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=-190.98248112606137 stress="-0.0001833742487954912 -0.00020420817209101136 -4.038085747138906e-05 -0.00020420817209101136 -0.00016778529233644742 -0.0001197604928116804 -4.038085747138906e-05 -0.0001197604928116804 -9.004279503824016e-05" free_energy=-190.98248112606137 pbc="F F F" Ta 35.17095038 34.82507085 34.59696809 0.88603246 1.07403477 1.11008596 Ta 36.40199409 35.91068129 36.60760404 -0.14580920 3.63793213 -4.41287142 Ta 37.96522721 37.25439459 35.30820902 -1.59237287 -5.26220052 -4.79308815 Ta 38.46963622 38.55539633 35.85320685 -3.55634045 2.12868617 12.40229923 Ta 37.44151616 34.60433959 37.70438499 3.14300596 -5.39774924 4.12840618 Ta 38.82550802 36.17010011 38.95988817 -3.39367926 8.05581095 -6.55138788 Ta 34.73334514 37.19654053 37.36354409 -3.68848601 2.37200153 -2.03366862 Ta 35.87113746 39.13688112 38.33824509 -2.80863757 -4.76801401 3.80100335 Ta 39.60112862 35.29785791 35.31841281 -7.98824719 -3.43422803 -1.75809264 Ta 41.19751650 36.17139371 35.88921942 3.74739799 1.17115768 11.37170160 Ta 42.16549435 37.52048984 34.74380690 -0.95015602 4.13058717 -6.12060118 Ta 43.40102920 39.15565462 35.76927222 7.18782823 -1.62461740 -5.65167381 Ta 42.36230136 35.25156541 38.14571572 -8.77041997 -6.11212017 -2.56857808 Ta 43.35694090 36.49211558 38.81343399 10.37418489 5.73838302 -4.96478083 Ta 40.12996245 37.94332522 37.79863537 -3.58604006 -5.64246925 -5.12818139 Ta 41.02525712 39.01987678 38.74182058 5.31947471 -4.38977005 4.27448504 Ta 35.05165555 40.31743001 35.11944526 -4.76255579 -4.51044461 -6.12345671 Ta 36.12647937 40.77038785 36.53966064 4.57074981 7.34359778 4.89995793 Ta 37.40961708 42.42903594 35.16691105 -1.45629576 -3.04982379 -1.29256472 Ta 38.80534914 43.65095341 36.55147019 0.09894591 3.21693797 2.67444335 Ta 37.59411349 40.05836878 37.99761964 9.00326232 -5.52645557 -3.00558730 Ta 38.69046025 41.28640482 39.00032572 2.88537060 -2.59103948 3.80530947 Ta 35.22251000 42.74364830 37.89090109 -5.54995246 -8.51301914 -2.94898401 Ta 36.30800575 43.80517182 38.43842517 7.79897394 5.23876373 1.97268075 Ta 39.74120044 39.93450067 34.99880483 3.52102441 3.95546816 -4.18738529 Ta 41.64927955 40.79262288 36.09963249 -7.97151098 0.83314829 3.56093000 Ta 42.70670858 42.45895876 35.34838244 -0.86553517 -5.97833025 -8.13136139 Ta 43.40983348 44.02109014 36.18124647 2.72941913 7.58209136 8.68434282 Ta 42.56754574 39.55695144 37.40284988 4.27124207 1.89656776 8.92178773 Ta 44.05281345 41.48515741 38.81399505 4.14153841 -3.46867518 -5.00310498 Ta 39.92293429 42.03900512 37.69919299 6.54883868 -1.09923068 -3.20178886 Ta 41.19635628 43.97405928 39.07840237 -3.92183058 2.97001302 -1.63684902 Ta 34.90208399 35.83257242 39.47195062 2.16937076 -0.37320002 1.45395464 Ta 36.94613043 35.83604388 41.71914856 0.86835684 -5.49837018 0.40007003 Ta 37.58683335 37.44774168 40.43579195 -5.40501171 0.63866456 -10.02703829 Ta 38.76227964 38.60329880 40.80991366 3.51824053 -0.35833837 10.34115804 Ta 37.79763519 35.13920620 42.23960379 2.33694515 -1.07733593 -2.77421706 Ta 38.75130018 36.17006226 44.18518579 -1.71744755 0.89993501 3.56117719 Ta 35.37054360 37.46545013 42.29978340 -3.13856476 4.00839763 -0.52734147 Ta 36.57894161 38.80994994 44.07626285 1.92660819 0.01035322 0.73069897 Ta 39.99942435 35.46366766 40.09810622 -4.22905262 -8.84808358 1.36658928 Ta 41.54368674 36.12572312 40.76725030 2.18870255 0.46721709 9.65327555 Ta 42.56538150 37.29482210 40.19533077 -6.54460554 10.69465517 -0.69917282 Ta 43.78566023 38.91611730 41.32718300 3.29749256 1.20471942 -0.45892704 Ta 42.60374949 34.74859303 42.46763961 -3.89921736 -6.64372912 -3.92902145 Ta 43.36643570 36.47060691 43.31574899 1.58851594 8.92032435 2.03857181 Ta 40.02698724 37.17953345 42.56317802 -1.76615265 -2.57128734 -10.85363926 Ta 40.80658407 38.27745244 43.87488659 4.50381064 6.90933653 3.85535270 Ta 35.21948410 40.38826415 40.17728387 -5.18114010 -3.00588490 -3.93238468 Ta 36.74566835 40.89269776 41.37884593 8.93664545 4.45723212 -0.29013281 Ta 37.63629877 42.17536678 39.63986266 -2.93939990 4.41593474 4.77266967 Ta 38.49044499 43.96041119 41.53717801 -2.86866478 0.92500279 -2.11732813 Ta 37.49618737 40.07186071 42.07750744 2.94563453 -3.21109995 0.24787253 Ta 39.28391047 41.26239893 43.41958417 -3.71305568 -5.72233770 5.41335959 Ta 35.11824608 42.24564588 42.22619623 -3.77258012 -0.69593758 0.23379513 Ta 36.20127958 44.00126359 43.35683667 3.20896271 2.09976034 1.27883594 Ta 39.94242952 39.73512663 39.86843086 0.78156487 9.72241995 5.29072376 Ta 41.25914940 41.01412584 41.46975669 4.72893600 -5.75739702 -10.96283689 Ta 42.46399076 42.29571731 39.77562181 -5.42891316 -3.82556719 5.11741855 Ta 43.78796723 44.05678639 41.23604252 -1.28340531 -1.48276004 0.25180260 Ta 42.00053342 40.28144579 42.12699829 -6.57924087 -2.58711752 2.23186650 Ta 43.67255128 40.99111067 43.69081214 0.92381601 2.11099243 1.04966735 Ta 39.99788082 42.27111732 42.13839627 -0.94607922 6.27652468 -3.24484497 Ta 41.62875023 43.66444723 43.50376224 0.26950844 -2.08001774 -1.56540207