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156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -4.951 -4.855 -4.846 -4.799 -4.741 -4.607 -4.568 -4.054 -4.003 -3.799 -0.043 -0.027 0.032 0.114 0.377 0.523 0.568 0.633 0.639 0.803 A A A A A A A A A A A A A A A A A A A A 0.00000000032605 0.00023063096229 0.00017437329047 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 Ta O O O O O O Ta Ta Ta Ta Ta Ta O O O O O O O O O O O O O O O O H 2.1329 -1.1257 -1.2016 -1.0474 -1.0474 -1.1251 -0.9673 1.7995 2.1607 2.0828 2.1609 2.0932 2.0829 -0.9920 -0.9404 -1.0497 -1.0499 -1.0382 -0.9677 -1.0364 -1.0501 -1.0444 -0.9921 -1.0470 -1.0363 -1.0500 -0.9680 -0.9976 -1.0469 0.3083 2.1408 1.9255 1.9123 1.9274 1.9274 1.9256 1.9333 2.1990 2.1378 2.1314 2.1377 2.1288 2.1314 1.9328 1.8585 1.9256 1.9256 1.9262 1.9351 1.9294 1.9269 1.9275 1.9328 1.9267 1.9294 1.9270 1.9351 1.9314 1.9268 0.5919 6.0848 5.1750 5.2666 5.0940 5.0940 5.1744 5.0094 6.1346 6.0735 6.1070 6.0735 6.1062 6.1071 5.0355 5.0488 5.1030 5.1032 5.0903 5.0077 5.0796 5.0973 5.0911 5.0356 5.0952 5.0796 5.0972 5.0080 5.0430 5.0950 0.0998 2.6072 0.0251 0.0226 0.0260 0.0260 0.0251 0.0245 2.8358 2.5944 2.6442 2.5943 2.6367 2.6441 0.0237 0.0331 0.0210 0.0210 0.0217 0.0249 0.0273 0.0259 0.0259 0.0237 0.0251 0.0273 0.0259 0.0249 0.0231 0.0251 0.0000 14.0343 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14.0311 14.0337 14.0346 14.0337 14.0351 14.0346 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 Ta O O O O O O Ta Ta Ta Ta Ta Ta O O O O O O O O O O O O O O O O H 2.295966 -1.116284 -1.197512 -1.095667 -1.095701 -1.116341 -1.085295 2.210327 2.294500 2.300667 2.294680 2.310512 2.300663 -1.103553 -0.704089 -1.184033 -1.184206 -1.178774 -1.073958 -1.081661 -1.090587 -1.093606 -1.103688 -1.101204 -1.081670 -1.090415 -1.074069 -1.113852 -1.101243 0.060094 1.805133 -0.842426 -0.467550 -0.953806 -0.953849 -0.843621 -1.030867 1.797032 1.819386 1.823008 1.819510 1.821447 1.823071 -1.046812 -0.782199 -1.138712 -1.139256 -1.130733 -1.006826 -0.942029 -0.932174 -0.938997 -1.046946 -0.953437 -0.942043 -0.931537 -1.006954 -1.062556 -0.953463 0.338209 1.892240 -0.973484 -0.619736 -1.003068 -1.003236 -0.967197 -0.968363 1.884791 1.870169 1.926755 1.865514 1.909565 1.928872 -1.005254 -0.790901 -1.142009 -1.144715 -1.130251 -0.963075 -0.974577 -0.991120 -0.991254 -1.004855 -1.015210 -0.975157 -0.996865 -0.959861 -1.010656 -1.014868 0.367806 -131.69046217 -39.74740183 -129.06309036 188.62532988 -140.03623572 -243.53188295 -502.11342464 222.28212149 -167.60318020 -82.24588577 -197.4840 240.1168 27.2058 -264.6355 -89.4751 -284.2721 Apr03-2021 22:46:13 Nodes: 1 Procs: 1 Apr03-2021 22:46:13 Nodes: 1 Procs: 1 0 Apr03-2021 22:46:13 Nodes: 1 Procs: 1 Apr03-2021 22:46:14 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr03-2021 22:46:15 Nodes: 1 Procs: 1 Apr03-2021 22:46:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr03-2021 22:46:17 Nodes: 1 Procs: 28 *** (NO TITLE) *** -8 -10.34791194 -10.40633130 -10.42153729 -10.41655356 -10.44232661 -10.44351829 -10.44490375 -10.44617951 -10.44637594 -10.44652864 -10.44667295 -10.44676593 -10.44678045 -10.44680486 -10.44680777 -10.44680634 GEOMETRY CONVERGED