0.066025 -0.049232 0.508616 0.053091 -0.057324 0.517872 0.066784 -0.040554 0.517872 0.061442 -0.054845 0.508616 0.058593 -0.051857 0.501265 0.062528 -0.047038 0.501265 0.069016 -0.055943 0.535375 0.068616 -0.056433 0.535375 -0.021980 0.017993 0.068189 -0.027736 0.022646 0.080413 -0.022026 0.017937 0.068189 -0.033273 0.027167 0.064145 -0.049512 0.032069 0.077936 -0.046954 0.038338 0.083711 -0.041324 0.042097 0.077936 -0.039683 0.032401 0.069390 -0.043722 0.046047 -0.170439 -0.050701 0.037532 -0.180926 -0.046914 0.042170 -0.180926 -0.051264 0.032398 -0.172657 -0.041996 0.043749 -0.172657 -0.050861 0.036810 -0.164786 -0.046239 0.042471 -0.164786 -0.053861 0.033629 -0.170439 -0.079437 0.064860 -0.175058 -0.073615 0.092799 -0.176392 -0.088763 0.072475 -0.163011 -0.105647 0.053568 -0.176392 -0.068183 0.062942 -0.163870 -0.076522 0.062480 -0.157490 -0.075307 0.054217 -0.163870 -0.077969 0.063662 -0.170562 0.048082 -0.043402 -0.008623 0.051897 -0.046658 -0.008168 0.056095 -0.041517 -0.008168 0.052142 -0.038430 -0.008623 0.055613 -0.040524 0.014675 0.047875 -0.039768 0.018728 0.048540 -0.038954 0.018728 0.050828 -0.046385 0.014675 0.010183 -0.008314 0.020838 0.023843 -0.028777 0.036109 0.026337 -0.021504 0.042364 0.032964 -0.017606 0.036109 0.036465 -0.029774 0.016529 0.009952 -0.008269 0.046117 0.010255 -0.008373 0.024823 0.010092 -0.008097 0.046117 0.016984 -0.039907 -0.015803 0.042497 -0.008660 -0.015803 0.034353 -0.012893 -0.048583 0.005524 -0.012942 -0.035496 -0.002127 -0.004831 -0.028612 0.004308 0.003050 -0.028612 0.013785 -0.002824 -0.035496 0.019503 -0.031081 -0.048583 0.003800 -0.000332 -0.004100 -0.003074 0.002510 -0.007467 0.001085 -0.003656 -0.004100 0.006079 -0.004963 -0.028059 0.006371 0.001435 0.003975 0.010879 -0.008883 0.008905 -0.000132 -0.006529 0.003975 -0.004185 0.003417 -0.010853 -0.017918 0.007986 0.021518 -0.013555 0.013605 0.031548 -0.016041 0.010560 0.031548 -0.009002 0.023604 0.058769 -0.024927 0.004099 0.058769 -0.008993 0.018788 0.046598 -0.020207 0.005053 0.046598 -0.011408 0.015959 0.021518 -0.023237 0.018973 -0.043352 -0.044078 0.032422 -0.027933 -0.028640 0.023384 -0.018059 -0.040583 0.036703 -0.027933 -0.015464 0.013412 -0.035880 -0.020742 0.016936 -0.061065 -0.016233 0.012469 -0.035880 -0.031708 0.025890 -0.014855 -0.083081 0.046744 0.024023 -0.047860 0.032891 -0.001489 -0.041798 0.040315 -0.001489 -0.062416 0.072054 0.024023 -0.060890 0.028636 -0.015875 -0.025675 0.020866 0.040939 -0.025579 0.020984 0.040939 -0.040235 0.053933 -0.015875 0.073370 -0.059906 0.156579 0.086758 -0.080552 0.160714 0.088364 -0.072149 0.157153 0.096276 -0.068895 0.160714 0.091720 -0.074889 0.153689 0.047346 -0.085251 0.157307 0.073413 -0.059942 -0.545602 0.092997 -0.029340 0.157307 0.042300 -0.028879 0.187442 0.020245 -0.019998 0.184283 0.023643 -0.015836 0.184283 0.036755 -0.035670 0.187442 0.078421 -0.039242 0.198452 0.054133 -0.068988 0.198452 0.056328 -0.213946 -0.016442 0.220889 -0.012401 -0.016442 0.033059 -0.035325 -0.077114 0.028718 -0.023448 -0.076385 0.041223 -0.025326 -0.077114 0.037147 -0.030330 -0.102102 -0.054395 -0.098932 -0.187453 -0.475748 0.388447 -0.403947 0.086055 0.073083 -0.187453 0.046424 -0.037905 -0.073757 -0.044871 0.064310 -0.584920 -0.047462 0.050218 -0.520088 -0.058695 0.036459 -0.520088 -0.048735 0.044517 -0.534789 -0.053364 0.038847 -0.534789 -11.188489 -13.785873 -8.055658 11.269644 13.719610 -8.055658 -0.071985 0.031102 -0.584920 0.129371 -0.105631 16.764377 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 vasp 5.4.4 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex LinuxIFC 2025-03-27T11:18:18.000 16.258337408 10.282675435139586 23.131322683 90.0 90.0 50.77 7641.51940000001 0 1 450 0.1E-04 -.3E-01 2 0.1500 0.0 1326.0000 -1.0000 0 0.03 T 3 PE 8 0 false F 0.0000 2 PAW_PBE Cu 22Jun2005|PAW_PBE O 08Apr2002 Cu O 63.55 16.00 11.00 6.00 120 1 16.2583374084 10.282675435547487 23.1313226826 90.0 90.0 50.77 7641.51940000001