___ ___ ___ _ _ _ | | |_ | | | | | | | | | . | | | | |__ | _|___|_____| 1.1.1b1 |___|_| User: askhl@i050.dcsc.fysik.dtu.dk Date: Thu Jan 12 19:33:22 2017 Arch: x86_64 Pid: 90676 Python: 2.6.6 gpaw: /home/niflheim/askhl/src/gpaw/gpaw _gpaw: /home/niflheim/askhl/src/gpaw/build/bin.linux-x86_64-sl230s-2.6/ gpaw-python ase: /home/niflheim/askhl/src/ase/ase (version 3.12.0b1) numpy: /home/opt/el6/sl230s/numpy-1.7.1-sl230s-gfortran-internal-1/lib64/python2.6/site-packages/numpy (version 1.7.1) scipy: /home/opt/el6/sl230s/scipy-0.12.0-sl230s-gfortran-netlib-1/lib64/python2.6/site-packages/scipy (version 0.12.0) units: Angstrom and eV Input parameters: basis: {Au: pvalence.dz, C: szp(dzp), H: sz(dzp), N: szp(dzp), S: szp(dzp)} gpts: [320 320 320] mixer: {backend: pulay, beta: 0.05, method: separate, nmaxold: 5, weight: 200.0} mode: lcao nbands: 105% occupations: {name: fermi-dirac, width: 0.1} poissonsolver: {eps: 2e-10, name: fd, nn: 3, relax: J, remove_moment: None} xc: System changes: positions, numbers, cell, pbc, initial_charges, initial_magmoms Initialize ... Au-setup: name: Gold id: ce9178880345ed3fcb954228c630895d Z: 79 valence: 11 core: 68 charge: 0.0 file: /home/niflheim/askhl/install/gpaw-setups-0.9.11271/Au.revPBE.gz cutoffs: 1.32(comp), 2.33(filt), 2.81(core), lmax=2 valence states: energy radius 6s(1.00) -5.619 1.323 6p(0.00) -0.750 1.323 5d(10.00) -6.822 1.323 *s 21.593 1.323 *p 26.461 1.323 *d 20.390 1.323 LCAO basis set for Au: Name: pvalence.dz File: /home/niflheim/askhl/install/pvalence/gpaw-basis-pvalence-0.9.11271/Au.pvalence.dz.basis.gz Number of radial functions: 6 Number of spherical harmonics: 18 l=2, rc=5.8438 Bohr: 5d-sz confined orbital l=0, rc=8.5000 Bohr: 6s-sz confined orbital l=1, rc=13.6250 Bohr: 6p-sz confined orbital l=2, rc=3.5312 Bohr: 5d-dz split-valence wave l=0, rc=4.9688 Bohr: 6s-dz split-valence wave l=1, rc=8.3281 Bohr: 6p-dz split-valence wave S-setup: name: Sulfur id: 21274d7d0bb6781eb4bea84a22b2e9de Z: 16 valence: 6 core: 10 charge: 0.0 file: /home/niflheim/askhl/install/gpaw-setups-0.9.11271/S.revPBE.gz cutoffs: 0.76(comp), 1.77(filt), 1.66(core), lmax=2 valence states: energy radius 3s(2.00) -17.230 0.974 3p(4.00) -6.978 0.979 *s 9.981 0.974 *p 20.234 0.979 *d 0.000 0.900 LCAO basis set for S: Name: szp(dzp) File: /home/niflheim/askhl/install/gpaw-setups-0.9.11271/S.dzp.basis.gz Number of radial functions: 3 Number of spherical harmonics: 9 l=0, rc=5.5156 Bohr: 3s-sz confined orbital l=1, rc=6.9375 Bohr: 3p-sz confined orbital l=2, rc=6.9375 Bohr: d-type Gaussian polarization N-setup: name: Nitrogen id: 127ad278b844861e703a8b7cd8635ac7 Z: 7 valence: 5 core: 2 charge: 0.0 file: /home/niflheim/askhl/install/gpaw-setups-0.9.11271/N.revPBE.gz cutoffs: 0.58(comp), 1.11(filt), 0.96(core), lmax=2 valence states: energy radius 2s(2.00) -18.619 0.603 2p(3.00) -7.035 0.529 *s 8.592 0.603 *p 20.177 0.529 *d 0.000 0.577 LCAO basis set for N: Name: szp(dzp) File: /home/niflheim/askhl/install/gpaw-setups-0.9.11271/N.dzp.basis.gz Number of radial functions: 3 Number of spherical harmonics: 9 l=0, rc=4.8594 Bohr: 2s-sz confined orbital l=1, rc=6.0625 Bohr: 2p-sz confined orbital l=2, rc=6.0625 Bohr: d-type Gaussian polarization C-setup: name: Carbon id: dee72eb2c5c42928d41fd4f58924e7b0 Z: 6 valence: 4 core: 2 charge: 0.0 file: /home/niflheim/askhl/install/gpaw-setups-0.9.11271/C.revPBE.gz cutoffs: 0.64(comp), 1.14(filt), 1.14(core), lmax=2 valence states: energy radius 2s(2.00) -13.783 0.635 2p(2.00) -5.237 0.635 *s 13.429 0.635 *p 21.974 0.635 *d 0.000 0.635 LCAO basis set for C: Name: szp(dzp) File: /home/niflheim/askhl/install/gpaw-setups-0.9.11271/C.dzp.basis.gz Number of radial functions: 3 Number of spherical harmonics: 9 l=0, rc=5.5469 Bohr: 2s-sz confined orbital l=1, rc=6.6719 Bohr: 2p-sz confined orbital l=2, rc=6.6719 Bohr: d-type Gaussian polarization H-setup: name: Hydrogen id: 3c6a698a8690aeeacbc6041f547121c6 Z: 1 valence: 1 core: 0 charge: 0.0 file: /home/niflheim/askhl/install/gpaw-setups-0.9.11271/H.revPBE.gz cutoffs: 0.48(comp), 0.85(filt), 0.53(core), lmax=2 valence states: energy radius 1s(1.00) -6.547 0.476 *s 20.664 0.476 *p 0.000 0.476 LCAO basis set for H: Name: sz(dzp) File: /home/niflheim/askhl/install/gpaw-setups-0.9.11271/H.dzp.basis.gz Number of radial functions: 1 Number of spherical harmonics: 1 l=0, rc=6.4219 Bohr: 1s-sz confined orbital Reference Energy: -75830350.804790 Spin-paired calculation Occupation numbers: Fermi-Dirac: width=0.1000 eV Convergence Criteria: Maximum total energy change: 0.0005 eV / electron Maximum integral of absolute density change: 0.0001 electrons Maximum integral of absolute eigenstate change: 4e-08 eV^2 Maximum number of iterations: 333 Symmetries present (total): 1 ( 1 0 0) ( 0 1 0) ( 0 0 1) 1 k-point (Gamma) 1 k-point in the Irreducible Part of the Brillouin Zone k-points in crystal coordinates weights 0: 0.00000000 0.00000000 0.00000000 1/1 Wave functions: LCAO Diagonalizer: BLACS 16 x 16 grid with 64 x 64 blocksize Atomic Correction: distributed and block-sparse Datatype: float Eigensolver: None LCAO using direct dense diagonalizer Densities: Coarse grid: 320*320*320 grid Fine grid: 640*640*640 grid Total Charge: 0.000000 Density mixing: Method: separate Backend: pulay Linear mixing parameter: 0.05 Mixing with 5 old densities Damping of long wave oscillations: 200 Hamiltonian: XC and Coulomb potentials evaluated on a 640*640*640 grid Using the vdW-DF-CX Exchange-Correlation Functional Details: vdW-DF-CX [libvdwxc/fftw3-mpi with 256 cores] GGA kernel: GGA_X_LV_RPW86+LDA_C_PW Interpolation: tri-quintic (5. degree polynomial) Poisson solver: Jacobi solver with 7 multi-grid levels Coarsest grid: 10 x 10 x 10 points Stencil: 6*3+1=19 point O(h^6) finite-difference Laplacian Tolerance: 2.000000e-10 Max iterations: 1000 Memory estimate: Process memory now: 88.46 MiB Calculator: 1096.12 MiB Density: 410.47 MiB Arrays: 85.94 MiB Localized functions: 12.03 MiB Mixer: 312.50 MiB Hamiltonian: 246.23 MiB Arrays: 46.88 MiB XC: 179.69 MiB Poisson: 18.97 MiB vbar: 0.69 MiB Wavefunctions: 439.43 MiB C [qnM]: 8.90 MiB S, T [2 x qmm]: 7.56 MiB P [aqMi]: 26.80 MiB TCI: 0.00 MiB BasisFunctions: 396.16 MiB Eigensolver: 0.00 MiB Total number of cores used: 256 Domain decomposition: 2 x 2 x 2 8 x 8 x 4 (fine grid) Parallelization over states: 32 Number of atoms: 2424 Number of atomic orbitals: 11112 Adjusting number of bands by +9 to match parallelization Number of bands in calculation: 3360 Bands to converge: occupied states only Number of valence electrons: 6384 ... initialized Initializing position-dependent things. Density initialized from atomic densities .