-0.001651 -0.000432 0.108617 0.022844 0.005386 0.130984 -0.013452 0.003760 0.092402 -0.017046 -0.012602 0.105947 -0.010030 -0.008905 0.133968 -0.014822 0.012548 0.124478 -0.028818 -0.003576 0.048520 0.011425 0.012464 0.105816 -0.039945 0.016106 0.135234 -0.002978 -0.006698 0.082232 0.021347 -0.008700 0.115721 -0.008524 -0.011808 0.097628 -0.009275 0.023514 0.115699 0.004599 -0.005205 0.089703 -0.023638 -0.004931 0.124120 -0.014995 0.000928 0.128722 0.015453 0.008364 0.138239 -0.000912 -0.006859 0.136167 -0.005561 0.002787 0.142062 -0.004855 -0.000669 0.107030 -0.008895 -0.000926 0.120064 -0.003034 -0.001776 0.078797 -0.011054 -0.000938 0.120646 -0.005604 -0.020306 0.121288 0.016095 -0.011084 0.128990 -0.004716 0.016718 0.112595 0.008909 0.011451 0.132376 0.028295 -0.020178 0.116190 0.009855 0.006244 0.117966 0.038389 -0.009648 0.110878 -0.002069 -0.013442 0.115538 0.015281 0.015577 0.085313 -0.005020 -0.008235 0.096583 -0.000010 -0.008622 0.124052 0.008978 0.032231 0.103775 0.001985 -0.005847 0.104697 -0.021531 -0.003786 -0.002738 0.034800 0.017892 -0.006481 -0.016776 0.014960 0.034473 0.015784 0.004423 -0.034975 0.018617 -0.022107 0.020921 0.015688 -0.004973 -0.019238 0.001038 0.030134 -0.039750 -0.005356 -0.002432 -0.035678 -0.006869 0.035156 0.012501 0.017322 0.011957 -0.034736 -0.017558 0.027181 0.090131 -0.026129 0.007129 -0.026206 -0.004633 0.014241 -0.052936 -0.011772 -0.013771 0.008482 -0.013716 -0.004288 -0.022734 -0.043747 -0.031807 0.048019 0.003433 -0.019463 0.004171 -0.033350 -0.015715 0.018910 -0.015615 0.008451 0.055340 -0.012754 0.000519 0.057757 0.037602 0.000081 0.037631 -0.021604 0.014616 0.022165 -0.039177 0.021792 0.002898 -0.007894 -0.025195 0.072262 0.015469 -0.041923 0.031628 0.023650 0.012162 -0.038442 0.032774 0.013168 -0.021368 -0.018555 0.007271 0.031719 0.009683 -0.026078 -0.065982 0.036599 -0.011504 -0.061885 0.011949 -0.038354 -0.065335 -0.002462 0.006088 0.016345 0.018243 -0.011503 -0.019935 0.024137 0.019780 -0.031330 0.007393 -0.001999 0.078280 0.021460 0.010377 0.043771 0.064192 0.002581 0.483546 0.440482 0.200135 -0.771292 0.011456 -0.000560 0.381210 0.017487 -0.046606 0.252036 0.062009 0.029160 0.402654 0.102072 -0.002665 0.582293 0.603657 0.444353 -1.486274 -0.076598 0.039411 0.328432 0.118014 -0.044913 0.079343 -0.017122 -0.050083 0.290378 -0.089526 0.035936 0.291434 -0.002179 0.008420 0.401593 -0.040992 0.030434 0.360155 0.088479 0.033517 0.372105 0.017168 -0.083356 0.410283 0.029895 0.100025 0.335012 0.278657 -0.131522 -0.102641 -0.020802 0.022018 0.108043 -0.031516 0.000404 0.008673 -0.046717 0.017450 -0.003344 -0.023135 0.009270 0.142386 0.081574 -0.069675 0.121341 -0.197182 -0.031801 -0.059786 0.030108 -0.051891 0.469215 -0.047988 0.006215 0.303886 0.133020 -0.043286 0.251207 0.048018 0.123657 0.204629 -0.039526 -0.090685 0.243288 0.058369 0.042475 0.005696 0.031574 0.204848 0.257693 0.317978 -0.092293 0.016028 0.076111 -0.053103 0.460834 -0.017071 0.002098 0.512336 0.102255 0.082856 -0.002023 0.013761 0.023681 0.316425 -0.019960 -0.011954 0.318852 -0.156308 -0.181846 -0.468228 -0.416257 -0.041070 0.419609 0.205910 -0.122665 0.070190 0.590599 -0.273734 0.225548 -0.008262 0.409551 -0.154544 0.040876 0.940666 0.274630 0.348738 -0.186632 -0.202963 -0.345764 0.171398 -0.299625 0.659447 0.138314 -0.210875 0.229681 0.500157 -0.610717 -0.333921 0.164844 0.198922 0.446638 -0.030968 -0.715779 0.198174 -0.376895 -1.360296 -0.316709 0.223206 -0.029475 -0.401551 -0.094510 -0.422221 -4.551888 7.725706 -1.051501 0.195253 0.026034 -0.542554 -0.212743 -0.269103 0.554744 -0.186785 -0.060528 -0.807685 0.206595 -0.054894 -0.202142 0.008883 0.274969 -0.830801 0.000285 0.097333 0.232699 -0.131461 -0.103057 -0.367202 -0.887667 -0.171589 -0.173501 -0.131994 -0.276198 -0.027339 0.135716 0.236970 -0.644111 0.226288 0.186482 -0.530791 -0.449289 -0.551426 -0.453994 0.810934 0.217950 0.305846 -0.169293 0.965743 0.162115 0.625984 -0.560499 -0.070121 -0.648046 -0.948943 0.108499 0.280193 0.197393 -0.192594 -0.244784 -0.139799 -0.394348 -0.183335 -0.047542 1.081326 -0.687261 0.623216 0.100843 -0.137476 -0.489935 -0.379061 -0.283942 -0.165195 -0.256629 0.128770 0.115887 -0.690998 0.783126 0.007944 -0.401276 -0.917752 -0.488147 0.031283 -0.010336 0.406886 0.167898 -0.200131 -0.406139 -0.332047 0.335064 0.078907 0.002609 -0.531630 0.094742 -0.104333 0.331858 -0.020957 -0.120968 0.167531 0.105681 -0.179863 0.201033 -0.390613 -0.031885 0.226468 -0.326399 -0.535202 -0.533799 0.135421 -0.014249 -0.013512 0.349678 -0.391989 4.861771 -7.324492 1.096657 -0.140186 0.045479 -0.193639 -0.280904 -0.045932 0.013402 0.298768 -0.055211 0.031423 -0.602138 -0.275079 0.302146 -0.197348 -0.195159 -0.584372 0.275283 -0.893982 0.282505 0.151930 -0.094494 0.242614 0.157782 0.040273 -0.493272 0.057288 -0.299312 -0.175989 -0.414894 0.309427 -0.386586 0.046844 -0.020540 -0.522661 -0.494216 0.141338 -0.020011 -0.412421 0.597074 0.078297 -0.246918 -0.419693 -0.653770 1.003576 0.469746 -0.215282 -0.460547 -0.304420 0.961712 0.090028 0.109703 0.958339 -0.034560 -0.054244 -0.902705 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 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 May 11 2017 09:47:33) complex tekla2IFC 2024-03-28T07:56:51.000 15.424013153 15.424013153420331 22.0 90.0 90.0 60.0 11212.106100000026 0 2 450 0.1E-04 -.3E-01 2 0.1500 0.0 1946.0000 -1.0000 0 0.03 T 3 PE 8 0 false F 0.0000 2 PAW_PBE Cu 22Jun2005|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002 Cu C O 63.55 12.01 16.00 11.00 4.00 6.00 176 1 1 15.4240131534 15.42401315327033 22.0 90.0 90.0 60.0 11212.106100000026