264 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 8.578500 0.000000 0.000000 }, { 0.000000 13.823600 0.000000 }, { 0.000000 0.000000 31.932200 }] Pr 7.901142 11.041324 3.302747 2.080756 Pr 4.966608 4.129524 28.629453 2.080756 Pr 0.677358 2.782276 19.268847 2.080757 Pr 3.611892 9.694076 12.663353 2.080756 Pr 0.677358 2.782276 28.629453 2.080756 Pr 3.611892 9.694076 3.302747 2.080756 Pr 7.901142 11.041324 12.663353 2.080757 Pr 4.966608 4.129524 19.268847 2.080757 H 7.609987 8.222277 5.990481 0.127426 H 4.003586 13.548510 3.509349 0.158606 H 5.063889 2.564278 0.900488 0.139790 H 1.819500 0.342825 0.188400 0.138427 H 5.828233 7.149566 7.239030 0.326726 H 5.636932 2.413601 3.531701 0.381875 H 5.923454 1.018799 3.825478 0.393282 H 6.554832 1.667126 2.688691 0.390317 H 5.257763 1.310477 25.941719 0.127426 H 0.285664 6.636710 28.422851 0.158606 H 7.803861 9.476078 31.031712 0.139790 H 2.469750 7.254625 31.743800 0.138427 H 7.039517 0.237766 24.693170 0.326725 H 7.230818 9.325401 28.400499 0.381876 H 6.944296 7.930599 28.106722 0.393282 H 6.312918 8.578926 29.243509 0.390317 H 0.968513 5.601323 21.956581 0.127426 H 4.574914 0.275090 19.475449 0.158606 H 3.514611 11.259322 16.866588 0.139790 H 6.759000 13.480775 16.154500 0.138428 H 2.750267 6.674034 23.205130 0.326725 H 2.941568 11.409999 19.497801 0.381874 H 2.655046 12.804801 19.791578 0.393282 H 2.023668 12.156474 18.654791 0.390317 H 3.320737 12.513123 9.975619 0.127426 H 8.292836 7.186890 12.456751 0.158606 H 0.774639 4.347522 15.065612 0.139790 H 6.108750 6.568975 15.777700 0.138428 H 1.538983 13.585834 8.727070 0.326726 H 1.347682 4.498199 12.434399 0.381873 H 1.634204 5.893001 12.140622 0.393282 H 2.265582 5.244674 13.277409 0.390316 H 0.968513 5.601323 25.941719 0.127426 H 4.574914 0.275090 28.422851 0.158606 H 3.514611 11.259322 31.031712 0.139790 H 6.759000 13.480775 31.743800 0.138427 H 2.750267 6.674034 24.693170 0.326725 H 2.941568 11.409999 28.400499 0.381876 H 2.655046 12.804801 28.106722 0.393282 H 2.023668 12.156474 29.243509 0.390317 H 3.320737 12.513123 5.990481 0.127426 H 8.292836 7.186890 3.509349 0.158606 H 0.774639 4.347522 0.900488 0.139790 H 6.108750 6.568975 0.188400 0.138427 H 1.538983 13.585834 7.239030 0.326725 H 1.347682 4.498199 3.531701 0.381875 H 1.634204 5.893001 3.825478 0.393282 H 2.265582 5.244674 2.688691 0.390317 H 7.609987 8.222277 9.975619 0.127426 H 4.003586 13.548510 12.456751 0.158606 H 5.063889 2.564278 15.065612 0.139790 H 1.819500 0.342825 15.777700 0.138427 H 5.828233 7.149566 8.727070 0.326725 H 5.636932 2.413601 12.434399 0.381873 H 5.923454 1.018799 12.140622 0.393282 H 6.554832 1.667126 13.277409 0.390316 H 5.257763 1.310477 21.956581 0.127426 H 0.285664 6.636710 19.475449 0.158606 H 7.803861 9.476078 16.866588 0.139790 H 2.469750 7.254625 16.154500 0.138428 H 7.039517 0.237766 23.205130 0.326724 H 7.230818 9.325401 19.497801 0.381874 H 6.944296 7.930599 19.791578 0.393282 H 6.312918 8.578926 18.654791 0.390316 H 2.147199 9.792638 7.983050 0.130373 H 2.142051 2.880838 23.949150 0.130373 H 6.431301 4.030962 23.949150 0.130373 H 6.436449 10.942762 7.983050 0.130373 C 1.357977 9.474695 5.508304 0.629325 C 0.689711 9.093164 6.788466 -0.010163 C 8.032050 8.435161 6.791979 -0.219959 C 1.780039 12.658271 2.339992 0.598824 C 2.757988 13.701952 1.913377 0.030523 C 3.845742 0.188001 2.720304 -0.195404 C 4.682145 1.202653 2.314446 0.243846 C 4.486555 1.877245 1.144769 -0.245441 C 3.417674 1.533037 0.317725 0.008452 C 2.552962 0.555709 0.719432 -0.130084 C 3.217795 2.236658 30.953478 0.619579 C 2.931273 2.562895 26.423896 0.629325 C 3.599539 2.181364 25.143734 -0.010163 C 4.835700 1.523361 25.140221 -0.219959 C 2.509211 5.746471 29.592208 0.598824 C 1.531262 6.790152 30.018823 0.030523 C 0.443508 7.099801 29.211896 -0.195403 C 8.185605 8.114453 29.617754 0.243846 C 8.381194 8.789045 30.787431 -0.245441 C 0.871576 8.444837 31.614475 0.008452 C 1.736288 7.467509 31.212768 -0.130084 C 1.071455 9.148458 0.978722 0.619579 C 7.220523 4.348905 21.474404 0.629325 C 7.888789 4.730436 22.754566 -0.010163 C 0.546450 5.388439 22.758079 -0.219959 C 6.798461 1.165329 18.306092 0.598824 C 5.820512 0.121648 17.879477 0.030523 C 4.732758 13.635599 18.686404 -0.195404 C 3.896355 12.620947 18.280546 0.243847 C 4.091944 11.946355 17.110869 -0.245441 C 5.160826 12.290563 16.283825 0.008452 C 6.025538 13.267891 16.685532 -0.130084 C 5.360705 11.586942 14.987378 0.619579 C 5.647227 11.260705 10.457796 0.629325 C 4.978961 11.642236 9.177634 -0.010163 C 3.742800 12.300239 9.174121 -0.219959 C 6.069289 8.077129 13.626108 0.598824 C 7.047238 7.033448 14.052723 0.030523 C 8.134992 6.723799 13.245796 -0.195404 C 0.392895 5.709147 13.651654 0.243847 C 0.197305 5.034555 14.821331 -0.245441 C 7.706924 5.378763 15.648375 0.008452 C 6.842212 6.356091 15.246668 -0.130084 C 7.507045 4.675142 16.944822 0.619579 C 7.220523 4.348905 26.423896 0.629325 C 7.888789 4.730436 25.143734 -0.010163 C 0.546450 5.388439 25.140221 -0.219959 C 6.798461 1.165329 29.592208 0.598824 C 5.820512 0.121648 30.018823 0.030523 C 4.732758 13.635599 29.211896 -0.195403 C 3.896355 12.620947 29.617754 0.243846 C 4.091944 11.946355 30.787431 -0.245441 C 5.160826 12.290563 31.614475 0.008452 C 6.025538 13.267891 31.212768 -0.130084 C 5.360705 11.586942 0.978722 0.619579 C 5.647227 11.260705 5.508304 0.629325 C 4.978961 11.642236 6.788466 -0.010163 C 3.742800 12.300239 6.791979 -0.219959 C 6.069289 8.077129 2.339992 0.598824 C 7.047238 7.033448 1.913377 0.030523 C 8.134992 6.723799 2.720304 -0.195404 C 0.392895 5.709147 2.314446 0.243846 C 0.197305 5.034555 1.144769 -0.245441 C 7.706924 5.378763 0.317725 0.008452 C 6.842212 6.356091 0.719432 -0.130084 C 7.507045 4.675142 30.953478 0.619579 C 1.357977 9.474695 10.457796 0.629325 C 0.689711 9.093164 9.177634 -0.010163 C 8.032050 8.435161 9.174121 -0.219959 C 1.780039 12.658271 13.626108 0.598824 C 2.757988 13.701952 14.052723 0.030523 C 3.845742 0.188001 13.245796 -0.195404 C 4.682145 1.202653 13.651654 0.243847 C 4.486555 1.877245 14.821331 -0.245441 C 3.417674 1.533037 15.648375 0.008452 C 2.552962 0.555709 15.246668 -0.130084 C 3.217795 2.236658 16.944822 0.619579 C 2.931273 2.562895 21.474404 0.629325 C 3.599539 2.181364 22.754566 -0.010163 C 4.835700 1.523361 22.758079 -0.219959 C 2.509211 5.746471 18.306092 0.598824 C 1.531262 6.790152 17.879477 0.030523 C 0.443508 7.099801 18.686404 -0.195404 C 8.185605 8.114453 18.280546 0.243847 C 8.381194 8.789045 17.110869 -0.245441 C 0.871576 8.444837 16.283825 0.008452 C 1.736288 7.467509 16.685532 -0.130084 C 1.071455 9.148458 14.987378 0.619579 C 1.308221 9.390371 7.983050 -0.135305 C 7.454716 8.111688 7.983050 0.333913 C 2.981029 2.478571 23.949150 -0.135305 C 5.413033 1.199888 23.949150 0.333913 C 7.270279 4.433229 23.949150 -0.135305 C 1.123783 5.711912 23.949150 0.333913 C 5.597471 11.345029 7.983050 -0.135305 C 3.165466 12.623712 7.983050 0.333913 N 8.220777 13.444833 5.166630 0.752075 N 5.811934 1.617361 3.176615 -0.551948 N 4.646973 6.533033 26.765570 0.752075 N 7.055816 8.529161 28.755585 -0.551949 N 0.357723 0.378767 21.132730 0.752075 N 2.766566 12.206239 19.142715 -0.551948 N 3.931527 7.290567 10.799470 0.752075 N 1.522684 5.294439 12.789485 -0.551948 N 0.357723 0.378767 26.765570 0.752076 N 2.766566 12.206239 28.755585 -0.551949 N 3.931527 7.290567 5.166630 0.752076 N 1.522684 5.294439 3.176615 -0.551948 N 8.220777 13.444833 10.799470 0.752076 N 5.811934 1.617361 12.789485 -0.551948 N 4.646973 6.533033 21.132730 0.752076 N 7.055816 8.529161 19.142715 -0.551948 N 6.195393 7.374891 7.983050 -0.753944 N 6.672357 0.463091 23.949150 -0.753943 N 2.383107 6.448709 23.949150 -0.753943 N 1.906143 13.360509 7.983050 -0.753944 O 2.122321 11.651912 3.035156 -0.689263 O 0.564465 12.837977 2.028014 -0.626020 O 0.687996 9.400048 4.421332 -0.751065 O 2.543525 9.836874 5.539598 -0.605130 O 4.117680 3.060545 30.590728 -0.658905 O 2.205532 1.947745 30.273642 -0.641103 O 7.320892 13.385392 4.290730 -0.592955 O 0.513852 12.575329 5.227301 -0.433879 O 8.181315 0.533591 6.025606 -0.456030 O 2.166929 4.740112 28.897044 -0.689263 O 3.724785 5.926177 29.904186 -0.626020 O 3.601254 2.488248 27.510868 -0.751065 O 1.745725 2.925074 26.392602 -0.605130 O 0.171570 9.972345 1.341472 -0.658905 O 2.083718 8.859545 1.658558 -0.641103 O 5.546858 6.473592 27.641470 -0.592955 O 3.775398 5.663529 26.704899 -0.433879 O 4.686435 7.445391 25.906594 -0.456030 O 6.456179 2.171688 19.001256 -0.689263 O 8.014035 0.985623 17.994114 -0.626019 O 7.890504 4.423552 20.387432 -0.751065 O 6.034975 3.986726 21.505698 -0.605130 O 4.460820 10.763055 14.624628 -0.658904 O 6.372968 11.875855 14.307542 -0.641103 O 1.257608 0.438208 20.256830 -0.592954 O 8.064648 1.248271 21.193401 -0.433879 O 0.397185 13.290009 21.991706 -0.456030 O 6.411571 9.083488 12.930944 -0.689263 O 4.853715 7.897423 13.938086 -0.626019 O 4.977246 11.335352 11.544768 -0.751065 O 6.832775 10.898526 10.426502 -0.605130 O 8.406930 3.851255 17.307572 -0.658904 O 6.494782 4.964055 17.624658 -0.641103 O 3.031642 7.350008 11.675370 -0.592954 O 4.803102 8.160071 10.738799 -0.433879 O 3.892065 6.378209 9.940494 -0.456029 O 6.456179 2.171688 28.897044 -0.689263 O 8.014035 0.985623 29.904186 -0.626020 O 7.890504 4.423552 27.510868 -0.751065 O 6.034975 3.986726 26.392602 -0.605130 O 4.460820 10.763055 1.341472 -0.658905 O 6.372968 11.875855 1.658558 -0.641103 O 1.257608 0.438208 27.641470 -0.592955 O 8.064648 1.248271 26.704899 -0.433879 O 0.397185 13.290009 25.906594 -0.456031 O 6.411571 9.083488 3.035156 -0.689263 O 4.853715 7.897423 2.028014 -0.626020 O 4.977246 11.335352 4.421332 -0.751065 O 6.832775 10.898526 5.539598 -0.605130 O 8.406930 3.851255 30.590728 -0.658905 O 6.494782 4.964055 30.273642 -0.641103 O 3.031642 7.350008 4.290730 -0.592955 O 4.803102 8.160071 5.227301 -0.433879 O 3.892065 6.378209 6.025606 -0.456031 O 2.122321 11.651912 12.930944 -0.689263 O 0.564465 12.837977 13.938086 -0.626019 O 0.687996 9.400048 11.544768 -0.751065 O 2.543525 9.836874 10.426502 -0.605130 O 4.117680 3.060545 17.307572 -0.658905 O 2.205532 1.947745 17.624658 -0.641103 O 7.320892 13.385392 11.675370 -0.592954 O 0.513852 12.575329 10.738799 -0.433879 O 8.181315 0.533591 9.940494 -0.456031 O 2.166929 4.740112 19.001256 -0.689263 O 3.724785 5.926177 17.994114 -0.626019 O 3.601254 2.488248 20.387432 -0.751065 O 1.745725 2.925074 21.505698 -0.605130 O 0.171570 9.972345 14.624628 -0.658905 O 2.083718 8.859545 14.307542 -0.641103 O 5.546858 6.473592 20.256830 -0.592955 O 3.775398 5.663529 21.193401 -0.433879 O 4.686435 7.445391 21.991706 -0.456031 The following XYZ coordinates are in angstroms. Other properties are in atomic units. The sperically averaged electron density of each atom fit to a function of the form exp(a - br) eigen_1, eigen_2 and eigen_3 are the three eigenvalues of traceless quadrupole moment tensor atom number atomic symbol X Y Z net charge C6 coefficient C8 coefficient C10 coefficient fluctuating dipole atomic polarizability isotropic forcefield polarizability a b squared Pearson coefficient wp_QDO m_QDO q_QDO dipole_x dipole_y dipole_z dipole Qxy Qxz Qyz Q(x^2-y^2) Q(3z^2 - R^2) eigen_1 eigen_2 eigen_3 static polarizability alpha(xx) alpha(xy) alpha(xz) alpha(yy) alpha(yz) alpha(zz) atomic spin moment 1 Pr 7.901142 11.041324 3.302747 2.080756 203.434460 0.53924954E+04 0.21072525E+06 22.537050 19.726169 2.705484 2.471113 0.999077 89.061879 222.054467 0.579232 0.270600 -1.338250 -0.015199 -0.056985 -0.039201 0.070816 -0.013025 0.026577 -0.034129 -0.012285 -0.018922 -0.039445 -0.010959 0.050404 25.946895 29.693287 1.140420 -3.499865 22.238006 1.739774 25.909394 0.000025 2 Pr 4.966608 4.129524 28.629453 2.080756 203.434431 0.53924946E+04 0.21072521E+06 22.537044 19.726164 2.705484 2.471113 0.999077 89.061869 222.054424 0.579232 0.270599 -1.338250 0.015199 -0.056985 0.039201 0.070816 0.013025 0.026577 0.034128 -0.012285 -0.018922 -0.039445 -0.010959 0.050404 25.946888 29.693278 -1.140421 -3.499864 22.238002 -1.739771 25.909383 0.000027 3 Pr 0.677358 2.782276 19.268847 2.080757 203.434430 0.53924949E+04 0.21072521E+06 22.537036 19.726158 2.705484 2.471113 0.999077 89.061871 222.054402 0.579232 0.270599 -1.338250 0.015199 0.056985 -0.039201 0.070816 -0.013025 -0.026577 0.034129 -0.012285 -0.018922 -0.039445 -0.010958 0.050404 25.946877 29.693264 1.140419 3.499860 22.237991 -1.739770 25.909376 0.000022 4 Pr 3.611892 9.694076 12.663353 2.080756 203.434443 0.53924953E+04 0.21072523E+06 22.537039 19.726160 2.705484 2.471113 0.999077 89.061875 222.054418 0.579232 0.270599 -1.338250 -0.015198 0.056985 0.039201 0.070816 0.013025 -0.026577 -0.034128 -0.012285 -0.018922 -0.039445 -0.010958 0.050404 25.946880 29.693268 -1.140418 3.499862 22.237991 1.739771 25.909382 0.000021 5 Pr 0.677358 2.782276 28.629453 2.080756 203.434447 0.53924951E+04 0.21072523E+06 22.537048 19.726168 2.705484 2.471113 0.999077 89.061875 222.054452 0.579232 0.270599 -1.338250 0.015198 0.056985 0.039201 0.070816 -0.013025 0.026577 -0.034128 -0.012285 -0.018921 -0.039445 -0.010959 0.050404 25.946892 29.693284 1.140421 -3.499864 22.238006 1.739771 25.909388 0.000025 6 Pr 3.611892 9.694076 3.302747 2.080756 203.434432 0.53924946E+04 0.21072520E+06 22.537044 19.726164 2.705484 2.471113 0.999077 89.061869 222.054421 0.579232 0.270599 -1.338250 -0.015198 0.056985 -0.039201 0.070816 0.013025 0.026577 0.034128 -0.012285 -0.018922 -0.039445 -0.010959 0.050404 25.946887 29.693277 -1.140419 -3.499864 22.237999 -1.739772 25.909386 0.000026 7 Pr 7.901142 11.041324 12.663353 2.080757 203.434404 0.53924941E+04 0.21072517E+06 22.537029 19.726152 2.705484 2.471113 0.999077 89.061860 222.054351 0.579233 0.270599 -1.338250 -0.015199 -0.056985 0.039201 0.070816 -0.013025 -0.026577 0.034129 -0.012285 -0.018922 -0.039445 -0.010958 0.050404 25.946869 29.693255 1.140417 3.499860 22.237982 -1.739771 25.909371 0.000023 8 Pr 4.966608 4.129524 19.268847 2.080757 203.434379 0.53924934E+04 0.21072513E+06 22.537024 19.726148 2.705484 2.471113 0.999077 89.061852 222.054316 0.579233 0.270599 -1.338251 0.015199 -0.056985 -0.039201 0.070816 0.013025 -0.026577 -0.034128 -0.012285 -0.018922 -0.039445 -0.010958 0.050404 25.946862 29.693247 -1.140418 3.499858 22.237979 1.739769 25.909362 0.000026 9 H 7.609987 8.222277 5.990481 0.127426 1.035536 0.74944295E+01 0.73492237E+02 1.787419 1.674352 -1.267608 2.289570 0.993891 3.705165 10.894684 0.445263 1.402769 -0.682391 -0.021060 -0.000613 -0.027209 0.034412 0.008542 0.003319 0.004586 0.009228 0.017690 -0.012944 0.001302 0.011642 1.856826 1.735499 0.131193 0.291934 1.462664 0.193617 2.372313 -0.000001 10 H 4.003586 13.548510 3.509349 0.158606 0.908210 0.63131326E+01 0.59300150E+02 1.643086 1.541023 -1.124134 2.377443 0.997292 3.407695 9.801617 0.462265 1.410602 -0.681550 0.003325 -0.025882 0.030670 0.040268 0.005795 0.002764 -0.002716 0.010990 0.022103 -0.012327 0.003812 0.008515 1.706047 1.429315 -0.023156 0.136722 1.646620 -0.496302 2.042207 0.000001 11 H 5.063889 2.564278 0.900488 0.139790 0.933125 0.67000300E+01 0.63011336E+02 1.585271 1.520348 -0.932156 2.449417 0.999161 3.305298 9.098151 0.503412 1.293721 -0.706017 0.021211 0.026645 -0.018957 0.038978 0.009334 0.001805 -0.002683 0.003774 -0.019459 -0.009606 -0.003165 0.012770 1.614250 1.587117 0.375850 -0.081132 1.812808 -0.223075 1.442826 0.000003 12 H 1.819500 0.342825 0.188400 0.138427 0.963716 0.72237518E+01 0.69881042E+02 1.674995 1.623282 -1.303264 2.283405 0.994775 3.544922 10.205019 0.462864 1.367906 -0.689729 -0.035721 -0.007897 -0.021737 0.042554 0.004694 0.010791 0.003870 0.004159 -0.012827 -0.011656 -0.002514 0.014170 1.680507 1.894836 0.135674 0.287914 1.479417 -0.045976 1.667267 0.000003 13 H 5.828233 7.149566 7.239030 0.326726 0.619953 0.39712875E+01 0.33649805E+02 1.337250 1.271568 -1.498305 2.271372 0.997777 2.828248 8.056841 0.473452 1.526790 -0.659683 -0.008584 -0.000142 -0.017421 0.019421 0.016980 -0.010477 -0.001263 0.022244 0.036030 -0.026715 0.003545 0.023171 1.365220 1.326839 0.116942 0.282940 1.117083 0.132182 1.651737 -0.000001 14 H 5.636932 2.413601 3.531701 0.381875 0.472459 0.27889611E+01 0.20958006E+02 1.019481 0.993258 -0.997575 2.608786 0.999988 1.892125 4.576580 0.614449 1.326517 -0.705299 -0.008250 0.020204 0.011384 0.024614 -0.002942 -0.006027 0.004987 -0.014859 -0.000618 -0.010767 -0.000792 0.011559 1.022065 0.872610 -0.073208 -0.016082 1.276498 0.156333 0.917088 0.000005 15 H 5.923454 1.018799 3.825478 0.393282 0.471566 0.27599782E+01 0.21219519E+02 1.108849 1.056114 -1.200235 2.486530 0.999991 2.179169 5.793745 0.525689 1.515471 -0.665056 -0.010332 -0.010881 0.008573 0.017281 0.005984 -0.011576 0.004413 -0.006547 0.008574 -0.016169 0.004913 0.011256 1.132861 0.987383 -0.096789 0.117139 1.206180 -0.305901 1.205020 0.000001 16 H 6.554832 1.667126 2.688691 0.390317 0.455564 0.27611492E+01 0.21039340E+02 1.058686 1.040069 -1.161209 2.535416 0.999796 1.994622 5.125496 0.547140 1.469147 -0.676335 0.017134 -0.003206 -0.017075 0.024401 0.001261 -0.009510 0.001767 0.005816 0.002373 -0.008751 -0.002455 0.011206 1.056541 1.235675 0.029374 -0.172964 0.916827 -0.037617 1.017121 0.000003 17 H 5.257763 1.310477 25.941719 0.127426 1.035536 0.74944287E+01 0.73492234E+02 1.787419 1.674353 -1.267608 2.289569 0.993891 3.705165 10.894687 0.445263 1.402770 -0.682391 0.021060 -0.000613 0.027209 0.034412 -0.008542 0.003319 -0.004586 0.009228 0.017690 -0.012944 0.001302 0.011642 1.856826 1.735500 -0.131193 0.291934 1.462665 -0.193618 2.372315 -0.000000 18 H 0.285664 6.636710 28.422851 0.158606 0.908210 0.63131318E+01 0.59300145E+02 1.643086 1.541023 -1.124135 2.377443 0.997292 3.407695 9.801620 0.462264 1.410603 -0.681549 -0.003325 -0.025882 -0.030670 0.040269 -0.005795 0.002764 0.002716 0.010990 0.022103 -0.012327 0.003812 0.008515 1.706048 1.429315 0.023156 0.136722 1.646621 0.496302 2.042207 0.000002 19 H 7.803861 9.476078 31.031712 0.139790 0.933125 0.67000352E+01 0.63011400E+02 1.585271 1.520349 -0.932157 2.449416 0.999161 3.305301 9.098162 0.503412 1.293721 -0.706017 -0.021211 0.026645 0.018957 0.038978 -0.009334 0.001805 0.002683 0.003774 -0.019459 -0.009606 -0.003165 0.012770 1.614251 1.587117 -0.375850 -0.081132 1.812809 0.223075 1.442827 0.000003 20 H 2.469750 7.254625 31.743800 0.138427 0.963716 0.72237499E+01 0.69881022E+02 1.674995 1.623282 -1.303264 2.283405 0.994775 3.544922 10.205020 0.462864 1.367906 -0.689729 0.035721 -0.007897 0.021737 0.042554 -0.004694 0.010791 -0.003870 0.004159 -0.012827 -0.011656 -0.002514 0.014170 1.680507 1.894836 -0.135673 0.287914 1.479417 0.045976 1.667267 0.000003 21 H 7.039517 0.237766 24.693170 0.326725 0.619954 0.39712929E+01 0.33649861E+02 1.337251 1.271569 -1.498306 2.271371 0.997777 2.828250 8.056847 0.473452 1.526789 -0.659683 0.008584 -0.000142 0.017421 0.019421 -0.016980 -0.010477 0.001263 0.022244 0.036030 -0.026715 0.003545 0.023171 1.365220 1.326840 -0.116942 0.282940 1.117083 -0.132182 1.651738 0.000000 22 H 7.230818 9.325401 28.400499 0.381876 0.472459 0.27889590E+01 0.20957989E+02 1.019480 0.993258 -0.997575 2.608786 0.999988 1.892124 4.576579 0.614449 1.326518 -0.705299 0.008250 0.020204 -0.011384 0.024614 0.002942 -0.006027 -0.004987 -0.014859 -0.000618 -0.010767 -0.000792 0.011559 1.022065 0.872610 0.073208 -0.016082 1.276498 -0.156333 0.917088 0.000006 23 H 6.944296 7.930599 28.106722 0.393282 0.471565 0.27599742E+01 0.21219483E+02 1.108848 1.056114 -1.200235 2.486530 0.999991 2.179168 5.793743 0.525689 1.515472 -0.665055 0.010332 -0.010881 -0.008573 0.017281 -0.005984 -0.011576 -0.004413 -0.006547 0.008574 -0.016169 0.004913 0.011256 1.132861 0.987383 0.096789 0.117139 1.206179 0.305901 1.205019 0.000002 24 H 6.312918 8.578926 29.243509 0.390317 0.455564 0.27611479E+01 0.21039331E+02 1.058686 1.040069 -1.161209 2.535416 0.999796 1.994622 5.125498 0.547140 1.469149 -0.676335 -0.017134 -0.003206 0.017075 0.024401 -0.001260 -0.009510 -0.001767 0.005816 0.002373 -0.008751 -0.002455 0.011206 1.056541 1.235675 -0.029374 -0.172964 0.916827 0.037617 1.017121 0.000004 25 H 0.968513 5.601323 21.956581 0.127426 1.035537 0.74944346E+01 0.73492300E+02 1.787420 1.674353 -1.267608 2.289569 0.993891 3.705166 10.894688 0.445263 1.402769 -0.682391 0.021060 0.000613 -0.027209 0.034412 0.008542 -0.003319 -0.004586 0.009228 0.017690 -0.012944 0.001302 0.011642 1.856826 1.735500 0.131193 -0.291934 1.462665 -0.193618 2.372315 -0.000002 26 H 4.574914 0.275090 19.475449 0.158606 0.908210 0.63131326E+01 0.59300150E+02 1.643086 1.541023 -1.124134 2.377443 0.997292 3.407695 9.801617 0.462265 1.410602 -0.681550 -0.003325 0.025882 0.030670 0.040268 0.005795 -0.002764 0.002716 0.010990 0.022103 -0.012327 0.003812 0.008515 1.706047 1.429315 -0.023156 -0.136722 1.646620 0.496302 2.042207 0.000000 27 H 3.514611 11.259322 16.866588 0.139790 0.933124 0.67000223E+01 0.63011244E+02 1.585270 1.520347 -0.932155 2.449418 0.999161 3.305297 9.098146 0.503412 1.293721 -0.706017 -0.021211 -0.026645 -0.018957 0.038978 0.009334 -0.001805 0.002683 0.003774 -0.019459 -0.009606 -0.003165 0.012770 1.614249 1.587115 0.375849 0.081132 1.812807 0.223075 1.442825 0.000000 28 H 6.759000 13.480775 16.154500 0.138428 0.963716 0.72237474E+01 0.69880984E+02 1.674994 1.623280 -1.303263 2.283406 0.994775 3.544920 10.205010 0.462864 1.367905 -0.689729 0.035721 0.007897 -0.021737 0.042554 0.004694 -0.010791 -0.003870 0.004159 -0.012827 -0.011656 -0.002514 0.014170 1.680506 1.894835 0.135673 -0.287913 1.479416 0.045976 1.667266 0.000000 29 H 2.750267 6.674034 23.205130 0.326725 0.619954 0.39712976E+01 0.33649908E+02 1.337251 1.271569 -1.498307 2.271370 0.997777 2.828251 8.056849 0.473452 1.526789 -0.659683 0.008584 0.000142 -0.017421 0.019421 0.016980 0.010477 0.001263 0.022244 0.036030 -0.026715 0.003545 0.023171 1.365221 1.326840 0.116942 -0.282940 1.117084 -0.132182 1.651739 -0.000000 30 H 2.941568 11.409999 19.497801 0.381874 0.472459 0.27889602E+01 0.20958000E+02 1.019481 0.993258 -0.997576 2.608786 0.999988 1.892124 4.576579 0.614448 1.326519 -0.705299 0.008250 -0.020204 0.011384 0.024614 -0.002942 0.006027 -0.004987 -0.014859 -0.000618 -0.010767 -0.000792 0.011559 1.022066 0.872610 -0.073208 0.016082 1.276499 -0.156333 0.917089 0.000003 31 H 2.655046 12.804801 19.791578 0.393282 0.471565 0.27599773E+01 0.21219509E+02 1.108848 1.056114 -1.200235 2.486530 0.999991 2.179168 5.793740 0.525689 1.515470 -0.665056 0.010332 0.010881 0.008573 0.017281 0.005984 0.011576 -0.004413 -0.006547 0.008574 -0.016169 0.004913 0.011256 1.132860 0.987383 -0.096789 -0.117139 1.206179 0.305901 1.205019 0.000001 32 H 2.023668 12.156474 18.654791 0.390317 0.455564 0.27611502E+01 0.21039349E+02 1.058686 1.040069 -1.161209 2.535416 0.999796 1.994622 5.125496 0.547140 1.469147 -0.676336 -0.017134 0.003206 -0.017075 0.024401 0.001261 0.009510 -0.001767 0.005816 0.002373 -0.008751 -0.002455 0.011206 1.056541 1.235675 0.029374 0.172964 0.916827 0.037617 1.017121 0.000001 33 H 3.320737 12.513123 9.975619 0.127426 1.035536 0.74944308E+01 0.73492253E+02 1.787419 1.674352 -1.267608 2.289570 0.993891 3.705165 10.894684 0.445263 1.402769 -0.682391 -0.021060 0.000613 0.027209 0.034412 -0.008542 -0.003319 0.004586 0.009228 0.017690 -0.012944 0.001302 0.011642 1.856826 1.735499 -0.131193 -0.291934 1.462665 0.193617 2.372314 -0.000003 34 H 8.292836 7.186890 12.456751 0.158606 0.908210 0.63131297E+01 0.59300117E+02 1.643085 1.541023 -1.124133 2.377443 0.997292 3.407694 9.801614 0.462265 1.410603 -0.681550 0.003325 0.025881 -0.030670 0.040268 -0.005795 -0.002764 -0.002716 0.010990 0.022103 -0.012327 0.003812 0.008515 1.706047 1.429314 0.023156 -0.136722 1.646620 -0.496302 2.042206 -0.000001 35 H 0.774639 4.347522 15.065612 0.139790 0.933123 0.67000171E+01 0.63011179E+02 1.585269 1.520346 -0.932154 2.449418 0.999161 3.305294 9.098135 0.503412 1.293721 -0.706017 0.021211 -0.026645 0.018957 0.038978 -0.009334 -0.001805 -0.002683 0.003774 -0.019459 -0.009606 -0.003165 0.012770 1.614248 1.587115 -0.375849 0.081132 1.812806 -0.223074 1.442824 0.000000 36 H 6.108750 6.568975 15.777700 0.138428 0.963716 0.72237486E+01 0.69880995E+02 1.674994 1.623280 -1.303262 2.283406 0.994775 3.544920 10.205008 0.462865 1.367904 -0.689729 -0.035721 0.007897 0.021737 0.042554 -0.004694 -0.010791 0.003870 0.004159 -0.012827 -0.011656 -0.002514 0.014170 1.680505 1.894835 -0.135673 -0.287913 1.479416 -0.045976 1.667265 0.000000 37 H 1.538983 13.585834 8.727070 0.326726 0.619953 0.39712907E+01 0.33649838E+02 1.337251 1.271568 -1.498305 2.271371 0.997777 2.828249 8.056844 0.473452 1.526789 -0.659683 -0.008584 0.000142 0.017421 0.019421 -0.016980 0.010477 -0.001263 0.022244 0.036030 -0.026715 0.003545 0.023171 1.365220 1.326839 -0.116942 -0.282940 1.117083 0.132182 1.651738 -0.000001 38 H 1.347682 4.498199 12.434399 0.381873 0.472459 0.27889631E+01 0.20958024E+02 1.019481 0.993259 -0.997576 2.608785 0.999988 1.892125 4.576580 0.614448 1.326518 -0.705299 -0.008250 -0.020204 -0.011384 0.024614 0.002942 0.006027 0.004987 -0.014859 -0.000618 -0.010767 -0.000792 0.011559 1.022066 0.872610 0.073208 0.016082 1.276499 0.156333 0.917089 0.000002 39 H 1.634204 5.893001 12.140622 0.393282 0.471566 0.27599782E+01 0.21219517E+02 1.108848 1.056114 -1.200234 2.486531 0.999991 2.179168 5.793740 0.525689 1.515470 -0.665056 -0.010332 0.010880 -0.008573 0.017281 -0.005984 0.011576 0.004413 -0.006547 0.008574 -0.016169 0.004913 0.011256 1.132861 0.987383 0.096789 -0.117139 1.206180 -0.305901 1.205020 0.000000 40 H 2.265582 5.244674 13.277409 0.390316 0.455565 0.27611514E+01 0.21039357E+02 1.058686 1.040068 -1.161208 2.535416 0.999796 1.994622 5.125493 0.547141 1.469146 -0.676336 0.017134 0.003206 0.017075 0.024401 -0.001261 0.009510 0.001767 0.005816 0.002373 -0.008751 -0.002455 0.011206 1.056541 1.235675 -0.029374 0.172964 0.916827 -0.037617 1.017121 0.000000 41 H 0.968513 5.601323 25.941719 0.127426 1.035537 0.74944338E+01 0.73492293E+02 1.787420 1.674353 -1.267609 2.289569 0.993891 3.705166 10.894689 0.445263 1.402770 -0.682391 0.021060 0.000613 0.027209 0.034412 0.008542 0.003319 0.004586 0.009228 0.017690 -0.012944 0.001302 0.011642 1.856827 1.735500 0.131193 0.291934 1.462665 0.193618 2.372315 -0.000000 42 H 4.574914 0.275090 28.422851 0.158606 0.908210 0.63131318E+01 0.59300145E+02 1.643086 1.541023 -1.124135 2.377443 0.997292 3.407695 9.801620 0.462264 1.410603 -0.681549 -0.003325 0.025882 -0.030670 0.040269 0.005795 0.002764 -0.002716 0.010990 0.022103 -0.012327 0.003812 0.008515 1.706048 1.429315 -0.023156 0.136722 1.646621 -0.496302 2.042207 0.000002 43 H 3.514611 11.259322 31.031712 0.139790 0.933125 0.67000352E+01 0.63011400E+02 1.585271 1.520349 -0.932157 2.449417 0.999161 3.305301 9.098162 0.503412 1.293721 -0.706017 -0.021211 -0.026645 0.018957 0.038978 0.009334 0.001805 -0.002683 0.003774 -0.019459 -0.009606 -0.003165 0.012770 1.614251 1.587117 0.375850 -0.081132 1.812809 -0.223075 1.442827 0.000003 44 H 6.759000 13.480775 31.743800 0.138427 0.963716 0.72237554E+01 0.69881083E+02 1.674995 1.623282 -1.303264 2.283405 0.994775 3.544923 10.205021 0.462864 1.367905 -0.689729 0.035721 0.007897 0.021737 0.042554 0.004694 0.010791 0.003870 0.004159 -0.012827 -0.011656 -0.002514 0.014170 1.680507 1.894837 0.135674 0.287914 1.479417 -0.045976 1.667267 0.000003 45 H 2.750267 6.674034 24.693170 0.326725 0.619954 0.39712968E+01 0.33649903E+02 1.337252 1.271570 -1.498308 2.271370 0.997777 2.828251 8.056852 0.473451 1.526790 -0.659683 0.008584 0.000142 0.017421 0.019421 0.016980 -0.010477 -0.001263 0.022244 0.036030 -0.026715 0.003545 