-----------------------------------------------------------------------------------------------------------------------------------------------. /| | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | | / | H H | / | H H H N H H | / | H N H H N | / | C H CH H | / | H HHH H H C H CHH | / | HNC N H H C | / | H HH H C H | / | H H HCC HHH H C H HH H CHH | / | NH H HH C H H N H C | / | C HHC HC H H H | / | H H HC H H H HHC C H C H CHH C H H N | / | H N CH H H H H HC H HHC H C H H HC H | / | H H NHH C H H H C H H H C HH | / | C H HHC H H CC H H HHH HCH CC CHH C H H C CH C H H | * | H H C H CH H HH H H C H H HH C H C H H HCH H H H | | | H N H H H C H CCH H C HHC H H CH H C HC | | | HH H C H HH C HC H H HH HHHCCHHH C H C H C H H HC H HC H H H | | | HN H C C H HHH H CH H C H C HH H H C H H H H H C H H H N H | | | H C HHHHH C HHC HH H H C C HH CH CCCHH HC HC H H H H CN HH H C HC | | | H CH N H NH CC HH HH HH H H H H HS HHC HH HHCHHCHHCC HC H H CH | | | H H C H H H H C CC H H HCHH S CACSHH C C HH HC HCCHCCH HHN H HCH HC C H | | | HHC HHC H H H HH CC H CCH H HCHSHHCH H C CS HuCH C H C HH H H C H H | | | H NH C HH C H H H CHHH H H S ACCH C HC H AuS HH H C SH HHHHC H HHH HC CH | | | C CCH C HH H HH CHH SH HHH HCCC AC HHAu HHu Hu H C C HH HC CCHH H H H H H H | | | H H CCHHCCCHHHCHH CC HHAuH C HAu HAuHHCuHH AAuHHHHHHC H C H HH C H H CHH C HN H | | | H HH CHN C C C C HHCH S Au C HH CAuHHH CCCAHH S H C H CH H C H H H H C N | | | H H H CHHHCCCHCC HC H SCHHAu H SHAuHCC CAuHuCCCHAu C CSu C H H H HC C H H CH HCC H | | | H H CH CCH H H HH C H AuH S AAu AH AuuSAuHHuCNH H HH CH HHHHH C HH C C H H | | H H C H C CH H C H C HHCHH H Hu AC Au Au CC H Au H CAuHC HH HHHC H NHH H CHH H | | |N HC H H HHHH H CH H Au HHu AuH Auu H AAuAu H AuH CHCCHC CHC C C C CH N | | HH|HH C H H HH H H CH HHH HHH H SCS H AuSCCCAuAAu Au S AuAu H AuH HHHCHu C C HHC H C H HH H H | | N H C C HC CCCC C H HuH H AuHAu CHu H AAu Au C AuuHSC C HHHH H C H H H H | | H | C H C HC HCH HHCH HHC CHHSC HSuHHH HHHCC HAu Au SAu C HAC HHC HC C H | | H H H H H HH H HHHCHCAHH C CAu CHAu AAu SAu AuH HAuAuH Su HHH | | | C HHC H CHCAuH CAHuC N Su Au Au AuHH H H S | | | H HHN HC H C H H HH H AAHH C Au HHuHCACH AH H H H H H | | H | H H H CH HHC HSS H Au AuC AuH Au AuHHCHCCCCNHHu C S H CH H H H | | | C CHHC C H C H H H Au AuH Au HHu CC HH H CC C HH HC HC CH CH CH H | | H HC H C CHH H H H H HAHH H Au HCHHAH S AuAu SH HHH H HHHH C C H H HCH HC C NH | | NH C H H HHH HH H C CCAHH HH CAu Au S AuHCSHH C H C H HHHHH H CH C H HH H | | H H H HH HHCC C CCSSHHHHHCHSCCAH H Au Au Au HCS SC H CCHHCCH HC HC HHN H C C H HH | | | HH H HCHCN C CH HHH HHHHCuC HH HAAuHH C Au HCC H C H C H CHHC CH CH H H H H C N | | | HC HC HHHHHHHHHCC CHSH HS S HH Au CH H HHH HH H C H C H HH | | | H CHN C HH H H HCNH HH HAu HH SC HC HS HHHHC C H N H | | | H H HHH HH C C CHH HH H S H C H C AuS H CCH H H H | | | H H H H H H HCH H HCH H HH H C SH HC C H C H H C C H | | | C C C HC H H H CC H C C C HHHHHCHH CC H H | | | H H H H H C H H CHH H H HCC H HHH C CH HHC H C HH | | .H----C----H--H--C--C-H---H--HH----HC---H--H-HH-H--H--C--HH---CH-H-H-C----H-H-H---C-------------------------------------------------------------. | / CH H C C H H CHCH H H H CH H C HHC HCH C H HH / | / HN H H H H H H C H H CHC H C HH H H C HHC C / | / H H N C C HCC H H CH HHC H H N H CH CH H H H / | / H H H H H HHH H H C H H H HC HHC CH H C CH / | / C HH C CHCH H C H C H H / | / H H HCH H H C H C H H C H C C H / | / N HC H C H H C H H H H H H H H HH N H / | / H H C H H CC H H H CH HC H C H H / | / H NH C CH HC H CH / | / H H H H C HH H C H H HH H HN / | / H N H H H CH HC H H / | / H CHH HN H / | / N C H H C H H / | / H H H HC H / | / H N H / | / H NH / | / H H / | / / | / / | / / | / / | / / | / / | / / | / / | / / | / / | / / | / / | / / | / / | / / | / / | / / |/ / *-----------------------------------------------------------------------------------------------------------------------------------------------* Positions: 0 Au 30.076836 27.356929 28.168605 1 Au 27.189788 29.961881 25.648655 2 Au 27.123937 27.976486 23.517007 3 Au 30.191838 25.268314 26.139863 4 Au 28.186331 25.078756 28.338677 5 Au 32.775652 26.468102 27.341414 6 Au 32.272563 27.237804 30.231668 7 Au 31.084683 24.668940 28.999803 8 Au 24.989468 30.151132 23.640494 9 Au 24.477360 27.366258 22.761811 10 Au 28.255375 27.266120 21.031816 11 Au 31.777340 24.276490 23.755431 12 Au 29.477282 22.686378 27.457932 13 Au 26.194886 29.396646 21.064915 14 Au 26.105469 23.875081 29.817176 15 Au 32.367339 23.601838 26.624061 16 Au 34.193932 25.464948 25.135227 17 Au 33.987254 24.984189 29.425033 18 Au 28.980435 23.406703 30.613866 19 Au 31.101786 21.223535 24.931471 20 Au 21.588532 26.352698 24.054064 21 Au 27.385435 21.019091 29.042668 22 Au 35.671546 23.675186 27.224771 23 Au 34.094315 24.685152 21.860068 24 Au 29.886891 30.676521 25.044878 25 Au 27.309207 27.866601 27.606896 26 Au 25.087382 27.889443 25.644618 27 Au 27.791604 30.862308 22.940590 28 Au 29.998581 28.765033 22.819264 29 Au 29.107588 33.353443 24.131963 30 Au 31.978697 32.831354 24.780568 31 Au 30.683217 31.615837 22.352825 32 Au 25.263789 25.694381 27.674628 33 Au 24.396356 25.277150 24.937553 34 Au 22.588632 29.080957 24.933771 35 Au 25.572007 32.552965 22.015265 36 Au 29.070258 30.066570 20.441393 37 Au 22.679207 27.065514 27.053250 38 Au 31.579791 26.686804 21.554456 39 Au 28.387812 32.995136 21.228025 40 Au 27.068594 34.888555 23.024321 41 Au 31.189017 34.552475 22.616479 42 Au 32.391617 29.547409 21.243527 43 Au 26.595694 31.746231 19.048137 44 Au 25.685865 22.297461 23.862843 45 Au 30.685351 27.971913 18.938609 46 Au 28.992486 36.267999 21.150270 47 Au 23.792661 34.883974 22.538238 48 Au 26.720995 30.553228 28.361295 49 Au 29.257887 27.971815 25.533669 50 Au 27.285885 25.768388 25.534820 51 Au 24.593180 28.480243 28.549081 52 Au 24.484625 30.754560 26.517591 53 Au 25.943580 29.573009 31.045476 54 Au 26.442976 32.602371 30.461761 55 Au 24.070125 31.283521 29.432790 56 Au 29.379523 25.880769 23.344450 57 Au 26.581993 25.162512 22.857270 58 Au 26.583213 23.270591 26.727838 59 Au 23.797847 26.170399 30.216187 60 Au 22.094777 29.942123 27.742694 61 Au 28.782288 23.372532 24.637581 62 Au 23.198690 32.270591 24.546881 63 Au 23.000965 28.957086 30.843049 64 Au 24.895746 27.463482 32.614541 65 Au 24.377362 31.479335 32.337266 66 Au 22.787078 32.999517 27.440522 67 Au 20.804195 27.360238 29.436938 68 Au 25.316937 26.468170 20.038738 69 Au 20.471726 31.488067 25.636189 70 Au 23.093679 29.391946 34.131370 71 Au 24.286012 24.200593 32.541955 72 Au 28.314564 32.325958 26.756761 73 Au 31.132889 29.756141 29.331664 74 Au 31.120390 31.745172 31.531320 75 Au 28.166583 34.470169 28.737733 76 Au 30.270154 34.557832 26.546264 77 Au 25.657888 33.246507 27.660739 78 Au 26.186407 32.651861 24.755700 79 Au 27.383402 35.064668 25.934033 80 Au 33.364464 29.764263 31.426927 81 Au 33.918581 32.573423 31.949237 82 Au 29.777636 32.558126 34.021266 83 Au 26.603239 35.546352 30.820256 84 Au 28.865056 36.950162 27.527486 85 Au 31.996373 30.480711 33.926717 86 Au 32.586655 35.671894 25.125420 87 Au 25.668547 36.059015 28.035047 88 Au 24.103832 34.161293 29.930493 89 Au 24.483017 34.779012 25.539539 90 Au 29.578066 36.337345 24.465647 91 Au 27.189465 38.353065 29.846696 92 Au 36.585736 33.552326 30.843928 93 Au 31.167794 38.587997 25.821959 94 Au 22.567564 36.163515 27.821424 95 Au 24.119820 34.759254 32.924682 96 Au 28.506060 28.950950 29.929420 97 Au 31.050326 31.791128 27.355748 98 Au 33.198000 31.864494 29.336070 99 Au 30.504918 28.857076 32.052634 100 Au 28.371180 30.886983 32.152242 101 Au 29.461934 26.270395 30.818484 102 Au 26.568227 26.776697 30.216846 103 Au 27.784058 27.884873 32.724149 104 Au 33.128052 33.909030 27.278655 105 Au 33.592944 34.759788 30.039701 106 Au 35.840886 30.450027 30.010640 107 Au 32.778410 27.480954 33.138061 108 Au 29.263089 29.466844 34.598853 109 Au 35.669081 32.664012 28.060512 110 Au 