60066668 0.99342148 Ta 43.72387956 36.27136631 38.24570917 8.41500144 10.44086731 -0.49007238 Ta 39.63921942 37.00121598 37.52048984 33.46770902 7.76817999 -21.07306434 Ta 41.07698201 38.58810493 38.94085052 -14.89559430 0.32643802 -16.19369759 Ta 34.83132844 39.77967671 34.94899391 -0.29698577 -1.45615736 -1.38675349 Ta 36.19009444 40.93501719 36.49211558 47.20808177 -77.05642698 -31.62233449 Ta 37.44765585 42.17678707 35.24912822 5.91507255 3.85846733 -6.14592983 Ta 39.04863537 43.84929664 36.51987678 -25.76783965 35.57202128 -29.77455749 Ta 37.96640929 40.02401331 38.00058227 -87.05431759 -92.33181059 22.97239388 Ta 38.86944526 41.05293513 37.84151366 80.01223569 86.94734251 -12.25884701 Ta 35.40181444 42.05030795 37.05117911 -54.03294004 72.59474210 37.06220139 Ta 36.15458038 43.80534914 38.82657176 -26.55578616 57.37310014 -30.01358920 Ta 39.84469759 40.54024078 34.72437138 -1.78834967 0.39519612 2.06511039 Ta 41.36173926 41.19046025 36.58377779 -10.07189091 11.20736649 -13.94997296 Ta 42.99288405 42.96575635 35.17340300 -167.73159508 -84.19386469 -167.98757485 Ta 43.77446184 43.35821262 35.95876343 167.08891829 84.27221999 167.96706743 Ta 42.43935611 40.01096863 37.60759354 9.30501797 -12.32380717 10.83050427 Ta 43.49735138 42.01605723 38.30771081 14.55641218 -3.81791397 -9.28762109 Ta 39.84963249 42.74014761 37.45895876 29.48963792 -18.09786764 26.66378289 Ta 41.59838244 43.40983348 39.02109014 -106.72205580 149.96375347 -131.95448924 Ta 34.63753518 34.66400688 40.04593016 2.75220496 2.47769603 0.13650671 Ta 36.15284988 36.55281345 41.48515741 27.64603502 -49.85145959 -41.76284118 Ta 37.11980837 37.14267227 39.53900512 -8.48651454 -6.93153948 28.34454958 Ta 38.94919299 38.69635628 41.47405928 -35.95610677 61.69892665 -48.81390543 Ta 37.46829720 35.29538648 43.20530651 -6.79727210 -16.96702688 -0.32783041 Ta 38.38213332 37.05074467 43.33604388 -22.85392831 -16.02945786 41.21151694 Ta 35.46914856 37.58683335 42.44774168 -44.01098887 42.45729560 31.88975288 Ta 36.81671840 38.27384052 43.75842636 -7.84662559 0.72060175 24.07021313 Ta 39.55991366 35.53568696 39.82968039 15.20057460 -13.37651643 17.04928492 Ta 40.98960379 36.31098339 41.64036916 14.12809958 -8.12145323 -1.91317126 Ta 42.50113346 37.87054360 39.96545013 -0.23947386 -38.41328207 -9.52746902 Ta 43.28578513 39.07894161 40.95214372 22.35646117 25.10534425 20.44858293 Ta 42.96218452 34.74109921 42.56811355 -0.82987790 -0.79252229 -1.15200561 Ta 43.77250168 36.48612036 43.76484178 -1.13090804 2.54558584 -0.44903913 Ta 39.51725030 37.56538150 42.29482210 68.29632501 -38.95791940 12.87773137 Ta 41.50546013 38.77580950 43.91611730 0.14151095 -2.26882321 0.07412262 Ta 34.91778199 40.25323164 40.11299155 -28.47982508 -31.64979721 -30.54279330 Ta 35.84018780 41.26017937 41.07598121 32.64180263 -11.54850012 7.45543492 Ta 36.77219773 42.52698724 39.51323919 27.12082404 -53.28941025 19.46019342 Ta 38.48209135 42.89764548 40.93286920 -0.03659696 2.87446713 -0.79519857 Ta 37.52365876 39.90919424 42.90296905 1.73052649 15.39882349 -7.19208534 Ta 38.55119723 41.92696896 43.39269776 -5.60940008 1.28760396 6.65100413 Ta 35.59305417 42.60340369 42.09704378 -10.92294009 22.64748961 -3.19743056 Ta 35.78849705 43.35703726 43.68685009 4.93688084 14.60071918 31.75692413 Ta 39.96557242 40.00719737 40.07186071 -7.06396716 3.46871464 -8.85650918 Ta 40.82750744 41.47185425 41.26239893 15.75491234 -29.78396549 -75.30125765 Ta 42.16958417 42.61824608 39.74564588 96.94415851 -142.36861625 138.77092289 Ta 43.74939291 43.68087267 41.06925378 0.96218609 -0.08860937 4.16918425 Ta 41.75209226 40.28338772 42.08824244 23.19687558 -27.93744714 25.25971451 Ta 44.03811016 41.69127311 43.36979086 -4.37102067 -0.20505639 -2.96133553 Ta 40.29944780 42.46399076 42.21764102 -27.19788270 63.71682848 56.93556571 Ta 40.94051408 43.80451323 43.66423156 4.82080666 5.68515460 6.40904236