0.023171 1.365221 1.326840 0.116942 0.282940 1.117084 0.132182 1.651740 0.000000 46 H 2.941568 11.409999 28.400499 0.381876 0.472459 0.27889590E+01 0.20957989E+02 1.019480 0.993258 -0.997575 2.608786 0.999988 1.892124 4.576579 0.614449 1.326518 -0.705299 0.008250 -0.020204 -0.011384 0.024614 -0.002942 -0.006027 0.004987 -0.014859 -0.000618 -0.010767 -0.000792 0.011559 1.022065 0.872610 -0.073208 -0.016082 1.276498 0.156333 0.917088 0.000006 47 H 2.655046 12.804801 28.106722 0.393282 0.471565 0.27599746E+01 0.21219486E+02 1.108848 1.056114 -1.200235 2.486530 0.999991 2.179168 5.793742 0.525689 1.515471 -0.665055 0.010332 0.010881 -0.008573 0.017281 0.005984 -0.011576 0.004413 -0.006547 0.008574 -0.016169 0.004913 0.011256 1.132860 0.987383 -0.096789 0.117139 1.206179 -0.305901 1.205019 0.000002 48 H 2.023668 12.156474 29.243509 0.390317 0.455564 0.27611481E+01 0.21039331E+02 1.058686 1.040069 -1.161209 2.535416 0.999796 1.994622 5.125497 0.547140 1.469148 -0.676335 -0.017134 0.003206 0.017075 0.024401 0.001261 -0.009510 0.001767 0.005816 0.002373 -0.008750 -0.002455 0.011206 1.056541 1.235675 0.029374 -0.172963 0.916827 -0.037617 1.017121 0.000004 49 H 3.320737 12.513123 5.990481 0.127426 1.035536 0.74944295E+01 0.73492238E+02 1.787419 1.674352 -1.267608 2.289570 0.993891 3.705165 10.894684 0.445263 1.402769 -0.682391 -0.021060 0.000613 -0.027209 0.034412 -0.008542 0.003319 -0.004586 0.009228 0.017690 -0.012944 0.001302 0.011642 1.856826 1.735499 -0.131193 0.291934 1.462664 -0.193617 2.372313 -0.000001 50 H 8.292836 7.186890 3.509349 0.158606 0.908210 0.63131317E+01 0.59300145E+02 1.643086 1.541023 -1.124135 2.377443 0.997292 3.407695 9.801620 0.462264 1.410603 -0.681549 0.003325 0.025882 0.030670 0.040268 -0.005795 0.002764 0.002716 0.010990 0.022103 -0.012327 0.003812 0.008515 1.706048 1.429315 0.023156 0.136722 1.646621 0.496302 2.042207 0.000001 51 H 0.774639 4.347522 0.900488 0.139790 0.933125 0.67000295E+01 0.63011333E+02 1.585271 1.520348 -0.932156 2.449417 0.999161 3.305298 9.098152 0.503412 1.293721 -0.706017 0.021211 -0.026645 -0.018957 0.038978 -0.009334 0.001805 0.002683 0.003774 -0.019459 -0.009606 -0.003165 0.012770 1.614250 1.587117 -0.375850 -0.081132 1.812808 0.223075 1.442826 0.000003 52 H 6.108750 6.568975 0.188400 0.138427 0.963717 0.72237560E+01 0.69881088E+02 1.674995 1.623281 -1.303264 2.283405 0.994775 3.544923 10.205020 0.462864 1.367905 -0.689729 -0.035721 0.007897 -0.021737 0.042554 -0.004694 0.010791 -0.003870 0.004159 -0.012827 -0.011656 -0.002514 0.014170 1.680507 1.894836 -0.135674 0.287914 1.479417 0.045976 1.667267 0.000003 53 H 1.538983 13.585834 7.239030 0.326725 0.619955 0.39713032E+01 0.33649972E+02 1.337253 1.271571 -1.498309 2.271369 0.997777 2.828254 8.056863 0.473451 1.526790 -0.659683 -0.008584 0.000142 -0.017421 0.019421 -0.016980 -0.010477 0.001263 0.022244 0.036030 -0.026715 0.003545 0.023171 1.365223 1.326842 -0.116942 0.282941 1.117085 -0.132183 1.651741 -0.000001 54 H 1.347682 4.498199 3.531701 0.381875 0.472459 0.27889611E+01 0.20958006E+02 1.019481 0.993258 -0.997575 2.608786 0.999988 1.892125 4.576580 0.614449 1.326517 -0.705299 -0.008250 -0.020204 0.011384 0.024614 0.002942 -0.006027 -0.004987 -0.014859 -0.000618 -0.010767 -0.000792 0.011559 1.022065 0.872610 0.073208 -0.016082 1.276498 -0.156333 0.917088 0.000005 55 H 1.634204 5.893001 3.825478 0.393282 0.471565 0.27599757E+01 0.21219498E+02 1.108849 1.056114 -1.200235 2.486530 0.999991 2.179168 5.793744 0.525688 1.515472 -0.665055 -0.010332 0.010881 0.008573 0.017281 -0.005984 -0.011576 -0.004413 -0.006547 0.008574 -0.016169 0.004913 0.011256 1.132861 0.987383 0.096789 0.117139 1.206180 0.305901 1.205020 0.000001 56 H 2.265582 5.244674 2.688691 0.390317 0.455564 0.27611492E+01 0.21039340E+02 1.058686 1.040069 -1.161209 2.535416 0.999796 1.994622 5.125496 0.547140 1.469147 -0.676335 0.017134 0.003206 -0.017075 0.024401 -0.001261 -0.009510 -0.001767 0.005816 0.002373 -0.008751 -0.002455 0.011206 1.056541 1.235675 -0.029374 -0.172964 0.916827 0.037617 1.017121 0.000003 57 H 7.609987 8.222277 9.975619 0.127426 1.035536 0.74944308E+01 0.73492253E+02 1.787419 1.674352 -1.267608 2.289570 0.993891 3.705165 10.894684 0.445263 1.402769 -0.682391 -0.021060 -0.000613 0.027209 0.034412 0.008542 -0.003319 -0.004586 0.009228 0.017690 -0.012944 0.001302 0.011642 1.856826 1.735499 0.131193 -0.291934 1.462665 -0.193617 2.372314 -0.000003 58 H 4.003586 13.548510 12.456751 0.158606 0.908210 0.63131303E+01 0.59300124E+02 1.643086 1.541023 -1.124134 2.377443 0.997292 3.407694 9.801615 0.462264 1.410603 -0.681550 0.003325 -0.025881 -0.030670 0.040268 0.005795 -0.002764 0.002716 0.010990 0.022103 -0.012327 0.003812 0.008515 1.706047 1.429315 -0.023156 -0.136722 1.646620 0.496302 2.042207 -0.000001 59 H 5.063889 2.564278 15.065612 0.139790 0.933123 0.67000171E+01 0.63011179E+02 1.585269 1.520346 -0.932154 2.449418 0.999161 3.305294 9.098135 0.503412 1.293721 -0.706017 0.021211 0.026645 0.018957 0.038978 0.009334 -0.001805 0.002683 0.003774 -0.019459 -0.009606 -0.003165 0.012770 1.614248 1.587115 0.375849 0.081132 1.812806 0.223074 1.442824 0.000000 60 H 1.819500 0.342825 15.777700 0.138427 0.963716 0.72237526E+01 0.69881040E+02 1.674994 1.623281 -1.303263 2.283405 0.994775 3.544921 10.205010 0.462865 1.367904 -0.689729 -0.035721 -0.007897 0.021737 0.042554 0.004694 -0.010791 -0.003870 0.004159 -0.012827 -0.011656 -0.002514 0.014170 1.680506 1.894835 0.135673 -0.287913 1.479416 0.045976 1.667266 0.000000 61 H 5.828233 7.149566 8.727070 0.326725 0.619955 0.39713000E+01 0.33649937E+02 1.337252 1.271570 -1.498308 2.271370 0.997777 2.828252 8.056855 0.473451 1.526789 -0.659683 -0.008584 -0.000142 0.017421 0.019421 0.016980 0.010477 0.001263 0.022244 0.036030 -0.026715 0.003545 0.023171 1.365222 1.326841 0.116942 -0.282941 1.117084 -0.132182 1.651740 -0.000001 62 H 5.636932 2.413601 12.434399 0.381873 0.472459 0.27889634E+01 0.20958028E+02 1.019482 0.993259 -0.997576 2.608785 0.999988 1.892125 4.576581 0.614448 1.326519 -0.705299 -0.008250 0.020204 -0.011384 0.024614 -0.002942 0.006027 -0.004987 -0.014859 -0.000618 -0.010767 -0.000792 0.011559 1.022066 0.872610 -0.073208 0.016082 1.276500 -0.156333 0.917089 0.000002 63 H 5.923454 1.018799 12.140622 0.393282 0.471566 0.27599778E+01 0.21219515E+02 1.108848 1.056114 -1.200234 2.486531 0.999991 2.179168 5.793741 0.525689 1.515470 -0.665056 -0.010332 -0.010880 -0.008573 0.017281 0.005984 0.011576 -0.004413 -0.006547 0.008574 -0.016169 0.004913 0.011256 1.132861 0.987383 -0.096789 -0.117139 1.206180 0.305901 1.205020 0.000000 64 H 6.554832 1.667126 13.277409 0.390316 0.455565 0.27611514E+01 0.21039357E+02 1.058686 1.040068 -1.161208 2.535416 0.999796 1.994622 5.125493 0.547141 1.469146 -0.676336 0.017134 -0.003206 0.017075 0.024401 0.001261 0.009510 -0.001767 0.005816 0.002373 -0.008750 -0.002455 0.011206 1.056541 1.235675 0.029374 0.172964 0.916827 0.037617 1.017121 0.000000 65 H 5.257763 1.310477 21.956581 0.127426 1.035537 0.74944384E+01 0.73492344E+02 1.787420 1.674353 -1.267608 2.289569 0.993891 3.705167 10.894690 0.445263 1.402769 -0.682391 0.021060 -0.000613 -0.027209 0.034412 -0.008542 -0.003319 0.004586 0.009228 0.017690 -0.012944 0.001302 0.011642 1.856827 1.735500 -0.131193 -0.291934 1.462665 0.193618 2.372315 -0.000002 66 H 0.285664 6.636710 19.475449 0.158606 0.908210 0.63131338E+01 0.59300163E+02 1.643086 1.541023 -1.124134 2.377443 0.997292 3.407695 9.801617 0.462265 1.410602 -0.681550 -0.003325 -0.025882 0.030670 0.040268 -0.005795 -0.002764 -0.002716 0.010990 0.022103 -0.012327 0.003812 0.008515 1.706047 1.429315 0.023156 -0.136722 1.646621 -0.496302 2.042207 0.000000 67 H 7.803861 9.476078 16.866588 0.139790 0.933124 0.67000223E+01 0.63011244E+02 1.585270 1.520347 -0.932154 2.449418 0.999161 3.305297 9.098146 0.503412 1.293721 -0.706017 -0.021211 0.026645 -0.018957 0.038978 -0.009334 -0.001805 -0.002683 0.003774 -0.019459 -0.009606 -0.003165 0.012770 1.614249 1.587115 -0.375849 0.081132 1.812807 -0.223075 1.442825 0.000000 68 H 2.469750 7.254625 16.154500 0.138428 0.963716 0.72237474E+01 0.69880984E+02 1.674994 1.623280 -1.303263 2.283405 0.994775 3.544920 10.205010 0.462864 1.367905 -0.689729 0.035721 -0.007897 -0.021737 0.042554 -0.004694 -0.010791 0.003870 0.004159 -0.012827 -0.011656 -0.002514 0.014170 1.680506 1.894835 -0.135673 -0.287913 1.479416 -0.045976 1.667266 0.000000 69 H 7.039517 0.237766 23.205130 0.326724 0.619955 0.39713070E+01 0.33650010E+02 1.337254 1.271571 -1.498309 2.271369 0.997777 2.828255 8.056865 0.473451 1.526789 -0.659683 0.008584 -0.000142 -0.017421 0.019421 -0.016980 0.010477 -0.001263 0.022244 0.036030 -0.026715 0.003545 0.023171 1.365223 1.326842 -0.116942 -0.282941 1.117085 0.132183 1.651742 -0.000001 70 H 7.230818 9.325401 19.497801 0.381874 0.472459 0.27889599E+01 0.20957996E+02 1.019481 0.993258 -0.997576 2.608786 0.999988 1.892124 4.576578 0.614448 1.326518 -0.705299 0.008250 0.020204 0.011384 0.024614 0.002942 0.006027 0.004987 -0.014859 -0.000618 -0.010767 -0.000792 0.011559 1.022066 0.872610 0.073208 0.016082 1.276498 0.156333 0.917089 0.000003 71 H 6.944296 7.930599 19.791578 0.393282 0.471565 0.27599747E+01 0.21219484E+02 1.108848 1.056114 -1.200235 2.486530 0.999991 2.179167 5.793737 0.525689 1.515470 -0.665056 0.010332 -0.010881 0.008573 0.017281 -0.005984 0.011576 0.004413 -0.006547 0.008574 -0.016169 0.004913 0.011256 1.132860 0.987382 0.096789 -0.117139 1.206179 -0.305901 1.205019 0.000001 72 H 6.312918 8.578926 18.654791 0.390316 0.455564 0.27611501E+01 0.21039348E+02 1.058686 1.040069 -1.161209 2.535416 0.999796 1.994622 5.125495 0.547140 1.469147 -0.676336 -0.017134 -0.003206 -0.017075 0.024401 -0.001261 0.009510 0.001767 0.005816 0.002373 -0.008751 -0.002455 0.011206 1.056541 1.235675 -0.029374 0.172964 0.916827 -0.037617 1.017121 0.000001 73 H 2.147199 9.792638 7.983050 0.130373 0.938426 0.69006520E+01 0.66328819E+02 1.674322 1.607204 -1.297142 2.277729 0.994392 3.654945 10.661761 0.453953 1.403729 -0.681848 0.037829 0.015097 -0.000000 0.040730 0.005039 0.000000 0.000000 0.019148 -0.012852 -0.008677 -0.004284 0.012961 1.695282 2.046083 0.353417 -0.000000 1.451859 -0.000000 1.587905 -0.000004 74 H 2.142051 2.880838 23.949150 0.130373 0.938426 0.69006528E+01 0.66328827E+02 1.674322 1.607204 -1.297142 2.277730 0.994392 3.654945 10.661760 0.453953 1.403729 -0.681848 -0.037829 0.015097 0.000000 0.040730 -0.005039 0.000000 -0.000000 0.019148 -0.012852 -0.008677 -0.004284 0.012961 1.695282 2.046083 -0.353417 -0.000000 1.451859 0.000000 1.587905 -0.000003 75 H 6.431301 4.030962 23.949150 0.130373 0.938426 0.69006536E+01 0.66328834E+02 1.674322 1.607204 -1.297142 2.277730 0.994392 3.654945 10.661759 0.453953 1.403729 -0.681849 -0.037829 -0.015097 0.000000 0.040730 0.005039 -0.000000 0.000000 0.019148 -0.012852 -0.008677 -0.004284 0.012961 1.695282 2.046083 0.353417 0.000000 1.451859 0.000000 1.587905 -0.000003 76 H 6.436449 10.942762 7.983050 0.130373 0.938426 0.69006570E+01 0.66328877E+02 1.674323 1.607205 -1.297143 2.277729 0.994392 3.654946 10.661763 0.453953 1.403729 -0.681849 0.037829 -0.015097 -0.000000 0.040730 -0.005039 0.000000 0.000000 0.019148 -0.012852 -0.008677 -0.004284 0.012961 1.695283 2.046083 -0.353417 -0.000000 1.451859 0.000000 1.587905 -0.000004 77 C 1.357977 9.474695 5.508304 0.629325 23.358735 0.24580951E+03 0.51189558E+04 7.733694 5.682456 -0.224636 1.981177 0.999452 22.975829 66.640257 0.597061 0.492612 -0.998939 0.021394 0.026637 -0.055455 0.065135 -0.029752 0.028314 0.045639 -0.126016 -0.188436 -0.095168 -0.014914 0.110083 9.420563 10.466571 1.402770 -1.561567 4.831170 -1.171468 12.963949 -0.000002 78 C 0.689711 9.093164 6.788466 -0.010163 38.709334 0.44213544E+03 0.10395437E+05 9.994948 7.027265 -0.006023 2.006660 0.999297 27.319795 77.491057 0.621971 0.418840 -1.067057 -0.039357 0.008582 0.044922 0.060337 -0.006952 0.013467 0.003795 0.036728 -0.032917 -0.020451 -0.008693 0.029145 12.633376 12.146869 2.910654 -2.414364 6.158694 -1.153607 19.594565 -0.000003 79 C 8.032050 8.435161 6.791979 -0.219959 36.527660 0.48530587E+03 0.11804793E+05 9.745986 7.480818 -0.172970 1.911430 0.998561 31.188937 93.177289 0.582303 0.432428 -1.047324 -0.005158 0.050499 -0.017755 0.053778 0.000391 0.036013 0.015809 0.008569 -0.073558 -0.048691 0.008914 0.039778 11.209346 12.299939 3.137728 -2.081294 6.478531 -0.993666 14.849567 -0.000000 80 C 1.780039 12.658271 2.339992 0.598824 23.776699 0.25419514E+03 0.53155474E+04 7.741440 5.724822 -0.194571 1.992790 0.999128 22.878605 65.579846 0.605811 0.483491 -1.007888 -0.031777 -0.042967 0.018001 0.056391 -0.017782 0.005311 0.078070 -0.038469 0.283052 -0.084520 -0.047896 0.132416 9.323145 11.073558 2.666364 -0.955847 10.423396 -3.583146 6.472482 0.000004 81 C 2.757988 13.701952 1.913377 0.030523 36.070715 0.42790719E+03 0.99857149E+04 9.595070 6.959052 -0.153850 1.968249 0.998876 26.804840 75.913229 0.618436 0.424406 -1.062822 0.035598 0.019826 -0.005616 0.041132 -0.034647 0.009514 0.004981 0.024944 0.015016 -0.041308 0.006150 0.035158 11.823574 11.705300 4.988145 -0.639700 12.560667 -5.331847 11.204753 0.000005 82 C 3.845742 0.188001 2.720304 -0.195404 31.947395 0.45406990E+03 0.10820272E+05 8.842233 7.203067 -0.032355 1.974324 0.997682 29.792561 86.973519 0.599856 0.428493 -1.053847 -0.025276 -0.053413 -0.018344 0.061873 -0.031381 -0.013039 0.002929 0.008874 0.046828 -0.040246 0.007835 0.032411 9.770274 10.093499 3.118354 1.274008 9.817489 -2.980612 9.399833 0.000006 83 C 4.682145 1.202653 2.314446 0.243846 26.857380 0.33609901E+03 0.73493079E+04 7.791375 6.138790 0.295565 2.131689 0.998729 23.763739 64.159895 0.666189 0.420465 -1.070295 0.099743 0.003941 0.058729 0.115815 0.067488 0.112491 0.003754 0.108240 0.042854 -0.119257 -0.038546 0.157803 