26.699120 33.066244 33.233924 111 Au 30.085465 26.350373 33.538268 112 Au 31.976624 24.884300 31.746562 113 Au 27.193529 25.065783 32.331922 114 Au 26.388481 30.140644 34.011630 115 Au 31.588290 27.958537 36.023759 116 Au 32.575383 37.377653 31.048045 117 Au 27.680027 31.968736 36.145278 118 Au 29.674977 23.197610 33.533198 119 Au 34.919014 25.026908 32.587317 120 Au 31.658532 29.084268 26.619128 121 Au 29.077384 31.694942 29.418885 122 Au 30.989150 33.952810 29.418406 123 Au 33.797841 31.088760 26.520833 124 Au 33.894309 29.005172 28.555532 125 Au 32.587592 29.996019 24.009428 126 Au 31.870377 27.073437 24.456395 127 Au 34.389155 28.338176 25.662757 128 Au 28.901587 33.800817 31.529822 129 Au 31.665860 34.392663 32.322299 130 Au 31.794270 36.465681 27.946544 131 Au 34.865391 33.272417 25.044950 132 Au 36.374043 29.886320 27.141849 133 Au 29.792576 36.353227 30.262813 134 Au 35.086283 27.478317 30.816461 135 Au 35.371920 30.560443 24.040269 136 Au 33.482007 32.457361 22.450510 137 Au 34.072976 27.677213 22.823603 138 Au 35.664526 26.968338 27.927411 139 Au 37.778105 32.171075 25.644065 140 Au 32.864283 33.355134 34.933064 141 Au 38.049946 28.352928 29.539132 142 Au 35.450741 30.081352 21.048454 143 Au 34.389782 35.371582 22.459010 144 S 31.636153 21.998686 22.796348 145 S 30.575144 20.506397 27.083266 146 S 22.143614 27.251795 21.970543 147 S 21.080521 25.421856 26.136279 148 S 29.222277 20.942821 30.490745 149 S 24.444919 32.206371 19.840529 150 S 28.769034 31.286359 18.299977 151 S 23.526419 23.162912 24.085897 152 S 27.816988 21.391840 23.568427 153 S 29.188130 26.170080 19.038444 154 S 32.181523 29.769775 18.799142 155 S 22.130373 33.236845 22.573532 156 S 25.387351 36.600336 22.506819 157 S 21.579221 25.182559 29.836585 158 S 20.037061 29.531663 29.025258 159 S 26.159103 24.352506 20.570956 160 S 20.296190 32.971515 27.443973 161 S 24.163542 22.686798 30.763198 162 S 24.373909 25.741762 34.309796 163 S 32.351695 24.703772 20.299621 164 S 35.820263 24.689004 23.439758 165 S 34.147402 21.956561 26.784019 166 S 37.353877 25.245161 27.648376 167 S 37.376584 27.830122 31.720740 168 S 38.594523 28.808408 27.318828 169 S 29.154768 34.605844 19.528043 170 S 28.917138 37.972106 22.758802 171 S 33.010348 38.009979 24.501941 172 S 29.348832 39.310960 27.111587 173 S 33.332549 38.116344 28.959361 174 S 31.832629 36.698112 33.158538 175 S 35.901839 35.623880 29.995484 176 S 37.244895 31.489599 31.744504 177 S 37.699778 33.837413 27.278110 178 S 37.835827 30.574260 23.935860 179 S 34.621335 32.135431 20.292336 180 S 36.267653 28.011759 21.767643 181 S 32.538834 36.059604 21.211108 182 S 36.289271 34.681173 23.634424 183 S 34.944087 32.622636 34.188470 184 S 30.778033 34.031692 35.742494 185 S 32.622385 30.041786 36.251454 186 S 30.626992 25.833559 35.863381 187 S 34.807778 26.653881 34.265246 188 S 35.042349 23.348952 30.961606 189 S 31.814940 22.647439 32.766650 190 S 24.818878 29.278526 35.711526 191 S 25.663343 36.515628 32.863145 192 S 22.579154 33.012617 33.037986 193 S 28.839591 38.247554 31.503940 194 S 25.575706 38.509735 28.169448 195 S 22.394432 35.924287 30.135804 196 S 22.668230 36.449613 25.503455 197 S 26.289175 33.747846 35.556968 198 S 29.020102 30.215019 36.919208 199 S 25.568801 21.172043 27.574630 200 S 24.458009 28.576032 19.499153 201 S 20.620512 30.071104 23.782354 202 S 27.588463 23.794117 34.393428 203 S 21.371440 29.638326 32.564790 204 N 40.518845 16.215360 11.508306 205 C 33.251086 21.224553 22.415392 206 C 33.373450 20.968917 20.917210 207 C 34.687239 20.283151 20.542377 208 C 34.832861 20.060644 19.037682 209 C 36.111256 19.321989 18.645597 210 C 36.263651 19.139671 17.135725 211 C 37.532023 18.388225 16.734291 212 C 37.640940 18.119149 15.233590 213 C 38.979077 17.502095 14.826744 214 C 39.045846 17.140846 13.339271 215 C 40.427958 16.629490 12.960369 216 H 40.250672 17.007378 10.864675 217 H 39.898026 15.386300 11.300966 218 H 34.045126 21.906509 22.755126 219 H 33.335663 20.279757 22.972792 220 H 33.286152 21.925647 20.373632 221 H 32.525113 20.345787 20.583788 222 H 34.756770 19.312638 21.065919 223 H 35.536679 20.887678 20.908793 224 H 33.957945 19.495928 18.666553 225 H 34.801220 21.037176 18.521842 226 H 36.987454 19.867620 19.041594 227 H 36.124350 18.331751 19.136527 228 H 35.378027 18.606082 16.743302 229 H 36.258179 20.131751 16.649040 230 H 38.415778 18.961483 17.069412 231 H 37.572686 17.426373 17.277029 232 H 37.493330 19.061876 14.676324 233 H 36.816874 17.451818 14.922866 234 H 39.792853 18.206822 15.075725 235 H 39.165539 16.595910 15.430421 236 H 38.798743 18.023158 12.724690 237 H 38.286328 16.376011 13.106634 238 H 40.713358 15.744249 13.546581 239 H 41.196335 17.402783 13.100151 240 H 41.507090 15.937524 11.257487 241 N 27.642287 5.748166 30.721347 242 C 29.415246 19.115409 26.841874 243 C 29.858023 17.910851 27.665198 244 C 28.960415 16.691570 27.454320 245 C 29.375672 15.493718 28.307281 246 C 28.529446 14.244654 28.067754 247 C 28.929930 13.065611 28.954120 248 C 28.099150 11.806511 28.711099 249 C 28.558428 10.597465 29.525737 250 C 27.631510 9.389685 29.387988 251 C 28.148434 8.149402 30.124213 252 C 27.145316 7.007863 30.047225 253 H 27.893399 5.925262 31.730826 254 H 28.487162 5.350491 30.227601 255 H 28.407238 19.437710 27.143580 256 H 29.398448 18.861749 25.771426 257 H 29.869730 18.182251 28.735074 258 H 30.898314 17.651844 27.400910 259 H 28.974942 16.405623 26.387151 260 H 27.913125 16.960433 27.682693 261 H 30.437487 15.257065 28.110652 262 H 29.322615 15.772866 29.374972 263 H 27.463240 14.485394 28.233588 264 H 28.611014 13.948094 27.006078 265 H 30.000464 12.838645 28.794465 266 H 28.839571 13.362987 30.014552 267 H 27.038848 12.020928 28.938565 268 H 28.131464 11.550641 27.636453 269 H 28.633067 10.875980 30.592475 270 H 29.580550 10.315948 29.214320 271 H 26.629311 9.657763 29.768247 272 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300 H 19.016719 21.822162 19.165353 301 H 20.237250 20.955278 20.098988 302 H 18.479147 20.299713 21.783948 303 H 17.260184 21.152564 20.836323 304 H 17.641830 19.633534 18.900252 305 H 18.941492 18.813947 19.766067 306 H 16.036520 18.903251 20.765064 307 H 17.361507 17.981768 21.476360 308 H 16.176701 17.574249 18.669225 309 H 17.569932 16.685997 19.289136 310 H 14.790308 16.663335 20.617944 311 H 16.192264 15.717355 21.129005 312 H 16.195578 14.539681 18.871521 313 H 14.746600 15.474585 18.413575 314 H 14.119656 13.308422 19.157645 315 N 7.227574 18.706861 27.385324 316 C 19.320393 25.767025 26.493882 317 C 18.557695 24.447186 26.459346 318 C 17.057412 24.628009 26.690143 319 C 16.293707 23.304552 26.696429 320 C 14.784004 23.465902 26.864940 321 C 14.036062 22.133649 26.908134 322 C 12.523351 22.284984 27.061082 323 C 11.762245 20.960496 27.008008 324 C 10.271218 21.108796 27.310884 325 C 9.494329 19.797119 27.157638 326 C 8.039828 19.969565 27.569921 327 H 7.647835 17.897767 27.916564 328 H 7.151444 18.439140 26.366366 329 H 19.230747 26.237007 27.484874 330 H 18.920918 26.459531 25.738012 331 H 18.970792 23.764874 27.222386 332 H 18.723294 23.956491 25.484187 333 H 16.642776 25.287972 25.906972 334 H 16.892115 25.152713 27.648591 335 H 16.498820 22.761093 25.755844 336 H 16.686123 22.663135 27.505937 337 H 14.575929 24.035913 27.789083 338 H 14.388961 