155 2 63.55 16.00 11.00 6.00 -0.013320 -0.020705 -0.009864 0.066803 0.020348 0.013983 0.034041 0.018955 0.046197 0.057479 0.034548 -0.020811 -0.019760 -0.025249 -0.064485 0.007414 0.000041 0.029048 0.020016 0.053749 0.050901 -0.012761 -0.018070 -0.006571 0.002530 -0.013180 -0.097078 0.001995 -0.026544 -0.112599 -0.013591 -0.031134 0.033718 0.015023 0.020942 0.036528 0.023565 -0.056337 0.002937 -0.043558 0.002344 -0.021262 -0.034521 -0.011031 0.059036 -0.077320 0.008046 -0.101278 -0.011617 0.020488 0.013472 -0.037610 0.003025 0.070140 -0.026211 -0.038375 -0.022631 0.014912 -0.023710 0.013408 -0.001041 -0.012073 0.059188 -0.023113 -0.001857 -0.021931 -0.017964 0.014784 0.061201 0.001619 0.013779 0.005292 0.045228 0.030504 0.004898 0.009608 -0.056534 -0.026583 -0.043025 -0.062417 -0.015791 -0.063666 -0.053728 0.025471 -0.045058 0.018371 0.040239 -0.016959 -0.033132 -0.025416 -0.004596 0.005989 -0.083805 -0.070599 -0.084104 -0.011599 0.006866 0.054541 -0.058572 0.033888 0.017951 0.011384 0.046071 0.005886 -0.000106 -0.036476 -0.009319 0.035484 -0.037645 0.004643 -0.015052 -0.062962 -0.713261 -0.077377 -0.006102 0.060338 0.010233 0.019605 0.007828 0.003527 0.210662 -0.264783 0.043286 -0.028053 -0.000676 0.020306 0.208250 0.069920 -0.107081 -0.003781 0.008542 -0.075637 0.071885 0.046060 -0.064950 -0.022288 0.000735 -0.034978 0.016179 -0.052611 -0.020796 -0.049112 -0.023026 0.028832 -0.010210 0.021884 -0.003586 -0.060281 -0.012044 0.045284 -0.051658 0.010561 -0.004199 0.034543 0.026289 -0.029149 0.005734 -0.004148 -0.048220 -0.014691 0.012181 0.007512 0.045388 -0.018458 -0.015683 -0.010078 0.034709 -0.055362 -0.006017 0.007407 0.062298 -0.006627 -0.001115 0.010449 0.053699 0.002489 -0.005906 0.004681 -0.015802 0.018292 0.022855 0.049079 0.002513 0.019515 0.000027 -0.056080 0.013574 -0.021168 0.004741 0.011251 0.033808 -0.009088 -0.007443 0.049552 -0.016638 0.060198 -0.011336 0.025956 0.059909 -0.010271 0.039818 -0.004699 -0.026540 0.053810 -0.065610 -0.119500 0.149177 0.028563 0.016463 0.037039 0.490789 -0.181175 -0.939833 0.025268 0.025169 0.009976 -0.014864 0.022256 0.010601 349.498973 -1711.965803 1781.388043 0.041366 -0.052878 -0.008750 0.031181 0.058046 -0.015419 0.034407 0.008240 -0.071602 -0.020537 -0.001643 -0.028097 -0.057512 0.032540 0.020243 -0.020205 -0.002058 0.022662 0.001537 -0.018045 0.124437 0.020572 0.013863 -0.026705 -0.037118 -0.035595 0.012164 -0.020502 -0.051414 0.032142 -0.037310 -0.017403 0.032706 -0.003378 0.011547 0.028717 0.059924 -0.000008 -0.081392 -0.002382 0.030448 -0.023257 -0.055581 -0.114300 -0.018799 -0.023151 -0.027876 -0.048245 -0.007601 0.061659 -0.026855 0.028284 0.001517 0.044783 0.008524 0.004853 0.005491 -0.974979 -0.328372 -0.794176 -0.033131 0.281946 -0.492158 0.001551 0.003114 0.047056 0.275912 -0.134774 -0.185603 -0.830191 -1.072902 -0.178414 0.029525 0.006856 -0.362230 0.032215 0.449264 0.272091 0.015599 0.264906 0.204948 0.059545 -0.206504 -0.051408 -1.673697 0.181109 -0.498156 0.164638 -0.725214 -0.029622 0.082017 -0.048267 0.640791 -1.975808 2.342799 0.111759 -0.144256 -0.285555 -0.256046 -0.292291 -0.184915 -0.088326 -0.272771 0.242574 0.189580 0.108482 0.149858 0.215996 -1.037733 -0.227537 -0.927079 0.260982 -0.046848 0.177578 -0.220562 0.496468 0.020390 0.319984 0.375780 0.130004 0.578967 -0.330239 -0.176415 -0.588395 -1.033514 0.073745 0.062665 -0.096215 0.176564 -0.518191 0.594235 0.269780 -0.160905 0.367881 -0.311563 0.362414 0.406407 0.542434 0.634424 0.235228 -0.345305 0.395311 0.570268 0.210032 -0.352048 0.370048 -0.292504 -0.092602 -0.181852 -0.743548 -0.301769 -0.395112 0.419996 -0.338640 -0.007006 0.086229 0.446967 -0.593781 0.157986 0.184012 0.305494 1.123097 -0.065073 0.263188 0.149879 1.350816 -2.004883 1.382596 0.207499 0.213974 0.367123 0.311853 -0.176159 -0.356941 -0.017961 0.544458 0.638450 0.031328 1.027582 0.530142 1.765242 1.655329 -0.345774 -0.233619 -0.375622 0.144963 -0.187682 0.617211 -0.032034 0.394159 -0.444373 0.665810 0.208387 0.620470 0.163912 -0.109781 0.276897 0.286511 -0.215751 0.108703 0.411285 0.653171 -0.327006 0.059832 0.120392 -0.483696 -0.257851 0.210549 -1.025349 0.054808 0.312734 0.357521 -0.103356 -0.166499 0.163382 -0.108221 -0.152119 0.134905 -0.075902 0.120795 0.152505 -0.132416 0.405305 -0.168580 -0.496586 0.315634 -0.454446 -0.655699 0.105594 -0.074284 -0.433064 0.309451 -0.405055 0.260086 -0.261994 -0.122324 0.084829 -0.731174 -0.122539 -0.569359 -0.997544 0.674724 -0.184557 -348.409136 1710.271666 -1781.155633 0.363971 0.619667 0.091218 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 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 2025-03-18T16:38:00.000 14.541899 14.541899 22.0 90.0 90.0 90.0 9881.62880000002 14.541899 14.541899 22.0 90.0 90.0 90.0 9881.62880000002 0 2 450 0.1E-04 -.3E-01 2 0.1500 0.0 1717.0000 -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 PAW_PBE Cu 22Jun2005|PAW_PBE O 08Apr2002 Cu O 14.541899 14.541899 22.0 90.0 90.0 90.0 9881.62880000002