164 2 3 3 63.55 16.00 12.01 1.00 11.00 6.00 4.00 1.00 0.004721 0.026364 -0.022968 0.011044 0.027355 0.027556 -0.070291 0.056759 0.014458 0.036190 0.033221 0.045654 0.048448 -0.031977 -0.031592 -0.003015 0.024100 0.018310 -0.007856 -0.002435 0.008648 -0.004551 0.018182 0.023766 0.000070 0.019757 0.023672 0.041404 -0.020594 -0.042623 -0.058053 -0.040344 0.030020 -0.024401 -0.051273 -0.098087 0.049485 0.015713 -0.121795 -0.045977 -0.059853 0.036088 0.053422 -0.037647 -0.005104 -0.016562 0.086781 -0.010292 -0.024478 -0.052937 0.036805 0.015359 -0.020698 0.012055 -0.003404 -0.007115 -0.049224 0.017053 -0.050345 -0.032320 -0.045754 -0.055193 0.012094 0.022226 -0.005396 0.015756 0.018929 -0.006199 0.040173 0.003175 0.093484 0.027012 0.015734 0.003264 -0.039540 -0.054036 0.011863 0.010749 0.023652 -0.027823 0.031803 0.043663 0.002295 0.007933 -0.018758 0.066854 0.025444 -0.083150 0.051581 0.009883 -0.030144 0.042672 0.015533 0.004970 -0.039728 0.020064 -0.035235 0.006746 0.058804 -0.001458 -0.012976 0.020313 0.016981 0.006964 0.018491 0.024025 0.013768 0.070517 0.030120 -0.000627 0.007777 0.025625 -0.000244 0.005339 -0.003530 -0.009669 -0.022219 -0.047318 -0.015157 0.026898 0.006343 -0.009032 0.087627 0.007504 0.002790 -0.033016 -0.017584 0.018501 -0.021867 -0.020883 0.029566 -0.046356 0.034927 0.016524 -0.017502 -0.048150 -0.022074 0.002450 -0.023870 0.029311 -0.013481 -0.037175 -0.014337 -0.034464 0.027513 -0.065638 0.053357 -0.008342 0.041343 -0.016851 0.016134 0.022002 -0.052694 -0.003185 0.000070 -0.001380 -0.030713 0.038884 -0.003392 0.015248 0.023931 -0.054583 -0.012965 -0.033813 -0.023242 0.024780 0.025877 0.052145 0.003986 -0.027430 0.028647 0.039634 0.055271 -0.045878 0.030406 0.048840 0.064733 -0.000688 -0.015606 0.061145 0.004031 -0.040211 -0.060400 0.028789 -0.087210 -0.016671 -0.018883 -0.030819 -0.017389 -0.004054 0.042446 0.022497 0.001234 -0.041856 -0.007478 -0.023463 -0.023183 -0.019177 -0.046970 -0.015775 -0.028667 0.007433 -0.047187 -0.035938 -0.005225 0.004163 -0.040125 0.002449 -0.023363 -0.015377 0.012794 0.009298 0.007893 -0.013330 0.014458 -0.096142 0.002041 -0.019808 0.015482 -0.024911 -0.007123 0.047383 0.016775 -0.002678 0.023277 -0.003599 0.038817 0.018528 -0.020092 0.039447 -0.056588 0.027332 0.013205 0.056614 0.046658 -0.005025 0.019747 0.014669 -0.022479 -0.044438 0.071846 0.047936 0.023206 -0.012777 0.055167 0.002434 0.016207 0.048125 -0.026219 0.038331 -0.047189 -0.016435 -0.043030 -0.035935 0.019547 0.038885 -0.022258 0.046071 -0.006413 0.026040 -0.015038 0.007163 -0.015034 0.026808 0.000092 -0.008975 -0.031869 0.023020 -0.010381 -0.027453 -0.014377 -0.027304 -0.043901 -0.007624 0.021036 -0.060622 0.019785 0.022781 0.005706 0.009616 -0.011086 -0.010650 0.006036 -0.017764 0.010774 0.019264 -0.004107 -0.096638 -0.107308 -0.101250 -0.455544 -0.878143 1.181430 -0.526484 0.252293 -0.205813 -0.060348 0.647039 -0.314081 0.234265 -0.437256 0.044067 -0.297937 5.663304 -5.436216 -9.927112 0.034321 -0.631117 -0.451284 -0.682947 0.041790 -0.554529 0.601243 0.141351 -0.240790 0.408546 0.549251 -0.306760 -0.674677 0.458857 0.351658 0.573473 -0.123033 -0.772634 0.090546 -0.548987 -1.249185 -0.255023 0.311182 0.428604 0.712871 -0.300948 0.052886 0.157168 0.086695 0.568371 0.092599 0.238237 -0.059233 0.467332 -0.051346 0.063510 -0.310990 -0.117213 0.279926 0.184937 -0.149335 -0.196751 0.017569 0.444203 -0.313355 0.428018 -0.153328 -0.172006 -0.412417 -0.172934 -0.316647 -0.920365 -0.090655 -0.104598 -0.096261 -0.309941 0.165732 0.063031 0.459885 -0.588927 0.184771 0.172860 -0.639809 -0.135796 -0.641621 -0.343952 0.601561 0.156572 0.583671 -0.182647 0.926955 0.333129 0.806711 -0.338155 -0.549023 -0.569026 -0.946567 0.405922 0.137267 0.109513 -0.111793 -0.245727 -0.182948 -0.343863 -0.227180 -0.087471 1.041517 -0.646095 0.636144 0.173923 -0.197846 -0.513403 -0.070622 -0.324731 -0.179890 0.192243 0.218584 0.094492 -0.396294 0.717192 -0.144013 -0.158089 -0.906946 -0.398095 0.206029 -0.118240 0.343114 -0.400325 -0.394487 -0.618233 0.354543 0.438932 0.280091 0.210585 -0.476636 0.080772 0.019757 0.189530 -0.029110 0.688511 0.057767 -0.054738 -0.152041 0.167680 -0.091728 0.086477 0.380551 -0.152574 -0.535953 -0.332957 0.338197 -0.085184 0.344065 -0.262208 0.308512 0.062651 0.324854 -0.393673 -0.194159 0.847484 0.724261 -0.134594 0.192614 0.051527 0.320155 -0.078640 -0.004544 -0.608488 -0.215504 0.332929 -0.327583 0.074131 -0.341604 0.342243 -0.851470 0.495915 0.155548 -0.150056 0.171953 0.214327 -0.089053 -0.355327 0.099742 -0.538909 -0.130035 -0.510338 0.274172 -0.195149 0.001485 -0.347518 0.174116 -0.147864 0.558298 0.496137 -0.197424 -0.172127 0.249006 -0.590637 -0.383543 0.224889 1.004062 0.876157 0.600439 -0.054833 0.065752 -0.122338 -5.745685 6.340723 3.993274 0.099685 -0.073717 -0.959263 -0.139522 0.312382 2.777542 -0.365074 0.474461 5.615219 1.852557 -1.388508 0.497831 -0.181491 0.184808 -0.120213 -0.048306 0.026820 0.195072 -0.112605 -0.052959 -0.136665 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 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 2024-04-29T12:57:54.000 14.541899 14.541899 22.0 90.0 90.0 90.0 10489.574900000025 14.541899 14.541899 22.0 90.0 90.0 90.0 10489.574900000025 0 2 450 0.1E-04 -.3E-01 2 0.1500 0.0 1831.0000 -1.0000 0 0.03 T 3 PE 8 0 false F 0.0000 2 PAW_PBE Cu 22Jun2005|PAW_PBE O 08Apr2002|PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001 Cu O C H PAW_PBE Cu 22Jun2005|PAW_PBE O 08Apr2002|PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001 Cu O C H 14.541899 14.541899 22.0 90.0 90.0 90.0 10489.574900000025