24.080154 26.035247 339 H 14.259226 21.562075 25.988055 340 H 14.427940 21.525548 27.743453 341 H 12.303776 22.796381 28.016181 342 H 12.141930 22.952186 26.266894 343 H 12.207712 20.248007 27.725633 344 H 11.892782 20.505627 26.009500 345 H 10.147717 21.496961 28.337987 346 H 9.833634 21.871603 26.642295 347 H 9.959946 19.008141 27.772420 348 H 9.549155 19.451001 26.112098 349 H 7.533952 20.744918 26.976907 350 H 7.950471 20.230571 28.633788 351 H 6.244120 18.835483 27.750020 352 N 20.937161 8.899430 35.443639 353 C 28.702473 20.071877 32.015342 354 C 27.902949 18.842589 31.597625 355 C 27.322222 18.084475 32.791289 356 C 26.553631 16.829260 32.380765 357 C 25.912978 16.088789 33.553327 358 C 25.179890 14.814801 33.134147 359 C 24.522512 14.075021 34.298263 360 C 23.707847 12.853927 33.872096 361 C 23.180617 12.038323 35.052648 362 C 22.281224 10.874343 34.623946 363 C 21.867350 10.031073 35.820981 364 H 21.367610 8.276054 34.709073 365 H 20.012925 9.260358 35.081332 366 H 29.569546 19.777385 32.625623 367 H 28.073004 20.755618 32.604199 368 H 28.548275 18.168296 31.008292 369 H 27.084016 19.152319 30.924903 370 H 26.653985 18.754646 33.361514 371 H 28.137270 17.806720 33.483972 372 H 25.769276 17.104406 31.651931 373 H 27.235802 16.145374 31.844438 374 H 26.689866 15.838933 34.299161 375 H 25.205950 16.764875 34.067893 376 H 24.413990 15.068845 32.377904 377 H 25.891345 14.138014 32.627288 378 H 25.301856 13.763371 35.017606 379 H 23.865487 14.772714 34.848643 380 H 24.326413 12.201512 33.229600 381 H 22.861072 13.182971 33.243075 382 H 24.035822 11.652719 35.636430 383 H 22.618988 12.700118 35.735997 384 H 22.808156 10.239643 33.891322 385 H 21.385550 11.263852 34.112077 386 H 21.332200 10.624474 36.576121 387 H 22.735754 9.557989 36.300551 388 H 20.728919 8.288672 36.280499 389 N 14.131006 38.377206 10.157391 390 C 23.930878 33.794813 19.092771 391 C 22.694387 33.529195 18.241060 392 C 22.219940 34.772195 17.488286 393 C 20.957598 34.521877 16.664477 394 C 20.499935 35.734348 15.855720 395 C 19.215381 35.483022 15.066457 396 C 18.757759 36.685276 14.241982 397 C 17.528558 36.408201 13.376730 398 C 16.992040 37.655090 12.673666 399 C 15.823383 37.355472 11.729206 400 C 15.256138 38.636161 11.134772 401 H 13.351574 37.824674 10.605347 402 H 14.469617 37.853784 9.304679 403 H 23.709084 34.541496 19.870109 404 H 24.753043 34.171819 18.466355 405 H 21.880420 33.151704 18.884013 406 H 22.916020 32.724031 17.518753 407 H 23.027533 35.129274 16.824122 408 H 22.033734 35.590417 18.207383 409 H 21.132349 33.672246 15.979122 410 H 20.142342 34.201992 17.338076 411 H 20.353706 36.595001 16.534059 412 H 21.304818 36.031707 15.158943 413 H 19.363018 34.612638 14.400365 414 H 18.411047 35.193807 15.766825 415 H 18.545725 37.531927 14.920345 416 H 19.587750 37.019065 13.593081 417 H 16.727267 35.971763 14.000047 418 H 17.779298 35.638992 12.624125 419 H 16.676606 38.391677 13.434459 420 H 17.807034 38.135936 12.103631 421 H 15.027408 36.817619 12.271775 422 H 16.159099 36.683868 10.921616 423 H 16.016566 39.202825 10.578542 424 H 14.833957 39.288894 11.911707 425 H 13.708766 39.285493 9.820561 426 N 19.035946 26.633802 7.260930 427 C 28.648346 30.185379 16.845548 428 C 27.273551 30.387874 16.218006 429 C 27.014220 29.437515 15.049084 430 C 25.653826 29.663038 14.390833 431 C 25.347955 28.683994 13.258776 432 C 24.001652 28.944166 12.583531 433 C 23.679638 27.960329 11.459716 434 C 22.293444 28.156520 10.846250 435 C 22.041508 27.268177 9.627949 436 C 20.617041 27.393870 9.077828 437 C 20.445261 26.574354 7.807327 438 H 18.735590 27.628744 7.078323 439 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22.361131 18.366977 25.874475 468 C 21.676844 17.456753 26.892749 469 C 21.881838 15.969494 26.606013 470 C 21.188200 15.050598 27.610545 471 C 21.309638 13.564628 27.273627 472 C 20.743025 12.651183 28.360576 473 C 20.774560 11.168622 27.975146 474 C 20.300166 10.292532 29.125236 475 H 21.215430 8.488181 28.437654 476 H 19.559559 8.622672 28.010324 477 H 23.227314 22.472375 26.366981 478 H 21.642764 22.507791 25.539346 479 H 23.903548 20.491375 25.000869 480 H 22.369106 20.545818 24.128040 481 H 21.120786 20.097953 26.254365 482 H 22.635819 20.086030 27.158925 483 H 21.962224 18.149967 24.866557 484 H 23.437844 18.123116 25.830574 485 H 22.050855 17.692046 27.906161 486 H 20.594399 17.679807 26.910449 487 H 21.519059 15.743068 25.586128 488 H 22.964530 15.748559 26.596971 489 H 21.604129 15.233580 28.618253 490 H 20.118189 15.320137 27.672225 491 H 22.371060 13.308674 27.103520 492 H 20.793273 13.365008 26.317340 493 H 21.311972 12.805191 29.295159 494 H 19.702651 12.947176 28.585019 495 H 21.798187 10.874854 27.686822 496 H 20.140326 10.999941 27.089002 497 H 19.278846 10.548045 29.442042 498 H 20.966009 10.374439 29.995791 499 H 20.010474 8.235994 29.604684 500 N 29.155722 12.518340 11.030080 501 C 28.178177 21.485435 21.777754 502 C 28.022439 20.076041 21.217193 503 C 28.397171 19.986101 19.737903 504 C 28.204804 18.584461 19.160643 505 C 28.630703 18.456931 17.699144 506 C 28.397618 17.060729 17.122542 507 C 28.834776 16.918845 15.665370 508 C 28.693146 15.500284 15.114015 509 C 28.990544 15.401953 13.617763 510 C 28.946398 13.964107 13.090329 511 C 29.143641 13.926695 11.582024 512 H 28.271515 11.999450 11.279885 513 H 29.983235 11.967798 11.387671 514 H 27.500764 22.181774 21.260835 515 H 29.212361 21.837173 21.646482 516 H 26.980758 19.738777 21.357136 517 H 28.652863 19.381093 21.799216 518 H 29.449421 20.296511 19.606583 519 H 27.792820 20.708296 19.159583 520 H 28.773468 17.858265 19.770052 521 H 27.143423 18.293948 19.259530 522 H 28.086468 19.202767 17.091044 523 H 29.701443 18.715836 17.608355 524 H 28.932580 16.317814 17.742976 525 H 27.325128 16.808465 17.207645 526 H 28.247488 17.615952 15.039999 527 H 29.887721 17.240127 15.568084 528 H 27.669867 15.129115 15.304285 529 H 29.368224 14.824813 15.669870 530 H 28.265368 16.024463 13.063264 531 H 29.985255 15.835566 13.410654 532 H 27.980286 13.497068 13.346741 533 H 29.725585 13.361019 13.585417 534 H 30.099900 14.378359 11.281491 535 H 28.331379 14.447775 11.056070 536 H 29.217923 12.528211 9.975205 537 N 19.775584 18.575063 9.382551 538 C 28.069308 26.353126 17.604029 539 C 27.403501 25.018629 17.286711 540 C 26.538127 25.077056 16.027930 541 C 25.836552 23.753281 15.727535 542 C 25.014258 23.770745 14.440228 543 C 24.286922 22.453646 14.171134 544 C 23.473786 22.456007 12.877536 545 C 22.823187 21.110939 12.555237 546 C 21.893381 21.165422 11.343060 547 C 21.322815 19.795382 10.962293 548 C 20.324360 19.915005 9.820336 549 H 19.326098 18.061664 10.187444 550 H 20.530278 17.962012 8.969815 551 H 27.309701 27.123332 17.805931 552 H 28.688679 26.682661 16.756520 553 H 26.787150 24.702784 18.146236 554 H 28.180848 24.244309 17.163020 555 H 27.165096 25.364937 15.164877 556 H 25.783520 25.877186 16.135725 557 H 26.590427 22.946990 15.666831 558 H 25.181443 23.488983 16.577055 559 H 24.279469 24.595603 14.484341 560 H 25.678306 24.002452 13.587522 561 H 25.025099 21.630661 14.142241 562 H 23.618166 22.229209 15.021727 563 H 22.692749 23.235742 12.940388 564 H 24.127706 22.750982 12.036849 565 H 22.252976 20.755352 13.432440 566 H 23.612435 20.357330 12.381672 567 H 21.066694 21.867918 11.552713 568 