8.698080 8.528226 2.293828 2.167439 8.237046 -2.436957 9.328969 0.000003 84 C 4.486555 1.877245 1.144769 -0.245441 33.033520 0.47503651E+03 0.11403374E+05 8.829238 7.225195 0.092723 1.984109 0.999656 30.756444 88.966112 0.619151 0.412101 -1.068373 -0.015758 -0.009304 -0.067362 0.069804 0.014860 -0.019777 0.000104 0.004772 -0.104706 -0.041705 0.005794 0.035912 9.618637 8.426219 1.361575 2.464985 8.961944 -3.342923 11.467747 0.000006 85 C 3.417674 1.533037 0.317725 0.008452 35.737717 0.43512162E+03 0.10191844E+05 9.476143 6.975834 -0.228741 1.933835 0.998998 27.231224 77.146358 0.623521 0.419385 -1.066487 0.026680 -0.023994 0.037658 0.052016 0.005118 0.002021 0.014604 0.031723 -0.097308 -0.037997 0.004807 0.033190 11.487735 8.882311 1.882986 1.369128 11.369984 -6.097461 14.210911 0.000004 86 C 2.552962 0.555709 0.719432 -0.130084 34.314008 0.45534679E+03 0.10912432E+05 9.422249 7.299772 -0.247489 1.895118 0.999075 30.242724 89.987874 0.582397 0.438841 -1.042384 0.001640 -0.000760 0.004822 0.005150 -0.032900 -0.001728 0.026976 0.018752 -0.069198 -0.045160 -0.005178 0.050338 11.086143 8.849686 2.898422 -0.512280 12.239669 -6.211250 12.169073 0.000004 87 C 3.217795 2.236658 30.953478 0.619579 22.771511 0.24585973E+03 0.50996860E+04 7.505692 5.630236 -0.188503 1.998173 0.999168 22.584494 64.520835 0.610735 0.483501 -1.007662 -0.009878 0.038659 -0.059657 0.071771 -0.042421 -0.032601 0.056013 -0.043894 -0.096817 -0.064916 -0.031590 0.096506 8.850642 8.350068 1.164250 1.138668 7.999600 -3.813813 10.202259 0.000005 88 C 2.931273 2.562895 26.423896 0.629325 23.358735 0.24580952E+03 0.51189558E+04 7.733693 5.682456 -0.224636 1.981177 0.999452 22.975828 66.640249 0.597061 0.492612 -0.998939 -0.021394 0.026637 0.055455 0.065135 0.029752 0.028314 -0.045639 -0.126016 -0.188436 -0.095169 -0.014914 0.110083 9.420562 10.466570 -1.402770 -1.561567 4.831170 1.171468 12.963947 -0.000002 89 C 3.599539 2.181364 25.143734 -0.010163 38.709327 0.44213540E+03 0.10395436E+05 9.994946 7.027264 -0.006023 2.006660 0.999297 27.319793 77.491046 0.621971 0.418840 -1.067057 0.039357 0.008582 -0.044922 0.060337 0.006952 0.013467 -0.003795 0.036728 -0.032918 -0.020451 -0.008693 0.029145 12.633374 12.146867 -2.910654 -2.414365 6.158693 1.153607 19.594561 -0.000002 90 C 4.835700 1.523361 25.140221 -0.219959 36.527662 0.48530581E+03 0.11804792E+05 9.745986 7.480817 -0.172971 1.911430 0.998561 31.188940 93.177304 0.582303 0.432428 -1.047323 0.005158 0.050499 0.017755 0.053778 -0.000391 0.036013 -0.015809 0.008569 -0.073558 -0.048691 0.008914 0.039778 11.209347 12.299935 -3.137726 -2.081291 6.478531 0.993666 14.849575 0.000002 91 C 2.509211 5.746471 29.592208 0.598824 23.776703 0.25419517E+03 0.53155483E+04 7.741442 5.724823 -0.194571 1.992790 0.999128 22.878608 65.579860 0.605811 0.483491 -1.007888 0.031777 -0.042967 -0.018001 0.056391 0.017782 0.005311 -0.078070 -0.038469 0.283053 -0.084520 -0.047896 0.132416 9.323147 11.073560 -2.666365 -0.955848 10.423399 3.583148 6.472483 0.000004 92 C 1.531262 6.790152 30.018823 0.030523 36.070732 0.42790737E+03 0.99857204E+04 9.595074 6.959054 -0.153851 1.968248 0.998876 26.804847 75.913263 0.618436 0.424406 -1.062822 -0.035598 0.019826 0.005617 0.041132 0.034647 0.009514 -0.004981 0.024944 0.015016 -0.041308 0.006150 0.035158 11.823580 11.705306 -4.988149 -0.639701 12.560675 5.331851 11.204759 0.000005 93 C 0.443508 7.099801 29.211896 -0.195403 31.947407 0.45407004E+03 0.10820276E+05 8.842235 7.203067 -0.032356 1.974324 0.997682 29.792567 86.973542 0.599856 0.428493 -1.053847 0.025276 -0.053413 0.018345 0.061873 0.031381 -0.013039 -0.002929 0.008874 0.046828 -0.040246 0.007835 0.032410 9.770276 10.093502 -3.118356 1.274008 9.817492 2.980613 9.399835 0.000008 94 C 8.185605 8.114453 29.617754 0.243846 26.857391 0.33609913E+03 0.73493115E+04 7.791378 6.138791 0.295564 2.131688 0.998729 23.763746 64.159926 0.666189 0.420465 -1.070295 -0.099743 0.003941 -0.058729 0.115815 -0.067488 0.112491 -0.003754 0.108240 0.042855 -0.119258 -0.038546 0.157803 8.698084 8.528229 -2.293831 2.167437 8.237051 2.436959 9.328972 0.000003 95 C 8.381194 8.789045 30.787431 -0.245441 33.033538 0.47503692E+03 0.11403387E+05 8.829242 7.225199 0.092721 1.984108 0.999656 30.756462 88.966189 0.619150 0.412101 -1.068373 0.015758 -0.009304 0.067363 0.069804 -0.014860 -0.019777 -0.000104 0.004772 -0.104706 -0.041705 0.005793 0.035912 9.618641 8.426220 -1.361576 2.464982 8.961952 3.342928 11.467752 0.000007 96 C 0.871576 8.444837 31.614475 0.008452 35.737739 0.43512200E+03 0.10191855E+05 9.476148 6.975838 -0.228743 1.933835 0.998998 27.231231 77.146391 0.623521 0.419385 -1.066487 -0.026680 -0.023995 -0.037658 0.052016 -0.005118 0.002021 -0.014604 0.031723 -0.097308 -0.037997 0.004807 0.033190 11.487742 8.882316 -1.882987 1.369127 11.369992 6.097467 14.210918 0.000005 97 C 1.736288 7.467509 31.212768 -0.130084 34.314019 0.45534693E+03 0.10912436E+05 9.422251 7.299773 -0.247490 1.895118 0.999075 30.242730 89.987905 0.582397 0.438841 -1.042384 -0.001640 -0.000760 -0.004822 0.005150 0.032900 -0.001727 -0.026976 0.018752 -0.069198 -0.045160 -0.005178 0.050338 11.086147 8.849688 -2.898422 -0.512281 12.239673 6.211254 12.169078 0.000004 98 C 1.071455 9.148458 0.978722 0.619579 22.771512 0.24585975E+03 0.50996867E+04 7.505693 5.630237 -0.188503 1.998173 0.999168 22.584497 64.520850 0.610735 0.483501 -1.007662 0.009878 0.038659 0.059657 0.071771 0.042421 -0.032601 -0.056013 -0.043894 -0.096817 -0.064916 -0.031590 0.096506 8.850644 8.350069 -1.164250 1.138667 7.999601 3.813814 10.202260 0.000005 99 C 7.220523 4.348905 21.474404 0.629325 23.358737 0.24580954E+03 0.51189567E+04 7.733694 5.682456 -0.224636 1.981177 0.999452 22.975831 66.640262 0.597061 0.492612 -0.998939 -0.021394 -0.026637 -0.055455 0.065135 -0.029752 -0.028314 -0.045639 -0.126016 -0.188436 -0.095169 -0.014914 0.110083 9.420563 10.466571 1.402770 1.561567 4.831170 1.171468 12.963949 -0.000003 100 C 7.888789 4.730436 22.754566 -0.010163 38.709333 0.44213548E+03 0.10395438E+05 9.994947 7.027265 -0.006023 2.006660 0.999297 27.319796 77.491056 0.621971 0.418840 -1.067057 0.039357 -0.008582 0.044922 0.060337 -0.006952 -0.013467 -0.003795 0.036728 -0.032917 -0.020451 -0.008693 0.029145 12.633375 12.146868 2.910654 2.414365 6.158694 1.153607 19.594563 -0.000004 101 C 0.546450 5.388439 22.758079 -0.219959 36.527663 0.48530582E+03 0.11804792E+05 9.745986 7.480817 -0.172971 1.911430 0.998561 31.188942 93.177309 0.582304 0.432428 -1.047324 0.005158 -0.050499 -0.017755 0.053778 0.000391 -0.036014 -0.015809 0.008569 -0.073558 -0.048692 0.008914 0.039778 11.209347 12.299934 3.137726 2.081291 6.478531 0.993666 14.849575 -0.000000 102 C 6.798461 1.165329 18.306092 0.598824 23.776697 0.25419511E+03 0.53155465E+04 7.741440 5.724822 -0.194571 1.992790 0.999128 22.878602 65.579832 0.605811 0.483491 -1.007888 0.031777 0.042967 0.018001 0.056391 -0.017782 -0.005311 -0.078070 -0.038469 0.283052 -0.084520 -0.047896 0.132416 9.323144 11.073556 2.666363 0.955847 10.423394 3.583146 6.472482 0.000001 103 C 5.820512 0.121648 17.879477 0.030523 36.070713 0.42790715E+03 0.99857136E+04 9.595070 6.959052 -0.153850 1.968249 0.998876 26.804838 75.913222 0.618436 0.424406 -1.062822 -0.035598 -0.019826 -0.005616 0.041132 -0.034647 -0.009514 -0.004981 0.024944 0.015016 -0.041308 0.006150 0.035158 11.823574 11.705299 4.988144 0.639700 12.560667 5.331848 11.204755 0.000001 104 C 4.732758 13.635599 18.686404 -0.195404 31.947397 0.45406989E+03 0.10820272E+05 8.842233 7.203067 -0.032355 1.974324 0.997682 29.792560 86.973516 0.599856 0.428493 -1.053847 0.025276 0.053413 -0.018344 0.061873 -0.031381 0.013039 -0.002929 0.008873 0.046828 -0.040246 0.007835 0.032411 9.770275 10.093500 3.118355 -1.274007 9.817490 2.980613 9.399835 0.000002 105 C 3.896355 12.620947 18.280546 0.243847 26.857371 0.33609887E+03 0.73493041E+04 7.791373 6.138788 0.295566 2.131689 0.998729 23.763734 64.159877 0.666189 0.420465 -1.070295 -0.099742 -0.003942 0.058729 0.115815 0.067488 -0.112491 -0.003754 0.108240 0.042854 -0.119257 -0.038546 0.157803 8.698078 8.528222 2.293829 -2.167434 8.237046 2.436958 9.328966 0.000000 106 C 4.091944 11.946355 17.110869 -0.245441 33.033509 0.47503644E+03 0.11403372E+05 8.829237 7.225196 0.092722 1.984108 0.999656 30.756441 88.966107 0.619150 0.412101 -1.068373 0.015758 0.009304 -0.067362 0.069804 0.014860 0.019778 -0.000104 0.004772 -0.104706 -0.041706 0.005794 0.035912 9.618636 8.426215 1.361575 -2.464981 8.961946 3.342925 11.467746 -0.000000 107 C 5.160826 12.290563 16.283825 0.008452 35.737719 0.43512174E+03 0.10191848E+05 9.476144 6.975836 -0.228742 1.933835 0.998998 27.231220 77.146349 0.623521 0.419385 -1.066487 -0.026680 0.023994 0.037658 0.052016 0.005118 -0.002021 -0.014604 0.031723 -0.097307 -0.037997 0.004808 0.033189 11.487738 8.882312 1.882986 -1.369126 11.369987 6.097465 14.210914 0.000001 108 C 6.025538 13.267891 16.685532 -0.130084 34.314001 0.45534666E+03 0.10912427E+05 9.422247 7.299770 -0.247489 1.895118 0.999075 30.242718 89.987845 0.582397 0.438841 -1.042384 -0.001640 0.000760 0.004822 0.005150 -0.032900 0.001727 -0.026976 0.018752 -0.069198 -0.045160 -0.005178 0.050338 11.086141 8.849683 2.898420 0.512280 12.239666 6.211251 12.169074 -0.000002 109 C 5.360705 11.586942 14.987378 0.619579 22.771507 0.24585970E+03 0.50996853E+04 7.505692 5.630236 -0.188503 1.998173 0.999168 22.584493 64.520835 0.610735 0.483501 -1.007662 0.009878 -0.038659 -0.059657 0.071771 -0.042421 0.032601 -0.056013 -0.043894 -0.096817 -0.064916 -0.031590 0.096506 8.850642 8.350068 1.164250 -1.138667 7.999600 3.813813 10.202259 0.000001 110 C 5.647227 11.260705 10.457796 0.629325 23.358740 0.24580957E+03 0.51189574E+04 7.733695 5.682456 -0.224636 1.981177 0.999452 22.975833 66.640270 0.597061 0.492612 -0.998939 0.021394 -0.026637 0.055455 0.065135 0.029752 -0.028314 0.045639 -0.126016 -0.188436 -0.095169 -0.014914 0.110083 9.420564 10.466572 -1.402770 1.561567 4.831170 -1.171468 12.963951 -0.000004 111 C 4.978961 11.642236 9.177634 -0.010163 38.709342 0.44213554E+03 0.10395440E+05 9.994949 7.027265 -0.006023 2.006660 0.999297 27.319799 77.491068 0.621971 0.418840 -1.067057 -0.039357 -0.008582 -0.044922 0.060337 0.006952 -0.013467 0.003795 0.036728 -0.032917 -0.020451 -0.008693 0.029145 12.633377 12.146871 -2.910654 2.414364 6.158695 -1.153607 19.594567 -0.000005 112 C 3.742800 12.300239 9.174121 -0.219959 36.527664 0.48530592E+03 0.11804795E+05 9.745986 7.480818 -0.172970 1.911430 0.998561 31.188940 93.177298 0.582304 0.432428 -1.047324 -0.005158 -0.050499 0.017755 0.053778 -0.000391 -0.036014 0.015809 0.008569 -0.073558 -0.048692 0.008914 0.039778 11.209347 12.299940 -3.137728 2.081294 6.478532 -0.993666 14.849567 -0.000003 113 C 6.069289 8.077129 13.626108 0.598824 23.776692 0.25419508E+03 0.53155455E+04 7.741438 5.724821 -0.194570 1.992790 0.999128 22.878599 65.579818 0.605811 0.483491 -1.007888 -0.031777 0.042967 -0.018001 0.056391 0.017782 -0.005311 0.078070 -0.038469 0.283052 -0.084520 -0.047896 0.132416 9.323142 11.073554 -2.666362 0.955846 10.423392 -3.583145 6.472480 0.000000 114 C 7.047238 7.033448 14.052723 0.030523 36.070696 0.42790697E+03 0.99857082E+04 9.595066 6.959050 -0.153849 1.968249 0.998876 26.804831 75.913193 0.618436 0.424406 -1.062822 0.035598 -0.019827 0.005616 0.041132 0.034647 -0.009514 0.004981 0.024944 0.015016 -0.041308 0.006150 0.035158 11.823569 11.705294 -4.988142 0.639700 12.560661 -5.331845 11.204750 0.000001 115 C 8.134992 6.723799 13.245796 -0.195404 31.947386 0.45406978E+03 0.10820268E+05 8.842231 7.203066 -0.032355 1.974324 0.997682 29.792555 86.973494 0.599856 0.428493 -1.053847 -0.025276 0.053412 0.018344 0.061873 0.031381 0.013040 0.002929 0.008873 0.046828 -0.040246 0.007835 0.032411 9.770271 10.093496 -3.118353 -1.274008 9.817486 -2.980611 9.399832 0.000001 116 C 0.392895 5.709147 13.651654 0.243847 26.857362 0.33609877E+03 0.73493012E+04 7.791371 6.138787 0.295567 2.131689 0.998729 23.763728 64.159851 0.666189 0.420465 -1.070295 0.099742 -0.003942 -0.058729 0.115815 -0.067487 -0.112491 0.003754 0.108240 0.042854 -0.119257 -0.038546 0.157803 8.698075 8.528220 -2.293827 -2.167437 8.237042 -2.436955 9.328964 -0.000001 117 C 0.197305 5.034555 14.821331 -0.245441 33.033497 0.47503613E+03 0.11403362E+05 8.829233 7.225192 0.092724 1.984109 0.999656 30.756427 88.966043 0.619151 0.412101 -1.068373 -0.015758 0.009304 0.067362 0.069803 -0.014860 0.019778 0.000105 0.004772 -0.104706 -0.041706 0.005794 0.035912 9.618632 8.426214 -1.361573 -2.464984 8.961939 -3.342921 11.467742 -0.000001 118 C 7.706924 5.378763 15.648375 0.008452 35.737700 0.43512141E+03 0.10191838E+05 9.476140 6.975833 -0.228741 1.933836 0.998998 27.231215 77.146321 0.623521 0.419385 -1.066487 0.026680 0.023994 -0.037658 0.052016 -0.005118 -0.002020 0.014604 0.031723 -0.097307 -0.037997 0.004808 0.033189 11.487731 8.882307 -1.882985 -1.369128 11.369979 -6.097459 14.210907 0.000000 119 C 6.842212 6.356091 15.246668 -0.130084 34.313989 0.45534649E+03 0.10912422E+05 9.422244 7.299769 -0.247488 1.895119 0.999075 30.242711 89.987812 0.582397 0.438841 -1.042384 0.001640 0.000760 -0.004822 0.005150 0.032900 0.001728 0.026977 0.018752 -0.069198 -0.045160 -0.005178 0.050338 11.086137 8.849681 -2.898419 0.512280 12.239662 -6.211247 12.169068 -0.000002 120 C 7.507045 4.675142 16.944822 0.619579 22.771505 0.24585967E+03 0.50996845E+04 7.505691 5.630236 -0.188503 1.998173 0.999168 22.584490 64.520822 0.610735 0.483501 -1.007662 -0.009878 -0.038659 0.059657 0.071771 0.042421 0.032601 0.056013 -0.043894 -0.096817 -0.064916 -0.031590 0.096506 8.850641 8.350067 -1.164250 -1.138667 7.999599 -3.813813 10.202258 0.000001 121 C 7.220523 4.348905 26.423896 0.629325 23.358734 0.24580951E+03 0.51189556E+04 7.733694 5.682456 -0.224636 1.981177 0.999452 22.975828 66.640251 0.597061 0.492612 -0.998939 -0.021394 -0.026637 0.055455 0.065135 -0.029752 0.028314 0.045639 -0.126016 -0.188436 -0.095169 -0.014914 0.110083 9.420562 10.466570 1.402770 -1.561567 4.831170 -1.171467 12.963947 -0.000001 122 C 7.888789 4.730436 25.143734 -0.010163 38.709330 0.44213543E+03 0.10395436E+05 9.994947 7.027265 -0.006023 2.006660 0.999297 27.319794 77.491052 0.621971 0.418840 -1.067057 0.039357 -0.008582 -0.044922 0.060337 -0.006952 0.013467 0.003795 0.036728 -0.032918 -0.020451 -0.008693 0.029145 12.633375 12.146868 2.910654 -2.414365 6.158694 -1.153607 19.594563 -0.000002 123 C 0.546450 5.388439 25.140221 -0.219959 36.527661 0.48530581E+03 0.11804792E+05 9.745986 7.480817 -0.172971 1.911430 0.998561 31.188941 93.177306 0.582304 0.432428 -1.047324 0.005158 -0.050500 0.017755 0.053778 0.000391 0.036014 0.015808 0.008569 -0.073558 -0.048691 0.008914 0.039778 11.209346 12.299934 3.137726 -2.081291 6.478531 -0.993665 14.849574 0.000002 124 C 6.798461 1.165329 29.592208 0.598824 23.776704 0.25419518E+03 0.53155484E+04 7.741442 5.724823 -0.194571 1.992790 0.999128 22.878608 65.579858 0.605811 0.483491 -1.007888 0.031777 0.042967 -0.018001 0.056391 -0.017782 0.005311 0.078070 -0.038469 0.283053 -0.084520 -0.047896 0.132416 9.323147 11.073559 2.666365 -0.955848 10.423398 -3.583148 6.472483 0.000004 125 C 5.820512 0.121648 30.018823 0.030523 36.070732 0.42790737E+03 0.99857204E+04 9.595073 6.959054 -0.153851 1.968248 0.998876 26.804847 75.913260 0.618436 0.424406 -1.062822 -0.035598 -0.019826 0.005617 0.041132 -0.034647 0.009514 0.004981 0.024944 0.015016 -0.041308 0.006150 0.035158 11.823579 11.705306 4.988148 -0.639701 12.560674 -5.331851 11.204758 0.000005 126 C 4.732758 13.635599 29.211896 -0.195403 31.947405 0.45407001E+03 0.10820275E+05 8.842234 7.203067 -0.032356 1.974324 0.997682 29.792566 86.973536 0.599856 0.428493 -1.053847 0.025276 0.053413 0.018345 0.061873 -0.031381 -0.013039 0.002929 0.008874 0.046828 -0.040246 0.007835 0.032410 9.770276 10.093501 3.118356 1.274007 9.817491 -2.980613 9.399835 0.000008 127 C 3.896355 12.620947 29.617754 0.243846 26.857390 0.33609911E+03 0.73493109E+04 7.791378 6.138791 0.295564 2.131688 0.998729 23.763745 64.159925 0.666189 0.420465 -1.070295 -0.099743 -0.003941 -0.058729 0.115815 0.067488 0.112491 0.003754 0.108240 0.042855 -0.119258 -0.038546 0.157803 8.698084 8.528229 2.293831 2.167437 8.237051 -2.436959 9.328972 0.000003 128 C 4.091944 11.946355 30.787431 -0.245441 33.033538 0.47503692E+03 0.11403387E+05 8.829242 7.225199 0.092721 1.984108 0.999656 30.756462 88.966188 0.619150 0.412101 -1.068373 0.015758 0.009304 0.067363 0.069804 0.014860 -0.019777 0.000104 0.004772 -0.104706 -0.041705 0.005794 0.035912 9.618641 8.426220 1.361576 2.464982 8.961952 -3.342928 11.467752 0.000007 129 C 5.160826 12.290563 31.614475 0.008452 35.737737 0.43512197E+03 0.10191855E+05 9.476148 6.975838 -0.228743 1.933835 0.998998 27.231230 77.146389 0.623521 0.419385 -1.066487 -0.026680 0.023995 -0.037658 0.052016 0.005118 0.002021 0.014604 0.031723 -0.097308 -0.037997 0.004807 0.033190 11.487742 8.882316 1.882987 1.369127 11.369992 -6.097467 14.210918 0.000004 130 C 6.025538 13.267891 31.212768 -0.130084 34.314018 0.45534690E+03 0.10912435E+05 9.422251 7.299773 -0.247490 1.895118 0.999075 30.242730 89.987904 0.582397 0.438841 -1.042384 -0.001640 0.000760 -0.004822 0.005150 -0.032900 -0.001727 0.026976 0.018752 -0.069198 -0.045160 -0.005178 0.050338 11.086146 8.849688 2.898422 -0.512281 12.239673 -6.211254 12.169078 0.000005 131 C 5.360705 11.586942 0.978722 0.619579 22.771512 0.24585975E+03 0.50996868E+04 7.505693 5.630237 -0.188503 1.998173 0.999168 22.584497 64.520850 0.610735 0.483501 -1.007662 0.009878 -0.038659 0.059657 0.071771 -0.042421 -0.032601 0.056013 -0.043894 -0.096817 -0.064916 -0.031590 0.096506 8.850643 8.350069 1.164250 1.138667 7.999601 -3.813814 10.202260 0.000005 132 C 5.647227 11.260705 5.508304 0.629325 23.358735 0.24580951E+03 0.51189559E+04 7.733694 5.682456 -0.224636 1.981177 0.999452 22.975829 66.640256 0.597061 0.492612 -0.998939 0.021394 -0.026637 -0.055455 0.065135 0.029752 0.028314 -0.045639 -0.126016 -0.188436 -0.095168 -0.014914 0.110083 9.420563 10.466571 -1.402770 -1.561567 4.831170 1.171468 12.963949 -0.000002 133 C 4.978961 11.642236 6.788466 -0.010163 38.709334 0.44213544E+03 0.10395437E+05 9.994948 7.027265 -0.006023 2.006660 0.999297 27.319795 77.491055 0.621971 0.418840 -1.067057 -0.039357 -0.008582 0.044922 0.060337 0.006952 0.013467 -0.003795 0.036728 -0.032917 -0.020451 -0.008693 0.029145 12.633376 12.146869 -2.910654 -2.414364 6.158694 1.153607 19.594564 -0.000003 134 C 3.742800 12.300239 6.791979 -0.219959 36.527657 0.48530582E+03 0.11804792E+05 9.745986 7.480818 -0.172970 1.911430 0.998561 31.188935 93.177286 0.582303 0.432428 -1.047323 -0.005158 -0.050499 -0.017755 0.053778 -0.000391 0.036013 -0.015809 0.008569 -0.073558 -0.048691 0.008914 0.039778 11.209346 12.299940 -3.137728 -2.081294 6.478531 0.993666 14.849566 -0.000000 135 C 6.069289 8.077129 2.339992 0.598824 23.776699 0.25419513E+03 0.53155473E+04 7.741441 5.724822 -0.194571 1.992790 0.999128 22.878605 65.579848 0.605811 0.483491 -1.007888 -0.031777 0.042967 0.018001 0.056391 0.017782 0.005311 -0.078070 -0.038469 0.283052 -0.084520 -0.047896 0.132416 9.323146 11.073558 -2.666364 -0.955847 10.423396 3.583147 6.472482 0.000004 136 C 7.047238 7.033448 1.913377 0.030523 36.070717 0.42790722E+03 0.99857158E+04 9.595070 6.959052 -0.153850 1.968249 0.998876 26.804841 75.913234 0.618436 0.424406 -1.062822 0.035598 -0.019826 -0.005616 0.041132 0.034647 0.009514 -0.004981 0.024944 0.015016 -0.041308 0.006150 0.035158 11.823574 11.705301 -4.988146 -0.639700 12.560668 5.331848 11.204754 0.000005 137 C 8.134992 6.723799 2.720304 -0.195404 31.947394 0.45406989E+03 0.10820272E+05 8.842232 7.203066 -0.032355 1.974324 0.997682 29.792561 86.973518 0.599856 0.428493 -1.053847 -0.025276 0.053413 -0.018344 0.061873 0.031381 -0.013039 -0.002929 0.008874 0.046828 -0.040246 0.007835 0.032411 9.770273 10.093498 -3.118354 1.274008 9.817488 2.980612 9.399833 0.000007 138 C 0.392895 5.709147 2.314446 0.243846 26.857381 0.33609901E+03 0.73493080E+04 7.791375 6.138790 0.295565 2.131689 0.998729 23.763739 64.159896 0.666189 0.420465 -1.070295 0.099743 -0.003941 0.058729 0.115815 -0.067488 0.112491 -0.003754 0.108240 0.042854 -0.119257 -0.038546 0.157803 8.698081 8.528226 -2.293828 2.167439 8.237046 2.436957 9.328969 0.000003 139 C 0.197305 5.034555 1.144769 -0.245441 33.033521 0.47503653E+03 0.11403375E+05 8.829238 7.225195 0.092723 1.984109 0.999656 30.756445 88.966115 0.619151 0.412101 -1.068373 -0.015758 0.009304 -0.067362 0.069804 -0.014860 -0.019777 -0.000104 0.004772 -0.104706 -0.041705 0.005794 0.035912 9.618637 8.426219 -1.361575 2.464985 8.961944 3.342923 11.467747 0.000006 140 C 7.706924 5.378763 0.317725 0.008452 35.737717 0.43512162E+03 0.10191844E+05 9.476143 6.975835 -0.228741 1.933835 0.998998 27.231224 77.146360 0.623521 0.419385 -1.066487 0.026680 0.023994 0.037658 0.052016 -0.005118 0.002021 -0.014604 0.031723 -0.097308 -0.037997 0.004807 0.033190 11.487736 8.882312 -1.882986 1.369128 11.369984 6.097461 14.210911 0.000004 141 C 6.842212 6.356091 0.719432 -0.130084 34.314007 0.45534677E+03 0.10912431E+05 9.422249 7.299772 -0.247489 1.895118 0.999075 30.242724 89.987876 0.582397 0.438841 -1.042384 0.001640 0.000760 0.004822 0.005150 0.032900 -0.001728 -0.026976 0.018752 -0.069198 -0.045160 -0.005178 0.050338 11.086143 8.849687 -2.898422 -0.512280 12.239669 6.211251 12.169073 0.000004 142 C 7.507045 4.675142 30.953478 0.619579 22.771510 0.24585973E+03 0.50996860E+04 7.505692 5.630236 -0.188503 1.998173 0.999168 22.584494 64.520835 0.610735 0.483501 -1.007662 -0.009878 -0.038659 -0.059657 0.071771 0.042421 -0.032601 -0.056013 -0.043894 -0.096817 -0.064916 -0.031590 0.096506 8.850642 8.350068 -1.164250 1.138668 7.999600 3.813813 10.202259 0.000005 143 C 1.357977 9.474695 10.457796 0.629325 23.358738 0.24580955E+03 0.51189569E+04 7.733695 5.682456 -0.224636 1.981177 0.999452 22.975832 66.640267 0.597061 0.492612 -0.998939 0.021394 0.026637 0.055455 0.065135 -0.029752 -0.028314 -0.045639 -0.126016 -0.188436 -0.095169 -0.014914 0.110083 9.420564 10.466571 1.402770 1.561567 4.831170 1.171468 12.963950 -0.000004 144 C 0.689711 9.093164 9.177634 -0.010163 38.709340 0.44213552E+03 0.10395439E+05 9.994948 7.027265 -0.006023 2.006660 0.999297 27.319798 77.491063 0.621971 0.418840 -1.067057 -0.039357 0.008582 -0.044922 0.060337 -0.006952 -0.013467 -0.003795 0.036728 -0.032917 -0.020451 -0.008693 0.029145 12.633377 12.146870 2.910654 2.414364 6.158694 1.153607 19.594566 -0.000005 145 C 8.032050 8.435161 9.174121 -0.219959 36.527657 0.48530584E+03 0.11804792E+05 9.745985 7.480817 -0.172970 1.911430 0.998561 31.188937 93.177283 0.582304 0.432428 -1.047324 -0.005157 0.050499 0.017755 0.053777 0.000391 -0.036014 -0.015809 0.008569 -0.073558 -0.048692 0.008914 0.039778 11.209344 12.299938 3.137727 2.081293 6.478531 0.993666 14.849564 -0.000003 146 C 1.780039 12.658271 13.626108 0.598824 23.776692 0.25419507E+03 0.53155454E+04 7.741439 5.724821 -0.194570 1.992790 0.999128 22.878599 65.579820 0.605811 0.483491 -1.007888 -0.031777 -0.042967 -0.018001 0.056391 -0.017782 -0.005311 -0.078070 -0.038469 0.283052 -0.084520 -0.047896 0.132416 9.323142 11.073554 2.666362 0.955846 10.423392 3.583145 6.472481 0.000000 147 C 2.757988 13.701952 14.052723 0.030523 36.070698 0.42790700E+03 0.99857090E+04 9.595066 6.959050 -0.153849 1.968249 0.998876 26.804832 75.913195 0.618436 0.424406 -1.062822 0.035598 0.019827 0.005616 0.041132 -0.034647 -0.009514 -0.004981 0.024944 0.015015 -0.041308 0.006150 0.035158 11.823569 11.705294 4.988141 0.639699 12.560661 5.331845 11.204751 0.000001 148 C 3.845742 0.188001 13.245796 -0.195404 31.947386 0.45406977E+03 0.10820268E+05 8.842231 7.203066 -0.032355 1.974324 0.997682 29.792555 86.973493 0.599856 0.428493 -1.053847 -0.025276 -0.053412 0.018344 0.061873 -0.031381 0.013040 -0.002929 0.008873 0.046828 -0.040246 0.007835 0.032411 9.770271 10.093495 3.118352 -1.274008 9.817486 2.980611 9.399833 0.000001 149 C 4.682145 1.202653 13.651654 0.243847 26.857362 0.33609877E+03 0.73493012E+04 7.791371 6.138787 0.295567 2.131689 0.998729 23.763728 64.159851 0.666189 0.420465 -1.070295 0.099742 0.003942 -0.058729 0.115815 0.067487 -0.112491 -0.003754 0.108240 0.042854 -0.119257 -0.038546 0.157803 8.698075 8.528220 2.293827 -2.167437 8.237042 2.436955 9.328964 -0.000001 150 C 4.486555 1.877245 14.821331 -0.245441 33.033496 0.47503611E+03 0.11403362E+05 8.829233 7.225192 0.092724 1.984109 0.999656 30.756426 88.966040 0.619151 0.412101 -1.068373 -0.015758 -0.009303 0.067362 0.069803 0.014860 0.019778 -0.000105 0.004772 -0.104706 -0.041706 0.005794 0.035912 9.618632 8.426214 1.361574 -2.464984 8.961939 3.342921 11.467742 -0.000001 151 C 3.417674 1.533037 15.648375 0.008452 35.737698 0.43512138E+03 0.10191837E+05 9.476140 6.975833 -0.228741 1.933836 0.998998 27.231214 77.146319 0.623521 0.419385 -1.066487 0.026680 -0.023994 -0.037658 0.052016 0.005118 -0.002020 -0.014604 0.031723 -0.097307 -0.037997 0.004808 0.033189 11.487731 8.882308 1.882985 -1.369128 11.369979 6.097459 14.210907 0.000000 152 C 2.552962 0.555709 15.246668 -0.130084 34.313990 0.45534650E+03 0.10912423E+05 9.422245 7.299769 -0.247488 1.895119 0.999075 30.242712 89.987819 0.582397 0.438841 -1.042384 0.001640 -0.000760 -0.004822 0.005150 -0.032900 0.001728 -0.026977 0.018752 -0.069198 -0.045160 -0.005178 0.050338 11.086138 8.849682 2.898419 0.512279 12.239662 6.211248 12.169069 -0.000002 153 C 3.217795 2.236658 16.944822 0.619579 22.771506 0.24585967E+03 0.50996846E+04 7.505691 5.630236 -0.188503 1.998173 0.999168 22.584490 64.520820 0.610735 0.483501 -1.007662 -0.009878 0.038659 0.059657 0.071771 -0.042421 0.032601 -0.056013 -0.043894 -0.096817 -0.064916 -0.031590 0.096506 8.850641 8.350067 1.164250 -1.138667 7.999598 3.813813 10.202258 0.000001 154 C 2.931273 2.562895 21.474404 0.629325 23.358737 0.24580954E+03 0.51189566E+04 7.733694 5.682456 -0.224636 1.981177 0.999452 22.975831 66.640263 0.597061 0.492612 -0.998939 -0.021394 0.026637 -0.055455 0.065135 0.029752 -0.028314 0.045639 -0.126016 -0.188436 -0.095169 -0.014914 0.110083 9.420563 10.466571 -1.402770 1.561567 4.831170 -1.171468 12.963949 -0.000003 155 C 3.599539 2.181364 22.754566 -0.010163 38.709338 0.44213553E+03 0.10395439E+05 9.994948 7.027265 -0.006023 2.006660 0.999297 27.319798 77.491064 0.621971 0.418840 -1.067057 0.039357 0.008582 0.044922 0.060337 0.006952 -0.013467 0.003795 0.036728 -0.032917 -0.020451 -0.008693 0.029145 12.633376 12.146869 -2.910654 2.414365 6.158694 -1.153608 19.594565 -0.000004 156 C 4.835700 1.523361 22.758079 -0.219959 36.527665 0.48530586E+03 0.11804793E+05 9.745987 7.480818 -0.172971 1.911430 0.998561 31.188944 93.177320 0.582303 0.432428 -1.047323 0.005158 0.050499 -0.017755 0.053778 -0.000391 -0.036014 0.015809 0.008569 -0.073558 -0.048691 0.008914 0.039778 11.209348 12.299936 -3.137727 2.081291 6.478531 -0.993666 14.849576 -0.000001 157 C 2.509211 5.746471 18.306092 0.598824 23.776695 0.25419509E+03 0.53155461E+04 7.741439 5.724821 -0.194570 1.992790 0.999128 22.878601 65.579828 0.605811 0.483491 -1.007888 0.031777 -0.042967 0.018001 0.056391 0.017782 -0.005311 0.078070 -0.038469 0.283053 -0.084520 -0.047896 0.132416 9.323144 11.073555 -2.666363 0.955847 10.423394 -3.583146 6.472481 0.000001 158 C 1.531262 6.790152 17.879477 0.030523 36.070711 0.42790713E+03 0.99857130E+04 9.595069 6.959052 -0.153850 1.968249 0.998876 26.804837 75.913218 0.618436 0.424406 -1.062822 -0.035598 0.019826 -0.005616 0.041132 0.034647 -0.009514 0.004981 0.024944 0.015016 -0.041308 