H 22.438668 21.585819 10.479176 569 H 20.829669 19.335492 11.835534 570 H 22.142776 19.116831 10.673863 571 H 20.776538 20.364722 8.924770 572 H 19.451150 20.516510 10.109509 573 H 19.031127 18.697031 8.642527 574 N 40.161387 30.780515 5.609996 575 C 33.682274 29.156806 17.949426 576 C 33.806447 29.872163 16.608635 577 C 34.961779 29.338775 15.761570 578 C 35.115839 30.079019 14.433742 579 C 36.226220 29.522785 13.544192 580 C 36.395485 30.295530 12.236373 581 C 37.493762 29.737266 11.332650 582 C 37.602087 30.446487 9.982969 583 C 38.796782 29.980699 9.150724 584 C 38.844180 30.619508 7.758885 585 C 40.102818 30.208444 7.009123 586 H 40.089406 31.833208 5.621271 587 H 39.389781 30.395448 5.000000 588 H 34.587357 29.315296 18.554976 589 H 33.546305 28.075975 17.795152 590 H 33.941712 30.953971 16.781334 591 H 32.860329 29.764600 16.049680 592 H 34.807049 28.262282 15.566510 593 H 35.903819 29.411455 16.334755 594 H 34.157391 30.044290 13.883933 595 H 35.308556 31.148212 14.634720 596 H 37.180979 29.527290 14.101564 597 H 36.013484 28.462142 13.317169 598 H 35.433886 30.299715 11.690154 599 H 36.615887 31.353506 12.467083 600 H 38.464022 29.799247 11.858679 601 H 37.311886 28.660802 11.160827 602 H 37.676022 31.537441 10.142407 603 H 36.669590 30.286668 9.412115 604 H 39.729411 30.209295 9.697363 605 H 38.766644 28.881372 9.046155 606 H 38.810500 31.718809 7.846329 607 H 37.951407 30.324918 7.182578 608 H 40.174410 29.117420 6.893853 609 H 41.009602 30.565607 7.517160 610 H 41.078879 30.540811 5.143652 611 N 12.895491 45.439027 19.968803 612 C 20.629661 34.151760 23.076383 613 C 20.367712 35.370489 22.198340 614 C 19.127995 36.152828 22.631768 615 C 18.837769 37.352483 21.730980 616 C 17.638216 38.184333 22.181240 617 C 17.335081 39.358535 21.250899 618 C 16.146066 40.205890 21.701259 619 C 15.898922 41.435825 20.828017 620 C 14.621845 42.190847 21.196661 621 C 14.430625 43.477678 20.387317 622 C 13.098807 44.137704 20.712761 623 H 12.971792 45.301813 18.925338 624 H 13.597441 46.170328 20.265803 625 H 19.793746 33.439638 23.004901 626 H 20.745039 34.455354 24.127574 627 H 20.254974 35.048669 21.148506 628 H 21.249503 36.034481 22.224794 629 H 19.257759 36.498065 23.673305 630 H 18.251640 35.479654 22.641675 631 H 19.733027 37.999500 21.686223 632 H 18.670827 36.998361 20.697814 633 H 16.747319 37.534080 22.256896 634 H 17.822359 38.565155 23.202427 635 H 18.233979 39.997402 21.167968 636 H 17.143691 38.973613 20.232902 637 H 15.236655 39.577634 21.716089 638 H 16.305267 40.531044 22.745436 639 H 15.845812 41.132343 19.766816 640 H 16.765740 42.116762 20.904935 641 H 13.752582 41.525053 21.048459 642 H 14.637139 42.436689 22.273552 643 H 14.476996 43.255411 19.307645 644 H 15.256916 44.176946 20.597623 645 H 13.011837 44.382398 21.781081 646 H 12.251622 43.496368 20.431890 647 H 11.933280 45.833440 20.156733 648 N 19.424127 45.952901 11.702924 649 C 25.536321 37.162405 20.771830 650 C 24.506768 38.247613 20.476501 651 C 24.534380 38.703996 19.017815 652 C 23.532078 39.819685 18.725493 653 C 23.499698 40.249578 17.259963 654 C 22.521278 41.391874 16.987880 655 C 22.470395 41.818820 15.521689 656 C 21.424508 42.894130 15.228101 657 C 21.484883 43.418933 13.793590 658 C 20.371560 44.421922 13.474125 659 C 20.534132 44.994451 12.073744 660 H 19.350544 46.743871 12.397493 661 H 18.489841 45.463155 11.648118 662 H 26.555028 37.542753 20.602855 663 H 25.372428 36.291904 20.119255 664 H 24.684997 39.112247 21.139125 665 H 23.499123 37.870691 20.724939 666 H 24.326417 37.841253 18.359593 667 H 25.552341 39.046436 18.757523 668 H 22.521685 39.490890 19.030647 669 H 23.767671 40.694013 19.358542 670 H 24.515111 40.550041 16.942302 671 H 23.230960 39.380670 16.631841 672 H 21.510420 41.090988 17.320565 673 H 22.797638 42.261327 17.611410 674 H 23.467696 42.183267 15.214244 675 H 22.264932 40.934343 14.891722 676 H 21.555249 43.739238 15.927936 677 H 20.417391 42.486932 15.430267 678 H 22.470037 43.888776 13.621587 679 H 21.424567 42.570848 13.088267 680 H 20.380152 45.243284 14.210696 681 H 19.388797 43.930381 13.566456 682 H 20.525446 44.208440 11.305067 683 H 21.468058 45.565820 11.977601 684 H 19.604755 46.390272 10.758038 685 N 10.833099 29.053823 40.204188 686 C 20.826223 24.621360 31.408305 687 C 19.772206 25.652870 31.795486 688 C 19.037086 25.287852 33.085128 689 C 17.952095 26.297662 33.456481 690 C 17.245383 25.985086 34.774238 691 C 16.136812 26.980594 35.115138 692 C 15.434034 26.685190 36.439309 693 C 14.391087 27.731634 36.831206 694 C 13.591686 27.349748 38.077001 695 C 12.618719 28.445302 38.524920 696 C 11.772803 27.980419 39.701182 697 H 10.200508 29.402832 39.435103 698 H 11.361208 29.875431 40.606441 699 H 20.355748 23.646187 31.211648 700 H 21.560067 24.501440 32.219216 701 H 19.045160 25.761098 30.972005 702 H 20.254246 26.639205 31.913465 703 H 19.765046 25.209459 33.912625 704 H 18.585792 24.284454 32.981271 705 H 18.398377 27.307462 33.513539 706 H 17.206083 26.344225 32.642842 707 H 16.824039 24.963828 34.732379 708 H 17.989177 25.972170 35.591769 709 H 16.561233 28.001482 35.141601 710 H 15.391092 26.985050 34.299666 711 H 14.953257 25.691445 36.382058 712 H 16.188656 26.609462 37.243165 713 H 13.693501 27.892988 35.989537 714 H 14.893618 28.701511 36.997840 715 H 13.035200 26.416267 37.877494 716 H 14.286606 27.119232 38.904233 717 H 11.959398 28.730554 37.687560 718 H 13.180614 29.352571 38.802581 719 H 12.391231 27.690748 40.562800 720 H 11.135174 27.128120 39.427428 721 H 10.207833 28.678270 40.968867 722 N 5.768220 34.688289 26.032472 723 C 18.616427 29.362964 27.887551 724 C 17.537014 30.368749 28.272441 725 C 16.271043 30.225864 27.427623 726 C 15.200947 31.257425 27.782025 727 C 13.903708 31.094911 26.991839 728 C 12.855830 32.155696 27.327796 729 C 11.548739 31.992471 26.553546 730 C 10.464383 32.991830 26.955815 731 C 9.217720 32.916902 26.074283 732 C 8.094807 33.848272 26.542420 733 C 6.918637 33.817750 25.577546 734 H 6.075449 35.687313 26.177495 735 H 5.342607 34.331693 26.931046 736 H 18.938284 29.523582 26.847554 737 H 18.233867 28.335859 27.983399 738 H 17.936928 31.392587 28.171191 739 H 17.283608 30.240310 29.339412 740 H 15.857930 29.209037 27.555018 741 H 16.529612 30.316934 26.357059 742 H 14.978693 31.195091 28.863153 743 H 15.606058 32.271900 27.616399 744 H 14.126114 31.125906 25.909331 745 H 13.483036 30.091297 27.185613 746 H 12.647987 32.129508 28.413688 747 H 13.276857 33.157136 27.125384 748 H 11.752743 32.088174 25.471337 749 H 11.165160 30.966232 26.698718 750 H 10.873132 34.017749 26.917325 751 H 10.182285 32.817903 28.009919 752 H 9.495556 33.162405 25.033417 753 H 8.843780 31.877637 26.052699 754 H 8.472398 34.881256 26.629680 755 H 7.760450 33.552145 27.550624 756 H 6.506211 32.804889 25.464561 757 H 7.202532 34.191461 24.583732 758 H 5.000000 34.705896 25.307034 759 N 20.886746 10.253966 16.747247 760 C 24.725415 23.214324 20.511627 761 C 25.078546 21.749789 20.276449 762 C 23.878978 20.921549 19.816156 763 C 24.217898 19.444902 19.617476 764 C 23.048758 18.609396 19.099140 765 C 23.389412 17.127778 18.941206 766 C 22.230738 16.286131 18.408578 767 C 22.595104 14.822992 18.157919 768 C 21.394491 13.960192 17.769345 769 C 21.779112 12.518612 17.420848 770 C 20.544733 11.673117 17.143841 771 H 21.476879 9.780388 17.482733 772 H 21.403618 10.221483 15.826631 773 H 23.980056 23.305660 21.316041 774 H 24.310982 23.659820 19.594967 775 H 25.492692 21.318853 21.204461 776 H 25.881343 21.685686 19.521105 777 H 23.485945 21.338819 18.871573 778 H 23.061097 21.015334 20.553406 779 H 25.067230 19.357328 18.915276 780 H 24.574101 19.022554 20.574266 781 H 22.186848 18.718916 19.782784 782 H 22.716050 19.013756 18.125716 783 H 24.260742 17.025415 18.267891 784 H 23.713899 16.724968 19.917713 785 H 21.386714 16.337326 19.120585 786 H 21.859359 16.731571 17.467814 787 H 23.067666 14.398554 19.062135 788 H 23.360802 14.769767 17.363036 789 H 20.665054 13.960756 18.599278 790 H 20.875881 14.417304 16.907684 791 H 22.353961 12.070199 18.248929 792 H 22.443284 12.512082 16.540625 793 H 19.943476 12.081891 16.319133 794 H 19.905058 11.589761 18.033668 795 H 20.011040 9.673061 16.635817 796 N 10.215786 44.149099 30.954730 797 C 19.534503 34.511827 26.812108 798 C 18.558168 35.038938 27.857957 799 C 17.879017 36.338893 27.427047 800 C 16.929458 36.892988 28.488246 801 C 16.193536 38.159511 28.054690 802 C 15.276233 38.725118 29.138583 803 C 14.523819 39.983657 28.709002 804 C 13.533676 40.497488 29.753972 805 C 12.898781 41.835989 29.376864 806 C 11.833339 42.297660 30.376479 807 C 11.306527 43.679357 30.017779 808 H 10.543774 44.149656 31.957675 809 H 9.353177 43.543882 30.881515 810 H 20.352122 35.230867 26.652530 811 H 19.017734 34.347673 25.854774 812 H 19.092021 35.197561 28.810988 813 H 17.790005 34.271526 28.058311 814 H 17.321768 36.167907 26.488397 815 H 18.648232 37.096172 27.190194 816 H 16.189968 36.116313 28.756665 817 H 17.498669 37.098398 29.412644 818 H 16.929521 38.928531 27.756051 819 H 15.598442 37.942411 27.148883 820 H 14.551668 37.947145 29.443231 821 H 15.875653 38.948419 30.039664 822 H 15.252859 40.779924 28.471482 823 H 13.981622 39.780370 27.767688 824 H 14.043969 40.601339 30.728593 825 H 12.741146 39.742738 29.906327 826 H 13.690928 42.602092 29.296533 827 H 12.446456 41.758991 28.371957 828 H 12.255059 42.317895 31.395785 829 H 11.002233 41.573230 30.397065 830 H 10.870683 43.703573 29.008719 831 H 12.098015 44.439825 30.074031 832 H 9.924525 45.139009 30.726747 833 N 18.004418 11.057753 38.694699 834 C 24.645504 21.039029 31.404504 835 C 23.390330 20.532240 32.106341 836 C 23.574772 19.139879 32.709769 837 C 22.307660 18.610296 33.379691 838 C 22.486280 17.245669 34.042655 839 C 21.202363 16.709846 34.675609 840 C 21.374518 15.352035 35.354798 841 C 20.118569 14.857070 36.071715 842 C 20.255977 13.435855 36.617749 843 C 19.033833 12.981268 37.422271 844 C 19.170897 11.528845 37.854669 845 H 17.088080 11.186413 38.187507 846 H 17.956003 11.572237 39.615952 847 H 24.903567 20.384579 30.558288 848 H 25.493496 21.059946 32.105187 849 H 22.550320 20.517923 31.390372 850 H 23.105943 21.243144 32.901877 851 H 24.397145 19.165761 33.447238 852 H 23.895852 18.435490 31.921098 853 H 21.963085 19.339726 34.135547 854 H 21.498798 18.549969 32.629485 855 H 22.860325 16.520507 33.296680 856 H 23.272852 17.317086 34.815936 857 H 20.825395 17.445508 35.410279 858 H 20.420761 16.632207 33.898316 859 H 21.685280 14.605313 34.601283 860 H 22.205019 15.411021 36.081546 861 H 19.257245 14.897042 35.380635 862 H 19.875327 15.548459 36.898625 863 H 20.427832 12.740331 35.776572 864 H 21.156076 13.371510 37.254968 865 H 18.118229 13.100526 36.818374 866 H 18.909431 13.626043 38.308131 867 H 20.070166 11.365282 38.465661 868 H 19.209570 10.852408 36.989303 869 H 18.091094 10.027845 38.914935 870 N 16.888273 30.091386 47.042491 871 C 22.673099 25.890917 34.969018 872 C 22.814900 26.514552 36.353160 873 C 21.481616 26.611366 37.094644 874 C 21.611441 27.272154 38.466258 875 C 20.301604 27.324688 39.250606 876 C 20.436505 28.021966 40.604037 877 C 19.134831 28.066008 41.402970 878 C 19.286382 28.675926 42.796309 879 C 17.954751 28.851501 43.526252 880 C 18.119429 29.368135 44.959258 881 C 16.767556 29.626686 45.608008 882 H 17.483449 30.959533 47.117045 883 H 17.304355 29.342231 47.660056 884 H 22.027455 26.513321 34.331256 885 H 22.230124 24.886721 35.045493 886 H 23.260531 27.519973 36.258454 887 H 23.525472 25.916854 36.950641 888 H 21.053493 25.599675 37.213040 889 H 20.758107 27.177589 36.480489 890 H 22.370211 26.731112 39.060952 891 H 22.003763 28.297191 38.339417 892 H 19.531354 27.838189 38.646218 893 H 19.928591 26.295730 39.405086 894 H 21.217964 27.512894 41.198356 895 H 20.801898 29.052694 40.445277 896 H 18.377694 28.635528 40.833457 897 H 18.731992 27.041435 41.499652 898 H 19.788170 29.657382 42.718722 899 H 19.957823 28.039800 43.400859 900 H 17.315932 29.545803 42.951167 901 H 17.415768 27.887414 43.546275 902 H 18.711737 30.298950 44.959613 903 H 18.688143 28.636264 45.556659 904 H 16.144530 28.721197 45.634025 905 H 16.212685 30.416696 45.082721 906 H 15.939917 30.334606 47.440223 907 N 36.827778 19.704536 6.336608 908 C 33.077780 25.193073 18.693401 909 C 33.126517 24.006329 17.737296 910 C 33.810360 24.345143 16.412766 911 C 33.826441 23.170844 15.435225 912 C 34.558629 23.468254 14.127905 913 C 34.534531 22.299192 13.143581 914 C 35.277623 22.581550 11.838714 915 C 35.338709 21.383295 10.891707 916 C 35.951180 21.719394 9.532000 917 C 36.103436 20.495239 8.623265 918 C 36.617198 20.893688 7.247556 919 H 35.942486 19.140460 6.229165 920 H 37.591513 19.069707 6.696398 921 H 32.485711 26.012660 18.258990 922 H 34.094046 25.562083 18.897170 923 H 32.100258 23.648715 17.544073 924 H 33.658886 23.169540 18.222584 925 H 34.846669 24.674501 16.608768 926 H 33.301058 25.206810 15.944362 927 H 34.294583 22.296569 15.923699 928 H 32.786929 22.869947 15.212561 929 H 34.112902 24.360821 13.651565 930 H 35.607399 23.736499 14.351246 931 H 34.968430 21.405912 13.630229 932 H 33.484869 22.038955 12.916424 933 H 34.796383 23.432683 11.323024 934 H 36.306773 22.911488 12.069720 935 H 34.321730 20.978593 10.739929 936 H 35.919047 20.572463 11.367864 937 H 35.324763 22.479402 9.031144 938 H 36.940215 22.188897 9.679444 939 H 35.133818 19.979347 8.518682 940 H 36.793988 19.770679 9.085986 941 H 37.587433 21.407649 7.304431 942 H 35.905682 21.548820 6.725570 943 H 37.111092 20.018117 5.368038 944 N 48.090724 16.318173 27.458198 945 C 36.309420 22.943655 23.692472 946 C 37.727484 22.988811 24.250978 947 C 38.369643 21.604403 24.339654 948 C 39.776030 21.639145 24.936053 949 C 40.460623 20.274157 24.978148 950 C 41.850958 20.315911 25.611711 951 C 42.550309 18.957817 25.644519 952 C 43.977644 19.011778 26.188731 953 C 44.612048 17.631108 26.356559 954 C 46.075602 17.693695 26.805581 955 C 46.631411 16.300321 27.060288 956 H 48.249857 16.919155 28.310822 957 H 48.702960 16.674303 26.674562 958 H 35.653887 22.358260 24.354720 959 H 36.305991 22.480782 22.694364 960 H 37.713011 23.455743 25.251075 961 H 38.348940 23.642394 23.613985 962 H 38.408751 21.153018 23.331910 963 H 37.729155 20.938715 24.946197 964 H 40.400958 22.341861 24.354868 965 H 39.726416 22.055688 25.958177 966 H 39.823910 19.560315 25.532473 967 H 40.539052 19.874692 23.950513 968 H 42.478693 21.041766 25.062048 969 H 41.767775 20.708133 26.641446 970 H 41.951895 18.255241 26.252995 971 H 42.569108 18.533101 24.624402 972 H 43.983370 19.533022 27.163074 973 H 44.601416 19.625220 25.513775 974 