0.006150 0.035158 11.823573 11.705298 -4.988144 0.639700 12.560667 -5.331848 11.204754 0.000001 159 C 0.443508 7.099801 18.686404 -0.195404 31.947393 0.45406981E+03 0.10820269E+05 8.842232 7.203066 -0.032355 1.974324 0.997682 29.792558 86.973504 0.599856 0.428493 -1.053847 0.025276 -0.053413 -0.018344 0.061873 0.031381 0.013039 0.002929 0.008873 0.046828 -0.040246 0.007835 0.032411 9.770273 10.093498 -3.118354 -1.274007 9.817488 -2.980612 9.399834 0.000002 160 C 8.185605 8.114453 18.280546 0.243847 26.857371 0.33609887E+03 0.73493039E+04 7.791373 6.138788 0.295566 2.131689 0.998729 23.763734 64.159874 0.666189 0.420465 -1.070295 -0.099742 0.003942 0.058729 0.115815 -0.067488 -0.112491 0.003754 0.108240 0.042854 -0.119257 -0.038546 0.157803 8.698077 8.528221 -2.293829 -2.167434 8.237045 -2.436958 9.328965 0.000000 161 C 8.381194 8.789045 17.110869 -0.245441 33.033512 0.47503650E+03 0.11403374E+05 8.829237 7.225196 0.092722 1.984108 0.999656 30.756443 88.966113 0.619150 0.412101 -1.068373 0.015758 -0.009304 -0.067362 0.069804 -0.014860 0.019778 0.000104 0.004772 -0.104706 -0.041706 0.005794 0.035912 9.618636 8.426215 -1.361575 -2.464981 8.961946 -3.342925 11.467747 -0.000000 162 C 0.871576 8.444837 16.283825 0.008452 35.737718 0.43512174E+03 0.10191847E+05 9.476144 6.975836 -0.228742 1.933835 0.998998 27.231220 77.146348 0.623521 0.419385 -1.066487 -0.026680 -0.023994 0.037658 0.052016 -0.005118 -0.002021 0.014604 0.031723 -0.097307 -0.037997 0.004808 0.033189 11.487737 8.882312 -1.882986 -1.369126 11.369987 -6.097464 14.210913 0.000001 163 C 1.736288 7.467509 16.685532 -0.130084 34.313998 0.45534661E+03 0.10912426E+05 9.422247 7.299770 -0.247489 1.895118 0.999075 30.242716 89.987839 0.582397 0.438841 -1.042384 -0.001640 -0.000760 0.004822 0.005150 0.032900 0.001727 0.026976 0.018752 -0.069198 -0.045160 -0.005178 0.050338 11.086141 8.849683 -2.898420 0.512280 12.239666 -6.211251 12.169073 -0.000002 164 C 1.071455 9.148458 14.987378 0.619579 22.771507 0.24585970E+03 0.50996853E+04 7.505692 5.630236 -0.188503 1.998173 0.999168 22.584493 64.520836 0.610735 0.483501 -1.007662 0.009878 0.038659 -0.059657 0.071771 0.042421 0.032601 0.056013 -0.043894 -0.096817 -0.064916 -0.031590 0.096506 8.850642 8.350068 -1.164250 -1.138667 7.999600 -3.813813 10.202259 0.000001 165 C 1.308221 9.390371 7.983050 -0.135305 35.623730 0.44885869E+03 0.10701694E+05 9.588978 7.198031 -0.066432 1.953750 0.999540 29.942955 88.414634 0.593491 0.432862 -1.047600 -0.023172 0.004350 -0.000000 0.023576 -0.020518 -0.000000 0.000000 0.008014 -0.142042 -0.047347 0.002768 0.044579 11.571210 9.677776 1.971339 -0.000000 5.525347 0.000000 19.510505 -0.000004 166 C 7.454716 8.111688 7.983050 0.333913 28.986583 0.33051984E+03 0.72957078E+04 8.550162 6.301586 -0.088566 2.010316 0.999333 24.289072 68.881696 0.615889 0.450540 -1.037754 -0.087089 -0.013399 0.000000 0.088114 0.047973 0.000000 -0.000000 0.075864 0.005581 -0.062088 0.001860 0.060227 9.983289 11.182536 3.426316 -0.000001 6.088592 -0.000000 12.678740 -0.000001 167 C 2.981029 2.478571 23.949150 -0.135305 35.623713 0.44885848E+03 0.10701687E+05 9.588975 7.198030 -0.066432 1.953751 0.999540 29.942947 88.414605 0.593491 0.432862 -1.047600 0.023172 0.004350 0.000000 0.023576 0.020518 -0.000000 -0.000000 0.008014 -0.142042 -0.047347 0.002768 0.044580 11.571205 9.677774 -1.971339 -0.000000 5.525346 -0.000000 19.510497 -0.000002 168 C 5.413033 1.199888 23.949150 0.333913 28.986583 0.33051981E+03 0.72957072E+04 8.550163 6.301586 -0.088567 2.010316 0.999333 24.289073 68.881703 0.615889 0.450540 -1.037754 0.087089 -0.013399 0.000000 0.088114 -0.047973 0.000000 0.000000 0.075864 0.005581 -0.062088 0.001860 0.060227 9.983291 11.182528 -3.426313 -0.000001 6.088590 0.000000 12.678753 0.000001 169 C 7.270279 4.433229 23.949150 -0.135305 35.623713 0.44885848E+03 0.10701687E+05 9.588975 7.198030 -0.066432 1.953751 0.999540 29.942947 88.414604 0.593491 0.432862 -1.047600 0.023172 -0.004350 0.000000 0.023576 -0.020518 -0.000000 0.000000 0.008014 -0.142042 -0.047347 0.002768 0.044580 11.571205 9.677774 1.971338 0.000000 5.525346 0.000000 19.510497 -0.000002 170 C 1.123783 5.711912 23.949150 0.333913 28.986584 0.33051982E+03 0.72957074E+04 8.550162 6.301586 -0.088567 2.010316 0.999333 24.289073 68.881698 0.615889 0.450540 -1.037754 0.087089 0.013399 0.000000 0.088114 0.047973 0.000000 -0.000000 0.075864 0.005581 -0.062088 0.001860 0.060227 9.983290 11.182527 3.426312 0.000000 6.088590 0.000000 12.678753 0.000001 171 C 5.597471 11.345029 7.983050 -0.135305 35.623734 0.44885874E+03 0.10701695E+05 9.588978 7.198032 -0.066432 1.953750 0.999540 29.942958 88.414644 0.593491 0.432862 -1.047600 -0.023172 -0.004350 -0.000000 0.023576 0.020518 -0.000000 0.000000 0.008014 -0.142042 -0.047347 0.002768 0.044579 11.571210 9.677777 -1.971339 -0.000000 5.525347 -0.000000 19.510506 -0.000004 172 C 3.165466 12.623712 7.983050 0.333913 28.986586 0.33051987E+03 0.72957088E+04 8.550163 6.301587 -0.088566 2.010316 0.999333 24.289074 68.881706 0.615889 0.450540 -1.037754 -0.087089 0.013399 -0.000000 0.088114 -0.047973 0.000000 0.000000 0.075864 0.005581 -0.062088 0.001860 0.060227 9.983291 11.182538 -3.426317 0.000001 6.088593 -0.000001 12.678741 -0.000001 173 N 8.220777 13.444833 5.166630 0.752075 16.550787 0.18650431E+03 0.35396355E+04 5.487887 4.524234 0.186494 2.166914 0.999447 19.524934 50.019310 0.784158 0.411559 -1.070022 -0.014767 -0.017032 0.012976 0.026011 0.031914 -0.026496 -0.050104 0.052565 0.057253 -0.068211 -0.007189 0.075401 5.795147 6.046606 -1.067109 1.497394 5.471520 1.038337 5.867315 -0.000001 174 N 5.811934 1.617361 3.176615 -0.551948 20.190096 0.29858006E+03 0.62880550E+04 6.038825 5.409061 0.266442 2.210948 0.993656 24.831696 64.099107 0.791473 0.367464 -1.115846 -0.083579 -0.042980 -0.061812 0.112487 0.025293 -0.003204 0.029687 0.004522 0.026049 -0.042311 0.005334 0.036977 6.249711 6.788786 0.210735 1.610642 5.937396 -0.128286 6.022952 0.000008 175 N 4.646973 6.533033 26.765570 0.752075 16.550792 0.18650437E+03 0.35396371E+04 5.487888 4.524236 0.186493 2.166914 0.999447 19.524936 50.019318 0.784158 0.411560 -1.070022 0.014768 -0.017032 -0.012977 0.026011 -0.031914 -0.026496 0.050104 0.052565 0.057253 -0.068211 -0.007189 0.075401 5.795148 6.046608 1.067110 1.497394 5.471521 -1.038337 5.867316 -0.000001 176 N 7.055816 8.529161 28.755585 -0.551949 20.190113 0.29858041E+03 0.62880643E+04 6.038829 5.409065 0.266440 2.210947 0.993656 24.831709 64.099159 0.791473 0.367464 -1.115846 0.083579 -0.042980 0.061812 0.112487 -0.025293 -0.003204 -0.029687 0.004522 0.026049 -0.042311 0.005334 0.036977 6.249715 6.788791 -0.210735 1.610645 5.937399 0.128286 6.022956 0.000011 177 N 0.357723 0.378767 21.132730 0.752075 16.550793 0.18650439E+03 0.35396372E+04 5.487888 4.524235 0.186494 2.166914 0.999447 19.524935 50.019310 0.784158 0.411559 -1.070022 0.014767 0.017032 0.012976 0.026011 0.031914 0.026496 0.050104 0.052565 0.057253 -0.068211 -0.007189 0.075401 5.795148 6.046607 -1.067109 -1.497394 5.471521 -1.038337 5.867316 -0.000002 178 N 2.766566 12.206239 19.142715 -0.551948 20.190085 0.29857987E+03 0.62880496E+04 6.038821 5.409058 0.266443 2.210948 0.993656 24.831690 64.099075 0.791474 0.367463 -1.115847 0.083579 0.042980 -0.061812 0.112487 0.025293 0.003204 -0.029687 0.004522 0.026049 -0.042311 0.005334 0.036977 6.249707 6.788780 0.210734 -1.610640 5.937393 0.128285 6.022948 0.000003 179 N 3.931527 7.290567 10.799470 0.752075 16.550789 0.18650434E+03 0.35396361E+04 5.487888 4.524235 0.186495 2.166915 0.999447 19.524932 50.019301 0.784158 0.411560 -1.070022 -0.014767 0.017032 -0.012976 0.026010 -0.031914 0.026496 -0.050104 0.052565 0.057253 -0.068211 -0.007189 0.075401 5.795147 6.046607 1.067109 -1.497394 5.471520 1.038337 5.867315 -0.000003 180 N 1.522684 5.294439 12.789485 -0.551948 20.190069 0.29857952E+03 0.62880403E+04 6.038816 5.409054 0.266445 2.210949 0.993656 24.831677 64.099022 0.791475 0.367463 -1.115847 -0.083579 0.042979 0.061812 0.112487 -0.025293 0.003204 0.029687 0.004523 0.026048 -0.042311 0.005334 0.036976 6.249702 6.788775 -0.210734 -1.610637 5.937390 -0.128285 6.022943 0.000001 181 N 0.357723 0.378767 26.765570 0.752076 16.550788 0.18650432E+03 0.35396357E+04 5.487887 4.524235 0.186494 2.166914 0.999447 19.524933 50.019306 0.784158 0.411559 -1.070022 0.014768 0.017032 -0.012977 0.026011 0.031914 -0.026496 -0.050104 0.052565 0.057253 -0.068211 -0.007189 0.075401 5.795147 6.046606 -1.067109 1.497394 5.471520 1.038337 5.867315 -0.000001 182 N 2.766566 12.206239 28.755585 -0.551949 20.190113 0.29858041E+03 0.62880646E+04 6.038829 5.409065 0.266440 2.210947 0.993656 24.831709 64.099162 0.791473 0.367464 -1.115846 0.083579 0.042980 0.061812 0.112487 0.025293 -0.003204 0.029687 0.004522 0.026049 -0.042311 0.005334 0.036977 6.249716 6.788792 0.210735 1.610645 5.937400 -0.128285 6.022957 0.000011 183 N 3.931527 7.290567 5.166630 0.752076 16.550785 0.18650428E+03 0.35396349E+04 5.487887 4.524234 0.186494 2.166914 0.999447 19.524931 50.019299 0.784158 0.411559 -1.070022 -0.014767 0.017032 0.012976 0.026011 -0.031914 -0.026496 0.050104 0.052565 0.057253 -0.068211 -0.007189 0.075401 5.795146 6.046605 1.067109 1.497394 5.471519 -1.038337 5.867314 -0.000001 184 N 1.522684 5.294439 3.176615 -0.551948 20.190098 0.29858009E+03 0.62880559E+04 6.038825 5.409061 0.266442 2.210948 0.993656 24.831697 64.099110 0.791473 0.367463 -1.115846 -0.083579 0.042980 -0.061812 0.112487 -0.025293 -0.003204 -0.029687 0.004523 0.026049 -0.042311 0.005334 0.036977 6.249711 6.788786 -0.210735 1.610642 5.937396 0.128286 6.022952 0.000008 185 N 8.220777 13.444833 10.799470 0.752076 16.550785 0.18650427E+03 0.35396345E+04 5.487886 4.524234 0.186496 2.166915 0.999447 19.524929 50.019288 0.784159 0.411559 -1.070022 -0.014767 -0.017032 -0.012976 0.026010 0.031914 0.026496 0.050104 0.052565 0.057253 -0.068211 -0.007189 0.075401 5.795146 6.046605 -1.067109 -1.497394 5.471518 -1.038337 5.867313 -0.000003 186 N 5.811934 1.617361 12.789485 -0.551948 20.190071 0.29857957E+03 0.62880414E+04 6.038817 5.409054 0.266445 2.210949 0.993656 24.831679 64.099028 0.791475 0.367463 -1.115847 -0.083579 -0.042979 0.061812 0.112487 0.025293 0.003204 -0.029687 0.004523 0.026048 -0.042311 0.005334 0.036976 6.249703 6.788775 0.210734 -1.610638 5.937390 0.128285 6.022943 0.000001 187 N 4.646973 6.533033 21.132730 0.752076 16.550788 0.18650432E+03 0.35396356E+04 5.487887 4.524235 0.186495 2.166914 0.999447 19.524931 50.019298 0.784158 0.411559 -1.070022 0.014767 -0.017032 0.012976 0.026011 -0.031914 0.026496 -0.050104 0.052565 0.057253 -0.068211 -0.007189 0.075401 5.795147 6.046606 1.067109 -1.497394 5.471520 1.038337 5.867314 -0.000003 188 N 7.055816 8.529161 19.142715 -0.551948 20.190086 0.29857989E+03 0.62880501E+04 6.038821 5.409058 0.266443 2.210948 0.993656 24.831690 64.099075 0.791474 0.367463 -1.115847 0.083579 -0.042980 -0.061812 0.112487 -0.025293 0.003204 0.029687 0.004523 0.026049 -0.042311 0.005334 0.036977 6.249707 6.788781 -0.210735 -1.610640 5.937393 -0.128285 6.022948 0.000003 189 N 6.195393 7.374891 7.983050 -0.753944 37.303994 0.58398909E+03 0.14680598E+05 9.464982 7.879519 -0.388481 1.850566 0.997698 33.570858 97.604711 0.611141 0.398681 -1.083188 0.051369 0.094436 0.000000 0.107504 0.151962 0.000000 -0.000000 0.201546 0.256912 -0.225158 0.085637 0.139521 10.222521 13.403838 4.025419 -0.000001 7.367067 -0.000001 9.896657 0.000020 190 N 6.672357 0.463091 23.949150 -0.753943 37.303992 0.58398925E+03 0.14680603E+05 9.464982 7.879520 -0.388482 1.850566 0.997698 33.570858 97.604717 0.611141 0.398681 -1.083188 -0.051369 0.094436 -0.000000 0.107504 -0.151962 -0.000000 -0.000000 0.201547 0.256912 -0.225158 0.085637 0.139521 10.222520 13.403836 -4.025416 -0.000001 7.367065 0.000001 9.896659 0.000025 191 N 2.383107 6.448709 23.949150 -0.753943 37.303986 0.58398916E+03 0.14680600E+05 9.464980 7.879519 -0.388482 1.850566 0.997698 33.570856 97.604699 0.611141 0.398681 -1.083188 -0.051369 -0.094436 0.000000 0.107504 0.151962 -0.000000 0.000000 0.201547 0.256912 -0.225158 0.085637 0.139521 10.222518 13.403833 4.025415 0.000000 7.367064 0.000000 9.896657 0.000025 192 N 1.906143 13.360509 7.983050 -0.753944 37.304007 0.58398930E+03 0.14680605E+05 9.464985 7.879521 -0.388482 1.850566 0.997698 33.570864 97.604743 0.611140 0.398681 -1.083188 0.051369 -0.094436 -0.000000 0.107504 -0.151962 0.000000 0.000000 0.201547 0.256913 -0.225159 0.085638 0.139521 10.222524 13.403844 -4.025421 0.000002 7.367069 -0.000001 9.896660 0.000020 193 O 2.122321 11.651912 3.035156 -0.689263 50.594052 0.84212506E+03 0.22708943E+05 11.015798 9.164732 -0.190682 1.936611 0.996085 31.498782 88.468755 0.607284 0.374019 -1.124342 -0.014123 0.067093 0.009737 0.069251 -0.028170 0.017464 0.014448 -0.108010 0.241572 -0.103445 0.019145 0.084300 12.618882 10.650155 -1.288309 0.295823 16.114614 -5.711403 11.091877 0.000001 194 O 0.564465 12.837977 2.028014 -0.626020 38.155375 0.60487226E+03 0.14957729E+05 8.941573 7.584536 0.368570 2.135985 0.998751 29.043363 77.128206 0.694510 0.356636 -1.142236 0.026713 0.000176 -0.030519 0.040559 -0.024667 0.021608 0.065309 0.113215 0.081806 -0.109605 0.045173 0.064432 9.943146 16.056905 1.023594 0.369613 7.303025 -1.048245 6.469507 0.000005 195 O 0.687996 9.400048 4.421332 -0.751065 53.605468 0.88346863E+03 0.24087663E+05 11.380152 9.327196 -0.208610 1.928566 0.995847 32.212363 90.685324 0.608359 0.369269 -1.129034 0.018669 -0.056214 0.066545 0.089089 -0.010032 0.056966 0.041290 -0.073356 0.038686 -0.086918 0.014226 0.072692 13.264454 12.055557 -0.017696 3.930331 7.991000 -0.003710 19.746806 0.000001 196 O 2.543525 9.836874 5.539598 -0.605130 41.220386 0.65856465E+03 0.16680911E+05 9.590276 8.075309 -0.049922 2.030357 0.993170 28.702097 77.832793 