H 44.022761 17.048830 27.087695 975 H 44.546969 17.077448 25.402834 976 H 46.163489 18.298450 27.724162 977 H 46.680090 18.203799 26.037240 978 H 46.568629 15.663317 26.166402 979 H 46.102469 15.799400 27.883224 980 H 48.426322 15.346037 27.701207 981 N 40.001669 9.995517 34.543979 982 C 33.938275 21.027844 28.347215 983 C 35.084603 20.025758 28.428658 984 C 34.918011 19.032917 29.579019 985 C 36.083872 18.051454 29.690022 986 C 35.909667 17.011258 30.795138 987 C 37.099274 16.059853 30.920991 988 C 36.927836 15.005806 32.013778 989 C 38.071120 13.993399 32.079345 990 C 37.963614 13.037935 33.267798 991 C 39.054238 11.961809 33.273248 992 C 38.970553 11.102193 34.525983 993 H 40.979928 10.379325 34.448203 994 H 39.835400 9.296699 33.769542 995 H 33.898043 21.640952 29.260156 996 H 32.978365 20.502479 28.232972 997 H 36.038891 20.568707 28.542539 998 H 35.154818 19.474671 27.474452 999 H 33.976044 18.471137 29.445123 1000 H 34.810032 19.585011 30.530225 1001 H 36.218609 17.534822 28.722007 1002 H 37.017998 18.615796 29.862170 1003 H 35.743893 17.524306 31.760306 1004 H 34.992177 16.425790 30.602275 1005 H 37.269036 15.560380 29.949006 1006 H 38.013184 16.647746 31.121652 1007 H 36.827324 15.509723 32.992511 1008 H 35.976914 14.466048 31.853204 1009 H 39.036913 14.527812 32.131454 1010 H 38.097069 13.412549 31.139714 1011 H 38.010537 13.620473 34.205516 1012 H 36.971838 12.551422 33.260734 1013 H 40.050236 12.432950 33.216186 1014 H 38.957226 11.327758 32.376292 1015 H 37.993205 10.607566 34.620206 1016 H 39.150599 11.694392 35.434173 1017 H 39.968367 9.465114 35.457376 1018 N 51.288970 27.133047 21.189509 1019 C 38.234620 25.497644 26.066619 1020 C 39.684315 25.030612 25.994937 1021 C 40.544886 25.917924 25.095543 1022 C 41.989380 25.431365 24.988191 1023 C 42.882805 26.337343 24.142833 1024 C 44.314944 25.819718 24.011600 1025 C 45.220606 26.727146 23.180373 1026 C 46.676253 26.263946 23.126514 1027 C 47.538195 27.092244 22.173694 1028 C 49.016455 26.690169 22.198575 1029 C 49.813910 27.467212 21.161485 1030 H 51.452116 26.099460 21.053298 1031 H 51.737376 27.429080 22.098928 1032 H 37.765669 25.449671 25.072251 1033 H 38.184435 26.534831 26.430228 1034 H 39.716551 23.989624 25.629239 1035 H 40.112061 25.013760 27.012723 1036 H 40.533387 26.952894 25.482238 1037 H 40.096745 25.965493 24.086501 1038 H 42.419436 25.340194 26.002517 1039 H 41.997878 24.410719 24.565206 1040 H 42.439726 26.455794 23.136900 1041 H 42.899149 27.349266 24.587243 1042 H 44.747874 25.689770 25.020923 1043 H 44.295348 24.811472 23.559749 1044 H 44.819800 26.798027 22.152616 1045 H 45.183463 27.752849 23.590163 1046 H 46.716509 25.202924 22.820443 1047 H 47.108077 26.302225 24.142895 1048 H 47.141982 26.991143 21.147216 1049 H 47.447443 28.162678 22.431184 1050 H 49.117163 25.608594 22.005451 1051 H 49.434577 26.867904 23.203338 1052 H 49.745928 28.553016 21.320090 1053 H 49.474947 27.242098 20.140531 1054 H 51.802107 27.629805 20.410632 1055 N 51.319098 21.421274 33.778111 1056 C 38.259070 26.283703 32.144328 1057 C 39.760323 26.537037 32.227609 1058 C 40.561150 25.256691 32.464681 1059 C 42.062905 25.509902 32.588954 1060 C 42.889130 24.237203 32.765658 1061 C 44.384951 24.506661 32.927197 1062 C 45.221888 23.238646 33.089248 1063 C 46.727019 23.496912 33.154405 1064 C 47.541754 22.241476 33.465810 1065 C 49.054274 22.483481 33.430326 1066 C 49.819384 21.236404 33.848287 1067 H 51.634154 22.238314 34.366885 1068 H 51.645869 21.574117 32.785335 1069 H 37.884743 25.875593 33.095279 1070 H 38.036282 25.565927 31.340804 1071 H 39.966094 27.258535 33.037255 1072 H 40.101010 27.016206 31.293014 1073 H 40.374949 24.549041 31.636800 1074 H 40.195370 24.756795 33.379869 1075 H 42.416428 26.051684 31.692510 1076 H 42.247155 26.187570 33.441903 1077 H 42.518296 23.676910 33.643613 1078 H 42.728842 23.575607 31.894824 1079 H 44.747077 25.079410 32.053205 1080 H 44.542136 25.161679 33.803189 1081 H 44.901148 22.705529 34.002957 1082 H 45.009753 22.552427 32.249322 1083 H 46.938563 24.264385 33.920764 1084 H 47.064230 23.927221 32.194150 1085 H 47.249201 21.857866 34.459853 1086 H 47.283072 21.446086 32.744142 1087 H 49.319018 23.319294 34.100078 1088 H 49.359644 22.788173 32.415502 1089 H 49.589194 20.377359 33.201911 1090 H 49.600016 20.958509 34.888757 1091 H 51.821059 20.566946 34.145385 1092 N 52.692526 30.025480 33.378154 1093 C 40.065014 29.895427 27.262120 1094 C 41.138880 29.193883 28.086453 1095 C 42.375361 30.065425 28.306321 1096 C 43.471129 29.352893 29.097787 1097 C 44.692076 30.225992 29.381719 1098 C 45.796439 29.490381 30.140298 1099 C 47.015917 30.359910 30.442576 1100 C 48.081248 29.657533 31.284064 1101 C 49.357245 30.482246 31.453094 1102 C 50.381880 29.819459 32.379575 1103 C 51.672995 30.622821 32.433703 1104 H 52.913504 29.025547 33.123643 1105 H 52.357840 30.053329 34.379630 1106 H 40.443442 30.126861 26.255038 1107 H 39.761582 30.834281 27.748912 1108 H 41.431221 28.255050 27.584897 1109 H 40.715432 28.902977 29.063798 1110 H 42.082703 30.990613 28.834723 1111 H 42.777977 30.387989 27.329022 1112 H 43.052443 28.990587 30.054633 1113 H 43.787367 28.449068 28.546607 1114 H 45.095393 30.615358 28.428838 1115 H 44.378130 31.112730 29.962138 1116 H 45.383685 29.091133 31.085433 1117 H 46.113360 28.609218 29.553588 1118 H 47.464896 30.699899 29.491378 1119 H 46.688895 31.276399 30.966485 1120 H 48.336985 28.686412 30.822988 1121 H 47.661162 29.419298 32.277913 1122 H 49.810107 30.655357 30.460212 1123 H 49.100508 31.481052 31.849122 1124 H 50.599921 28.795671 32.030921 1125 H 49.959158 29.720409 33.393209 1126 H 51.502470 31.651363 32.782660 1127 H 52.163287 30.664846 31.450965 1128 H 53.602709 30.560817 33.336755 1129 N 26.973644 41.476316 5.866897 1130 C 27.880389 34.971286 18.266061 1131 C 28.558039 35.602914 17.054983 1132 C 27.555911 36.133558 16.029815 1133 C 28.229348 36.731683 14.795491 1134 C 27.248273 37.323095 13.784866 1135 C 27.931508 37.883438 12.537716 1136 C 26.959581 38.491210 11.527490 1137 C 27.644944 39.138521 10.324313 1138 C 26.662888 39.608762 9.251315 1139 C 27.345436 40.346834 8.095063 1140 C 26.345540 40.701929 7.004466 1141 H 27.781779 40.947732 5.441468 1142 H 27.318624 42.422729 6.184757 1143 H 27.283307 34.098735 17.960887 1144 H 27.216129 35.699075 18.755518 1145 H 29.220145 34.860498 16.576586 1146 H 29.210892 36.427183 17.391892 1147 H 26.914650 36.897506 16.505206 1148 H 26.877944 35.317689 15.720011 1149 H 28.941493 37.515438 15.112817 1150 H 28.838969 35.953544 14.301965 1151 H 26.515331 36.550386 13.488270 1152 H 26.662875 38.124155 14.272068 1153 H 28.673279 38.645351 12.841539 1154 H 28.509205 37.078186 12.048891 1155 H 26.263606 37.707735 11.175724 1156 H 26.332211 39.246564 12.034663 1157 H 28.356890 38.423273 9.874177 1158 H 28.253039 39.994339 10.668930 1159 H 26.108881 38.736171 8.860768 1160 H 25.905814 40.270154 9.709312 1161 H 28.148062 39.721248 7.668828 1162 H 27.830489 41.262725 8.471660 1163 H 25.528698 41.331600 7.385297 1164 H 25.908805 39.801956 6.549232 1165 H 26.273675 41.641574 5.092649 1166 N 34.946597 51.693452 26.320769 1167 C 30.280306 39.093919 22.276718 1168 C 30.118626 40.350788 23.124666 1169 C 31.255444 41.351421 22.916836 1170 C 31.119570 42.595281 23.793862 1171 C 32.212283 43.636577 23.558668 1172 