0.651229 0.371322 -1.127687 -0.026670 0.023354 0.071872 0.080140 -0.016225 0.012925 0.012358 -0.048787 -0.252579 -0.087150 0.015326 0.071824 10.848102 16.504899 2.227431 -2.091860 6.845391 -0.091794 9.194017 -0.000005 197 O 4.117680 3.060545 30.590728 -0.658905 44.133874 0.69961195E+03 0.17990901E+05 10.013726 8.297412 0.019825 2.025970 0.995965 29.894061 81.686912 0.645433 0.369028 -1.129411 -0.040048 -0.018368 0.032847 0.054956 -0.004202 -0.047493 0.032278 -0.026239 -0.155846 -0.082968 0.022819 0.060149 11.513682 11.871442 4.401323 -3.205575 12.554086 -4.411905 10.115519 0.000003 198 O 2.205532 1.947745 30.273642 -0.641103 45.407004 0.70575202E+03 0.18185895E+05 10.188794 8.351069 -0.021647 2.020456 0.995185 29.578725 80.870170 0.641446 0.370564 -1.128400 0.039247 -0.009892 0.036373 0.054416 -0.012202 0.007107 0.064526 0.031984 -0.087097 -0.082775 0.030801 0.051974 11.497718 15.118292 -0.800556 5.546369 7.794625 -1.377118 11.580238 0.000004 199 O 7.320892 13.385392 4.290730 -0.592955 38.215642 0.64412888E+03 0.16177570E+05 9.032124 7.977380 0.281593 2.128179 0.994691 28.618090 76.539621 0.658243 0.370492 -1.131635 -0.006367 0.003192 0.046569 0.047110 0.057242 0.082332 -0.045057 0.175601 0.175898 -0.156725 0.015510 0.141215 9.612744 11.111867 -0.676513 4.112170 7.306388 -0.522405 10.419976 0.000002 200 O 0.513852 12.575329 5.227301 -0.433879 29.842655 0.48390183E+03 0.11294093E+05 7.633897 6.900417 0.602269 2.297477 0.992438 25.379724 65.045997 0.711193 0.368999 -1.134847 0.020495 0.009118 0.064146 0.067955 -0.078122 -0.053148 -0.069840 0.021475 -0.204543 -0.144896 0.031692 0.113204 7.964968 9.737831 -2.816157 0.754010 7.682418 -0.178517 6.474654 -0.000006 201 O 8.181315 0.533591 6.025606 -0.456030 25.249402 0.38997776E+03 0.86425666E+04 6.698895 6.060154 0.775286 2.308950 0.998978 26.019011 65.439996 0.782608 0.353150 -1.144895 0.009368 -0.071387 0.049586 0.087422 0.067725 -0.050773 0.104485 -0.119531 0.278077 -0.170263 0.005410 0.164853 6.751833 4.946797 -0.072291 0.552279 7.480892 2.500637 7.827812 0.000004 202 O 2.166929 4.740112 28.897044 -0.689263 50.594052 0.84212500E+03 0.22708941E+05 11.015799 9.164732 -0.190682 1.936611 0.996085 31.498781 88.468752 0.607284 0.374019 -1.124342 0.014123 0.067093 -0.009737 0.069251 0.028170 0.017464 -0.014448 -0.108010 0.241572 -0.103445 0.019145 0.084300 12.618883 10.650155 1.288309 0.295823 16.114617 5.711404 11.091877 0.000002 203 O 3.724785 5.926177 29.904186 -0.626020 38.155389 0.60487251E+03 0.14957737E+05 8.941575 7.584537 0.368569 2.135985 0.998751 29.043367 77.128223 0.694510 0.356636 -1.142236 -0.026713 0.000175 0.030519 0.040559 0.024667 0.021608 -0.065309 0.113215 0.081807 -0.109605 0.045173 0.064432 9.943149 16.056911 -1.023595 0.369613 7.303028 1.048245 6.469508 0.000006 204 O 3.601254 2.488248 27.510868 -0.751065 53.605472 0.88346870E+03 0.24087665E+05 11.380152 9.327197 -0.208610 1.928566 0.995847 32.212364 90.685327 0.608359 0.369269 -1.129034 -0.018669 -0.056214 -0.066545 0.089089 0.010032 0.056966 -0.041290 -0.073356 0.038686 -0.086918 0.014226 0.072692 13.264455 12.055558 0.017696 3.930330 7.991000 0.003710 19.746806 0.000002 205 O 1.745725 2.925074 26.392602 -0.605130 41.220380 0.65856453E+03 0.16680908E+05 9.590275 8.075308 -0.049922 2.030357 0.993170 28.702095 77.832783 0.651229 0.371322 -1.127687 0.026670 0.023354 -0.071873 0.080140 0.016225 0.012925 -0.012358 -0.048787 -0.252579 -0.087150 0.015326 0.071824 10.848100 16.504896 -2.227431 -2.091860 6.845390 0.091794 9.194015 -0.000004 206 O 0.171570 9.972345 1.341472 -0.658905 44.133889 0.69961220E+03 0.17990909E+05 10.013729 8.297414 0.019824 2.025970 0.995965 29.894064 81.686929 0.645433 0.369028 -1.129411 0.040048 -0.018368 -0.032847 0.054956 0.004202 -0.047493 -0.032278 -0.026239 -0.155846 -0.082968 0.022819 0.060149 11.513687 11.871446 -4.401325 -3.205576 12.554090 4.411908 10.115524 0.000003 207 O 2.083718 8.859545 1.658558 -0.641103 45.407005 0.70575205E+03 0.18185896E+05 10.188795 8.351069 -0.021648 2.020456 0.995185 29.578725 80.870173 0.641446 0.370564 -1.128400 -0.039247 -0.009892 -0.036373 0.054416 0.012202 0.007107 -0.064526 0.031984 -0.087098 -0.082775 0.030801 0.051974 11.497719 15.118293 0.800556 5.546369 7.794625 1.377119 11.580239 0.000004 208 O 5.546858 6.473592 27.641470 -0.592955 38.215658 0.64412926E+03 0.16177582E+05 9.032126 7.977382 0.281593 2.128179 0.994691 28.618098 76.539649 0.658243 0.370492 -1.131635 0.006367 0.003192 -0.046569 0.047110 -0.057242 0.082332 0.045057 0.175602 0.175898 -0.156725 0.015510 0.141215 9.612746 11.111870 0.676514 4.112170 7.306390 0.522406 10.419978 0.000003 209 O 3.775398 5.663529 26.704899 -0.433879 29.842652 0.48390177E+03 0.11294092E+05 7.633897 6.900417 0.602268 2.297477 0.992438 25.379722 65.045992 0.711193 0.368999 -1.134847 -0.020495 0.009118 -0.064146 0.067955 0.078122 -0.053148 0.069840 0.021475 -0.204542 -0.144896 0.031692 0.113204 7.964967 9.737831 2.816156 0.754011 7.682417 0.178518 6.474654 -0.000005 210 O 4.686435 7.445391 25.906594 -0.456030 25.249347 0.38997668E+03 0.86425360E+04 6.698882 6.060142 0.775287 2.308950 0.998978 26.019001 65.439930 0.782610 0.353149 -1.144895 -0.009367 -0.071388 -0.049586 0.087423 -0.067725 -0.050773 -0.104486 -0.119531 0.278076 -0.170263 0.005410 0.164853 6.751820 4.946787 0.072291 0.552277 7.480877 -2.500631 7.827796 0.000010 211 O 6.456179 2.171688 19.001256 -0.689263 50.594059 0.84212520E+03 0.22708948E+05 11.015800 9.164733 -0.190682 1.936611 0.996085 31.498784 88.468763 0.607284 0.374019 -1.124342 0.014123 -0.067093 0.009737 0.069252 -0.028170 -0.017464 -0.014448 -0.108010 0.241572 -0.103445 0.019145 0.084300 12.618884 10.650156 -1.288309 -0.295823 16.114616 5.711404 11.091879 -0.000002 212 O 8.014035 0.985623 17.994114 -0.626019 38.155353 0.60487183E+03 0.14957716E+05 8.941569 7.584532 0.368570 2.135985 0.998751 29.043357 77.128177 0.694510 0.356636 -1.142236 -0.026713 -0.000176 -0.030519 0.040559 -0.024667 -0.021608 -0.065309 0.113214 0.081807 -0.109605 0.045173 0.064432 9.943141 16.056896 1.023592 -0.369614 7.303021 1.048244 6.469504 -0.000002 213 O 7.890504 4.423552 20.387432 -0.751065 53.605483 0.88346891E+03 0.24087673E+05 11.380154 9.327198 -0.208610 1.928566 0.995847 32.212368 90.685343 0.608359 0.369269 -1.129034 -0.018669 0.056214 0.066546 0.089089 -0.010032 -0.056966 -0.041290 -0.073356 0.038686 -0.086918 0.014226 0.072692 13.264457 12.055560 -0.017696 -3.930332 7.991001 0.003710 19.746810 -0.000002 214 O 6.034975 3.986726 21.505698 -0.605130 41.220393 0.65856477E+03 0.16680915E+05 9.590277 8.075310 -0.049922 2.030357 0.993170 28.702100 77.832802 0.651229 0.371322 -1.127687 0.026670 -0.023354 0.071873 0.080140 -0.016225 -0.012925 -0.012358 -0.048787 -0.252579 -0.087150 0.015326 0.071824 10.848103 16.504900 2.227432 2.091860 6.845391 0.091794 9.194017 -0.000006 215 O 4.460820 10.763055 14.624628 -0.658904 44.133876 0.69961197E+03 0.17990901E+05 10.013727 8.297412 0.019825 2.025970 0.995965 29.894061 81.686915 0.645433 0.369028 -1.129411 0.040048 0.018368 0.032847 0.054956 -0.004202 0.047493 -0.032278 -0.026239 -0.155846 -0.082968 0.022819 0.060149 11.513683 11.871443 4.401323 3.205576 12.554085 4.411906 10.115521 -0.000002 216 O 6.372968 11.875855 14.307542 -0.641103 45.407006 0.70575208E+03 0.18185897E+05 10.188794 8.351069 -0.021647 2.020456 0.995185 29.578727 80.870175 0.641446 0.370564 -1.128400 -0.039247 0.009892 0.036373 0.054416 -0.012202 -0.007107 -0.064526 0.031984 -0.087098 -0.082775 0.030801 0.051974 11.497718 15.118291 -0.800556 -5.546368 7.794625 1.377119 11.580239 -0.000001 217 O 1.257608 0.438208 20.256830 -0.592954 38.215632 0.64412871E+03 0.16177564E+05 9.032121 7.977378 0.281593 2.128179 0.994691 28.618090 76.539612 0.658244 0.370492 -1.131635 0.006367 -0.003192 0.046569 0.047110 0.057242 -0.082332 0.045057 0.175601 0.175898 -0.156725 0.015510 0.141215 9.612740 11.111863 -0.676513 -4.112168 7.306385 0.522406 10.419972 -0.000001 218 O 8.064648 1.248271 21.193401 -0.433879 29.842649 0.48390172E+03 0.11294090E+05 7.633896 6.900417 0.602268 2.297477 0.992438 25.379721 65.045989 0.711193 0.368999 -1.134847 -0.020495 -0.009118 0.064146 0.067955 -0.078122 0.053148 0.069840 0.021475 -0.204542 -0.144896 0.031692 0.113204 7.964967 9.737830 -2.816156 -0.754011 7.682416 0.178517 6.474653 -0.000007 219 O 0.397185 13.290009 21.991706 -0.456030 25.249329 0.38997632E+03 0.86425258E+04 6.698878 6.060139 0.775287 2.308950 0.998978 26.018994 65.439901 0.782610 0.353149 -1.144895 -0.009367 0.071387 0.049586 0.087422 0.067725 0.050773 -0.104486 -0.119532 0.278076 -0.170263 0.005410 0.164853 6.751816 4.946785 -0.072291 -0.552277 7.480873 -2.500630 7.827791 0.000004 220 O 6.411571 9.083488 12.930944 -0.689263 50.594061 0.84212529E+03 0.22708951E+05 11.015799 9.164733 -0.190682 1.936611 0.996085 31.498786 88.468767 0.607284 0.374019 -1.124342 -0.014123 -0.067093 -0.009737 0.069252 0.028170 -0.017464 0.014448 -0.108010 0.241572 -0.103445 0.019145 0.084300 12.618883 10.650156 1.288309 -0.295823 16.114614 -5.711403 11.091878 -0.000002 221 O 4.853715 7.897423 13.938086 -0.626019 38.155338 0.60487157E+03 0.14957708E+05 8.941566 7.584530 0.368571 2.135986 0.998751 29.043352 77.128159 0.694510 0.356636 -1.142236 0.026713 -0.000176 0.030519 0.040559 0.024667 -0.021608 0.065309 0.113214 0.081806 -0.109605 0.045173 0.064432 9.943138 16.056891 -1.023591 -0.369614 7.303020 -1.048244 6.469503 -0.000002 222 O 4.977246 11.335352 11.544768 -0.751065 53.605480 0.88346884E+03 0.24087671E+05 11.380153 9.327198 -0.208610 1.928566 0.995847 32.212367 90.685340 0.608359 0.369269 -1.129034 0.018669 0.056214 -0.066545 0.089089 0.010032 -0.056966 0.041290 -0.073356 0.038686 -0.086918 0.014226 0.072692 13.264457 12.055560 0.017696 -3.930332 7.991000 -0.003710 19.746811 -0.000003 223 O 6.832775 10.898526 10.426502 -0.605130 41.220399 0.65856488E+03 0.16680919E+05 9.590278 8.075310 -0.049922 2.030357 0.993170 28.702102 77.832811 0.651229 0.371322 -1.127687 -0.026670 -0.023354 -0.071873 0.080140 0.016225 -0.012925 0.012358 -0.048787 -0.252579 -0.087150 0.015326 0.071824 10.848104 16.504903 -2.227432 2.091861 6.845392 -0.091795 9.194019 -0.000007 224 O 8.406930 3.851255 17.307572 -0.658904 44.133863 0.69961176E+03 0.17990894E+05 10.013724 8.297410 0.019825 2.025970 0.995965 29.894059 81.686900 0.645433 0.369028 -1.129411 -0.040048 0.018368 -0.032847 0.054956 0.004202 0.047493 0.032278 -0.026239 -0.155846 -0.082968 0.022819 0.060149 11.513679 11.871439 -4.401322 3.205574 12.554081 -4.411903 10.115517 -0.000002 225 O 6.494782 4.964055 17.624658 -0.641103 45.407005 0.70575207E+03 0.18185896E+05 10.188794 8.351069 -0.021647 2.020456 0.995185 29.578727 80.870173 0.641446 0.370564 -1.128400 0.039247 0.009892 -0.036373 0.054416 0.012202 -0.007107 0.064526 0.031984 -0.087097 -0.082775 0.030801 0.051974 11.497718 15.118290 0.800555 -5.546368 7.794625 -1.377118 11.580238 -0.000001 226 O 3.031642 7.350008 11.675370 -0.592954 38.215614 0.64412832E+03 0.16177552E+05 9.032118 7.977375 0.281594 2.128179 0.994691 28.618083 76.539585 0.658244 0.370492 -1.131635 -0.006367 -0.003193 -0.046569 0.047110 -0.057242 -0.082332 -0.045057 0.175601 0.175897 -0.156725 0.015510 0.141215 9.612737 11.111859 0.676512 -4.112167 7.306383 -0.522405 10.419968 -0.000002 227 O 4.803102 8.160071 10.738799 -0.433879 29.842651 0.48390178E+03 0.11294092E+05 7.633896 6.900417 0.602269 2.297477 0.992438 25.379724 65.045995 0.711193 0.368999 -1.134847 0.020495 -0.009118 -0.064146 0.067955 0.078122 0.053148 -0.069840 0.021475 -0.204543 -0.144896 0.031692 0.113204 7.964966 9.737829 2.816155 -0.754011 7.682416 -0.178517 6.474653 -0.000009 228 O 3.892065 6.378209 9.940494 -0.456029 25.249333 0.38997640E+03 0.86425284E+04 6.698880 6.060140 0.775289 2.308951 0.998978 26.018991 65.439899 0.782610 0.353149 -1.144895 0.009368 0.071387 -0.049585 0.087422 -0.067725 0.050773 0.104486 -0.119531 0.278076 -0.170263 0.005410 0.164853 6.751818 4.946786 0.072291 -0.552277 7.480875 2.500630 7.827793 -0.000002 229 O 6.456179 2.171688 28.897044 -0.689263 50.594052 0.84212500E+03 0.22708941E+05 11.015799 9.164732 -0.190682 1.936611 0.996085 31.498781 88.468752 0.607284 0.374019 -1.124342 0.014123 -0.067093 -0.009737 0.069251 -0.028170 0.017464 0.014448 -0.108010 0.241572 -0.103445 0.019145 0.084300 12.618883 10.650155 -1.288309 0.295823 16.114617 -5.711404 11.091877 0.000002 230 O 8.014035 0.985623 29.904186 -0.626020 38.155387 0.60487249E+03 0.14957736E+05 8.941575 7.584537 0.368569 2.135985 0.998751 29.043367 77.128222 0.694510 0.356636 -1.142236 -0.026713 -0.000175 0.030519 0.040559 -0.024667 0.021608 0.065309 0.113215 0.081807 -0.109605 0.045173 0.064432 9.943149 16.056910 1.023595 0.369613 7.303027 -1.048245 6.469508 0.000006 231 O 7.890504 4.423552 27.510868 -0.751065 53.605472 0.88346871E+03 0.24087666E+05 11.380152 9.327197 -0.208610 1.928566 0.995847 32.212364 90.685330 0.608359 0.369269 -1.129034 -0.018669 0.056214 -0.066545 0.089089 -0.010032 0.056966 0.041290 -0.073356 0.038686 -0.086918 0.014226 0.072692 13.264455 12.055558 -0.017696 3.930331 7.991001 -0.003710 19.746807 0.000002 232 O 6.034975 3.986726 26.392602 -0.605130 41.220381 0.65856454E+03 0.16680908E+05 9.590275 8.075308 -0.049922 2.030357 0.993170 28.702095 77.832785 0.651229 0.371322 -1.127687 0.026670 -0.023354 -0.071873 0.080140 -0.016225 0.012925 0.012358 -0.048787 -0.252579 -0.087150 0.015326 0.071824 10.848101 16.504897 2.227431 -2.091860 6.845390 -0.091794 9.194015 -0.000004 233 O 4.460820 10.763055 1.341472 -0.658905 44.133890 0.69961223E+03 0.17990910E+05 10.013730 8.297414 0.019824 2.025970 0.995965 29.894064 81.686931 0.645433 0.369028 -1.129411 0.040048 0.018368 -0.032847 0.054956 -0.004202 -0.047493 0.032278 -0.026239 -0.155846 -0.082968 0.022819 0.060149 11.513687 11.871447 4.401325 -3.205577 12.554090 -4.411908 10.115524 0.000003 234 O 6.372968 11.875855 1.658558 -0.641103 45.407003 0.70575200E+03 0.18185894E+05 10.188794 8.351069 -0.021648 2.020456 0.995185 29.578724 80.870170 0.641446 0.370564 -1.128400 -0.039247 0.009892 -0.036373 0.054416 -0.012202 0.007107 0.064526 0.031984 -0.087098 -0.082775 0.030801 0.051974 11.497719 15.118292 -0.800556 5.546369 7.794625 -1.377119 11.580239 0.000004 235 O 1.257608 0.438208 27.641470 -0.592955 38.215652 0.64412913E+03 0.16177578E+05 9.032125 7.977381 0.281593 2.128179 0.994691 28.618096 76.539638 0.658243 0.370492 -1.131635 0.006367 -0.003192 -0.046569 0.047110 0.057242 0.082332 -0.045057 0.175601 0.175898 -0.156725 0.015510 0.141215 9.612744 11.111868 -0.676513 4.112170 7.306389 -0.522406 10.419976 0.000003 236 O 8.064648 1.248271 26.704899 -0.433879 29.842652 0.48390178E+03 0.11294092E+05 7.633897 6.900417 0.602268 2.297477 0.992438 25.379722 65.045992 0.711193 0.368999 -1.134847 -0.020495 -0.009118 -0.064146 0.067955 -0.078122 -0.053148 -0.069840 0.021475 -0.204542 -0.144896 0.031692 0.113204 7.964967 9.737830 -2.816156 0.754010 7.682418 -0.178517 6.474654 -0.000005 237 O 0.397185 13.290009 25.906594 -0.456031 25.249373 0.38997719E+03 0.86425505E+04 6.698888 6.060147 0.775286 2.308950 0.998978 26.019009 65.439968 0.782609 0.353149 -1.144895 -0.009367 0.071388 -0.049586 0.087423 0.067725 -0.050773 0.104485 -0.119531 0.278077 -0.170263 0.005410 0.164853 6.751826 4.946791 -0.072291 0.552278 7.480884 2.500634 7.827803 0.000010 238 O 6.411571 9.083488 3.035156 -0.689263 50.594052 0.84212506E+03 0.22708943E+05 11.015798 9.164732 -0.190682 1.936611 0.996085 31.498782 88.468755 0.607284 0.374019 -1.124342 -0.014123 -0.067093 0.009737 0.069251 0.028170 0.017464 -0.014448 -0.108010 0.241572 -0.103445 0.019145 0.084300 12.618882 10.650155 1.288309 0.295823 16.114615 5.711403 11.091877 0.000001 239 O 4.853715 7.897423 2.028014 -0.626020 38.155375 0.60487226E+03 0.14957729E+05 8.941573 7.584535 0.368570 2.135985 0.998751 29.043364 77.128207 0.694510 0.356636 -1.142236 0.026713 -0.000176 -0.030519 0.040559 0.024667 0.021608 -0.065309 0.113215 0.081806 -0.109605 0.045173 0.064432 9.943146 16.056905 -1.023594 0.369613 7.303025 1.048245 6.469507 0.000005 240 O 4.977246 11.335352 4.421332 -0.751065 53.605469 0.88346863E+03 0.24087663E+05 11.380152 9.327196 -0.208610 1.928566 0.995847 32.212363 90.685324 0.608359 0.369269 -1.129034 0.018669 0.056214 0.066545 0.089089 0.010032 0.056966 -0.041290 -0.073356 0.038686 -0.086918 0.014226 0.072692 13.264454 12.055558 0.017696 3.930331 7.991000 0.003710 19.746806 0.000001 241 O 6.832775 10.898526 5.539598 -0.605130 41.220388 0.65856468E+03 0.16680913E+05 9.590276 8.075309 -0.049922 2.030357 0.993170 28.702098 77.832795 0.651229 0.371322 -1.127687 -0.026670 -0.023354 0.071872 0.080140 0.016225 0.012925 -0.012358 -0.048787 -0.252579 -0.087150 0.015326 0.071824 10.848102 16.504899 -2.227431 -2.091860 6.845391 0.091795 9.194017 -0.000005 242 O 8.406930 3.851255 30.590728 -0.658905 44.133874 0.69961195E+03 0.17990901E+05 10.013726 8.297412 0.019825 2.025970 0.995965 29.894061 81.686912 0.645433 0.369028 -1.129411 -0.040048 0.018368 0.032847 0.054956 0.004202 -0.047493 -0.032278 -0.026239 -0.155846 -0.082968 0.022819 0.060149 11.513682 11.871442 -4.401323 -3.205575 12.554086 4.411905 10.115519 0.000003 243 O 6.494782 4.964055 30.273642 -0.641103 45.407004 0.70575202E+03 0.18185895E+05 10.188794 8.351069 -0.021647 2.020456 0.995185 29.578725 80.870170 0.641446 0.370564 -1.128400 0.039247 0.009892 0.036373 0.054416 0.012202 0.007107 -0.064526 0.031984 -0.087097 -0.082775 0.030801 0.051974 11.497718 15.118292 0.800556 5.546369 7.794625 1.377119 11.580238 0.000004 244 O 3.031642 7.350008 4.290730 -0.592955 38.215637 0.64412879E+03 0.16177567E+05 9.032122 7.977379 0.281593 2.128179 0.994691 28.618090 76.539615 0.658244 0.370492 -1.131635 -0.006367 -0.003192 0.046569 0.047110 -0.057242 0.082332 0.045057 0.175601 0.175898 -0.156725 0.015510 0.141215 9.612742 11.111865 0.676513 4.112169 7.306387 0.522405 10.419974 0.000002 245 O 4.803102 8.160071 5.227301 -0.433879 29.842655 0.48390184E+03 0.11294094E+05 7.633897 6.900417 0.602268 2.297477 0.992438 25.379724 65.045999 0.711193 0.368999 -1.134847 0.020495 -0.009118 0.064146 0.067955 0.078122 -0.053148 0.069840 0.021475 -0.204543 -0.144896 0.031692 0.113204 7.964968 9.737831 2.816157 0.754010 7.682418 0.178517 6.474654 -0.000006 246 O 3.892065 6.378209 6.025606 -0.456031 25.249379 0.38997731E+03 0.86425537E+04 6.698889 6.060149 0.775287 2.308950 0.998978 26.019007 65.439968 0.782609 0.353149 -1.144895 0.009368 0.071387 0.049586 0.087422 -0.067725 -0.050773 -0.104485 -0.119531 0.278076 -0.170263 0.005410 0.164853 6.751828 4.946793 0.072291 0.552278 7.480886 -2.500635 7.827805 0.000004 247 O 2.122321 11.651912 12.930944 -0.689263 50.594058 0.84212524E+03 0.22708949E+05 11.015799 9.164733 -0.190682 1.936611 0.996085 31.498785 88.468765 0.607284 0.374019 -1.124342 -0.014123 0.067093 -0.009737 0.069252 -0.028170 -0.017464 -0.014448 -0.108010 0.241572 -0.103445 0.019145 0.084300 12.618883 10.650156 -1.288309 -0.295823 16.114614 5.711403 11.091878 -0.000002 248 O 0.564465 12.837977 13.938086 -0.626019 38.155341 0.60487162E+03 0.14957709E+05 8.941566 7.584530 0.368571 2.135985 0.998751 29.043354 77.128163 0.694510 0.356636 -1.142236 0.026713 0.000176 0.030519 0.040559 -0.024667 -0.021608 -0.065309 0.113214 0.081806 -0.109605 0.045173 0.064432 9.943138 16.056891 1.023591 -0.369614 7.303019 1.048244 6.469503 -0.000002 249 O 0.687996 9.400048 11.544768 -0.751065 53.605481 0.88346886E+03 0.24087671E+05 11.380154 9.327198 -0.208610 1.928566 0.995847 32.212367 90.685341 0.608359 0.369269 -1.129034 0.018669 -0.056214 -0.066545 0.089089 -0.010032 -0.056966 -0.041290 -0.073356 0.038686 -0.086918 0.014226 0.072692 13.264457 12.055560 -0.017696 -3.930332 7.991001 0.003710 19.746810 -0.000003 250 O 2.543525 9.836874 10.426502 -0.605130 41.220399 0.65856488E+03 0.16680919E+05 9.590278 8.075310 -0.049922 2.030357 0.993170 28.702102 77.832811 0.651229 0.371322 -1.127687 -0.026670 0.023354 -0.071873 0.080140 -0.016225 -0.012925 -0.012358 -0.048787 -0.252579 -0.087150 0.015326 0.071824 10.848104 16.504902 2.227432 2.091861 6.845392 0.091795 9.194019 -0.000007 251 O 4.117680 3.060545 17.307572 -0.658905 44.133863 0.69961177E+03 0.17990895E+05 10.013724 8.297410 0.019825 2.025970 0.995965 29.894059 81.686901 0.645433 0.369028 -1.129411 -0.040048 -0.018368 -0.032847 0.054956 -0.004202 0.047493 -0.032278 -0.026239 -0.155846 -0.082968 0.022819 0.060149 11.513680 11.871440 4.401322 3.205574 12.554082 4.411904 10.115517 -0.000002 252 O 2.205532 1.947745 17.624658 -0.641103 45.407003 0.70575203E+03 0.18185895E+05 10.188794 8.351069 -0.021647 2.020456 0.995185 29.578726 80.870171 0.641446 0.370564 -1.128400 0.039247 -0.009892 -0.036373 0.054416 -0.012202 -0.007107 -0.064526 0.031985 -0.087097 -0.082775 0.030801 0.051974 11.497718 15.118290 -0.800555 -5.546368 7.794625 1.377119 11.580238 -0.000001 253 O 7.320892 13.385392 11.675370 -0.592954 38.215612 0.64412826E+03 0.16177550E+05 9.032118 7.977375 0.281594 2.128179 0.994691 28.618082 76.539579 0.658244 0.370492 -1.131635 -0.006367 0.003193 -0.046569 0.047110 0.057242 -0.082332 0.045057 0.175601 0.175897 -0.156725 0.015510 0.141215 9.612736 11.111859 -0.676512 -4.112166 7.306382 0.522405 10.419968 -0.000002 254 O 0.513852 12.575329 10.738799 -0.433879 29.842653 0.48390182E+03 0.11294093E+05 7.633897 6.900417 0.602269 2.297477 0.992438 25.379724 65.045997 0.711193 0.368999 -1.134847 0.020495 0.009118 -0.064146 0.067955 -0.078122 0.053148 0.069840 0.021474 -0.204543 -0.144896 0.031692 0.113204 7.964967 9.737830 -2.816156 -0.754010 7.682417 0.178517 6.474654 -0.000009 255 O 8.181315 0.533591 9.940494 -0.456031 25.249364 0.38997702E+03 0.86425457E+04 6.698887 6.060147 0.775288 2.308950 0.998978 26.018999 65.439940 0.782609 0.353149 -1.144895 0.009368 -0.071387 -0.049585 0.087422 0.067725 0.050773 -0.104485 -0.119531 0.278076 -0.170263 0.005410 0.164853 6.751825 4.946791 -0.072291 -0.552278 7.480883 -2.500633 7.827802 -0.000002 256 O 2.166929 4.740112 19.001256 -0.689263 50.594058 0.84212519E+03 0.22708948E+05 11.015799 9.164733 -0.190682 1.936611 0.996085 31.498784 88.468762 0.607284 0.374019 -1.124342 0.014123 0.067093 0.009737 0.069251 0.028170 -0.017464 0.014448 -0.108010 0.241572 -0.103445 0.019145 0.084300 12.618883 10.650156 1.288309 -0.295823 16.114616 -5.711404 11.091878 -0.000002 257 O 3.724785 5.926177 17.994114 -0.626019 38.155350 0.60487178E+03 0.14957714E+05 8.941568 7.584532 0.368570 2.135985 0.998751 29.043356 77.128174 0.694510 0.356636 -1.142236 -0.026713 0.000176 -0.030519 0.040559 0.024667 -0.021608 0.065309 0.113214 0.081807 -0.109605 0.045173 0.064432 9.943140 16.056895 -1.023592 -0.369614 7.303021 -1.048244 6.469504 -0.000002 258 O 3.601254 2.488248 20.387432 -0.751065 53.605484 0.88346894E+03 0.24087674E+05 11.380154 9.327198 -0.208610 1.928566 0.995847 32.212368 90.685345 0.608359 0.369269 -1.129034 -0.018669 -0.056214 0.066546 0.089089 0.010032 -0.056966 0.041290 -0.073356 0.038686 -0.086918 0.014226 0.072692 13.264457 12.055560 0.017696 -3.930331 7.991001 -0.003710 19.746811 -0.000002 259 O 1.745725 2.925074 21.505698 -0.605130 41.220390 0.65856469E+03 0.16680913E+05 9.590277 8.075309 -0.049922 2.030357 0.993170 28.702098 77.832798 0.651229 0.371322 -1.127687 0.026670 0.023354 0.071873 0.080140 0.016225 -0.012925 0.012358 -0.048787 -0.252579 -0.087150 0.015326 0.071824 10.848103 16.504900 -2.227432 2.091860 6.845391 -0.091794 9.194017 -0.000006 260 O 0.171570 9.972345 14.624628 -0.658905 44.133878 0.69961202E+03 0.17990903E+05 10.013727 8.297412 0.019825 2.025970 0.995965 29.894062 81.686918 0.645433 0.369028 -1.129411 0.040048 -0.018368 0.032847 0.054956 0.004202 0.047493 0.032278 -0.026239 -0.155846 -0.082968 0.022819 0.060149 11.513684 11.871444 -4.401323 3.205576 12.554086 -4.411906 10.115522 -0.000002 261 O 2.083718 8.859545 14.307542 -0.641103 45.407002 0.70575202E+03 0.18185895E+05 10.188793 8.351068 -0.021647 2.020456 0.995185 29.578726 80.870171 0.641446 0.370564 -1.128400 -0.039247 -0.009892 0.036373 0.054416 0.012202 -0.007107 0.064526 0.031984 -0.087098 -0.082775 0.030801 0.051974 11.497718 15.118290 0.800556 -5.546368 7.794624 -1.377119 11.580238 -0.000001 262 O 5.546858 6.473592 20.256830 -0.592955 38.215627 0.64412861E+03 0.16177561E+05 9.032120 7.977377 0.281593 2.128179 0.994691 28.618088 76.539604 0.658244 0.370492 -1.131635 0.006367 0.003192 0.046569 0.047110 -0.057242 -0.082332 -0.045057 0.175601 0.175898 -0.156725 0.015510 0.141215 9.612739 11.111862 0.676512 -4.112167 7.306385 -0.522405 10.419971 -0.000001 263 O 3.775398 5.663529 21.193401 -0.433879 29.842651 0.48390178E+03 0.11294092E+05 7.633896 6.900417 0.602268 2.297477 0.992438 25.379723 65.045993 0.711193 0.368999 -1.134847 -0.020495 0.009118 0.064146 0.067955 0.078122 0.053148 -0.069840 0.021475 -0.204542 -0.144896 0.031692 0.113204 7.964967 9.737830 2.816156 -0.754010 7.682417 -0.178517 6.474653 -0.000007 264 O 4.686435 7.445391 21.991706 -0.456031 25.249343 0.38997661E+03 0.86425340E+04 6.698881 6.060142 0.775287 2.308950 0.998978 26.018999 65.439923 0.782610 0.353149 -1.144895 -0.009367 -0.071387 0.049586 0.087422 -0.067725 0.050773 0.104486 -0.119531 0.278076 -0.170263 0.005410 0.164853 6.751820 4.946787 0.072291 -0.552277 7.480877 2.500631 7.827795 0.000004 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is 0.000431 The total net atomic charge of the unit cell is -0.000004 Accuracy of reproducing the electrostatic potential in the unit cell: The inner radius (bohr) = 5.0000 The outer radius (bohr) = 12.0000 Valid grid points have density less than (e/(bohr^3)) = 0.0001 The number of valid grid points were= 68952 The rms potential error without charges in kcal/mol is= 12.45185 The rms potential error with partial charges in kcal/mol is= 1.00871 The RRMSE value at monopole order= 0.08101 The rms potential error with partial charges and cloud penetration in kcal/mol is= 0.99988 The RRMSE value at monopole order with cloud penetration is= 0.08030 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.71985 The RRMSE value at dipole order= 0.05781 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.71981 The RRMSE value at dipole order with cloud penetration= 0.05781 ****************************************************** The electron densities and ab initio electrostatic potential were computed in VASP using the PBE functional and projector augmented wave method. See the main text of the journal article for a description of computational details. The atomic charges, dipoles, and quadrupoles were computed with the DDEC6 method as described in (a) T. A. Manz and N. Gabaldon Limas, RSC Adv. 6 (2016) 47771-47801 DOI: 10.1039/c6ra04656h (b) N. Gabaldon Limas and T. A. Manz, RSC Adv. 8 (2018) 2678-2707 DOI: 10.1039/c7ra11829e. For each atom in the material, the electron cloud parameters were fit to the spherically averaged atom-in-material electron density using radial positions for which this density was between 10^-4 and 10^-2 electrons per cubic bohr. The polarizabilities, dispersion coefficients, and quantum Drude oscillator (QDO) parameters were fit using the MCLF method. The magnetic structure of the system was optimized in VASP from the default ferromagnetic initial guess using spin polarization. The atomic spin moments (ASMs) were computed on this optimized magnetic structure using the DDEC6 partition as inputs to the method of T. A. Manz and D. S. Sholl, J. Chem. Theory Comput. 7 (2011) 4146-4164 DOI: 10.1021/ct200539n. The RMSE and RRMSE were computed using a uniform grid with Ewald summation.