C 32.087201 44.858297 24.468576 1173 C 33.166955 45.912786 24.230289 1174 C 32.990021 47.177747 25.069892 1175 C 34.153918 48.159532 24.934522 1176 C 33.926432 49.468812 25.697132 1177 C 35.151215 50.368417 25.620294 1178 H 34.676238 51.556753 27.331555 1179 H 34.201167 52.272638 25.846826 1180 H 31.198798 38.556564 22.557082 1181 H 30.337632 39.356971 21.209946 1182 H 30.062434 40.069330 24.190524 1183 H 29.155436 40.832643 22.881321 1184 H 31.289198 41.652689 21.854327 1185 H 32.222878 40.859071 23.124017 1186 H 30.131415 43.058752 23.618187 1187 H 31.124911 42.292333 24.856359 1188 H 33.203446 43.168720 23.703425 1189 H 32.182942 43.962564 22.502909 1190 H 31.088919 45.313531 24.329869 1191 H 32.124932 44.529642 25.522937 1192 H 34.158829 45.470804 24.437143 1193 H 33.176753 46.188657 23.160161 1194 H 32.870808 46.902963 26.133542 1195 H 32.048819 47.678499 24.779457 1196 H 35.079457 47.674970 25.294305 1197 H 34.323428 48.384824 23.866405 1198 H 33.692811 49.254838 26.753957 1199 H 33.049164 49.993726 25.283817 1200 H 35.417208 50.612337 24.581784 1201 H 36.022748 49.905218 26.103824 1202 H 35.836676 52.263067 26.315696 1203 N 42.821841 49.860487 23.691950 1204 C 34.429070 38.745626 25.394343 1205 C 34.757908 40.053842 24.683492 1206 C 36.037301 40.704311 25.209667 1207 C 36.350115 42.035841 24.528489 1208 C 37.656855 42.674278 24.995886 1209 C 37.939021 44.023538 24.335540 1210 C 39.251780 44.663103 24.785216 1211 C 39.585196 45.964918 24.056875 1212 C 40.819535 46.671094 24.617777 1213 C 41.209399 47.920942 23.821900 1214 C 42.375399 48.646810 24.476764 1215 H 42.026293 50.538053 23.545366 1216 H 43.214312 49.590879 22.749069 1217 H 34.248005 38.924798 26.464902 1218 H 35.262532 38.034736 25.292060 1219 H 33.912405 40.754577 24.795410 1220 H 34.860346 39.863946 23.600632 1221 H 36.885983 40.010986 25.068729 1222 H 35.950293 40.860462 26.300221 1223 H 36.390044 41.884677 23.434105 1224 H 35.515715 42.738288 24.704697 1225 H 37.633116 42.798847 26.094144 1226 H 38.494120 41.983285 24.787854 1227 H 37.947468 43.895391 23.237108 1228 H 37.104006 44.714139 24.552191 1229 H 39.210268 44.851808 25.873619 1230 H 40.077479 43.944078 24.634891 1231 H 38.720782 46.651235 24.110010 1232 H 39.737277 45.752470 22.983235 1233 H 40.632109 46.944250 25.671875 1234 H 41.671444 45.967954 24.632165 1235 H 40.346751 48.604478 23.745332 1236 H 41.475817 47.638059 22.789932 1237 H 43.261315 48.002203 24.568292 1238 H 42.109263 49.017652 25.476551 1239 H 43.579932 50.384756 24.208831 1240 N 22.222404 52.659444 24.875948 1241 C 28.121882 39.972040 25.926096 1242 C 28.203049 41.483779 26.107556 1243 C 26.925597 42.198942 25.667700 1244 C 27.016140 43.717630 25.809859 1245 C 25.728903 44.448911 25.433186 1246 C 25.844532 45.969038 25.542840 1247 C 24.557092 46.708944 25.182809 1248 C 24.638321 48.222066 25.383399 1249 C 23.400540 48.964773 24.880244 1250 C 23.441718 50.467885 25.174338 1251 C 22.242880 51.179307 24.564455 1252 H 23.109616 53.132474 24.555683 1253 H 22.098658 52.837419 25.909755 1254 H 27.995381 39.718742 24.862696 1255 H 27.269149 39.564432 26.489291 1256 H 29.062870 41.875934 25.537161 1257 H 28.406014 41.712671 27.168477 1258 H 26.072503 41.824350 26.261619 1259 H 26.701163 41.940521 24.616934 1260 H 27.286848 43.970548 26.851430 1261 H 27.846390 44.091678 25.184175 1262 H 25.438133 44.174453 24.402469 1263 H 24.907074 44.096992 26.083194 1264 H 26.149302 46.236623 26.571702 1265 H 26.661592 46.318147 24.885840 1266 H 24.294781 46.491743 24.131158 1267 H 23.725022 46.308782 25.790186 1268 H 25.531705 48.617021 24.866731 1269 H 24.788586 48.439291 26.456338 1270 H 23.297773 48.800821 23.792391 1271 H 22.496376 48.528097 25.340859 1272 H 24.372041 50.905813 24.774387 1273 H 23.461939 50.634386 26.264215 1274 H 21.291388 50.777063 24.940768 1275 H 22.244027 51.103757 23.467999 1276 H 21.422694 53.137750 24.377536 1277 N 27.430359 49.954267 36.935424 1278 C 32.755465 39.846267 28.789969 1279 C 32.274722 40.323490 30.155992 1280 C 31.798445 41.775955 30.138070 1281 C 31.353043 42.271951 31.513000 1282 C 30.815932 43.702026 31.507138 1283 C 30.409777 44.199531 32.894116 1284 C 29.856787 45.623884 32.896415 1285 C 29.360054 46.090723 34.264510 1286 C 28.949345 47.563028 34.287166 1287 C 28.357749 48.000444 35.631122 1288 C 28.062384 49.493078 35.640780 1289 H 28.034220 49.712118 37.766196 1290 H 26.474980 49.526113 37.075709 1291 H 33.624455 40.435730 28.460769 1292 H 31.954100 39.953016 28.043710 1293 H 33.089474 40.209341 30.891912 1294 H 31.453303 39.671306 30.501052 1295 H 30.963542 41.879346 29.421779 1296 H 32.607754 42.424993 29.757241 1297 H 30.576539 41.593261 31.911168 1298 H 32.202317 42.202556 32.216292 1299 H 31.578503 44.379556 31.080884 1300 H 29.945595 43.760942 30.828317 1301 H 29.657660 43.510305 33.321118 1302 H 31.284077 44.146781 33.567861 1303 H 30.637059 46.317495 32.533044 1304 H 29.028037 45.693998 32.168654 1305 H 30.147410 45.923440 35.021583 1306 H 28.504445 45.463857 34.574245 1307 H 29.828539 48.187452 34.046382 1308 H 28.212687 47.752302 33.485993 1309 H 29.057885 47.758630 36.448789 1310 H 27.433622 47.434057 35.834001 1311 H 27.361863 49.778352 34.842887 1312 H 28.980448 50.086557 35.527352 1313 H 27.307473 51.003835 36.941108 1314 N 36.891953 38.448179 47.725894 1315 C 33.283366 36.867404 34.259042 1316 C 32.894377 36.910947 35.732699 1317 C 34.090514 37.165000 36.650046 1318 C 33.712994 37.169805 38.130683 1319 C 34.882153 37.482141 39.062963 1320 C 34.500182 37.446119 40.542481 1321 C 35.659579 37.772375 41.482665 1322 C 35.260399 37.832153 42.956927 1323 C 36.451886 38.010328 43.897937 1324 C 36.039372 38.171171 45.364738 1325 C 37.258173 38.239458 46.273112 1326 H 36.240748 37.692993 48.070998 1327 H 36.432786 39.386878 47.880012 1328 H 33.979760 36.036651 34.069655 1329 H 33.769656 37.809133 33.963819 1330 H 32.408177 35.960104 36.011867 1331 H 32.138583 37.701053 35.886477 1332 H 34.556212 38.131635 36.386287 1333 H 34.863526 36.396051 36.469964 1334 H 32.906640 37.907161 38.298667 1335 H 33.283089 36.187919 38.398614 1336 H 35.702982 36.765443 38.876323 1337 H 35.289029 38.479414 38.814658 1338 H 33.669562 38.154289 40.720284 1339 H 34.101367 36.445478 40.789010 1340 H 36.458746 37.020420 41.349074 1341 H 36.104430 38.740770 41.189935 1342 H 34.717648 36.909652 43.231669 1343 H 34.544463 38.660383 43.106708 1344 H 37.127614 37.142293 43.794154 1345 H 37.039053 38.892473 43.585818 1346 H 35.398512 37.327201 45.671748 1347 H 35.431672 39.083618 45.483485 1348 H 37.923771 39.072586 46.005481 1349 H 37.837681 37.306142 46.241206 1350 H 37.751957 38.415369 48.339118 1351 N 42.928984 48.960886 33.487588 1352 C 36.200446 36.838172 31.332723 1353 C 37.072016 37.974432 30.809125 1354 C 37.357722 39.035137 31.872182 1355 C 38.197470 40.196361 31.341893 1356 C 38.546408 41.238481 32.402961 1357 C 39.353587 42.413599 31.851836 1358 C 39.720757 43.454006 32.908874 1359 C 40.609038 44.581190 32.382777 1360 C 40.845610 45.691076 33.407022 1361 C 41.817034 46.767522 32.911912 1362 C 41.939452 47.901308 33.919299 1363 H 42.679335 49.358480 32.542567 1364 H 43.913001 48.579305 33.444541 1365 H 35.214606 37.219532 31.638772 1366 H 36.677666 36.358665 32.200376 1367 H 36.579506 38.443714 29.939849 1368 H 38.025574 37.560138 30.437337 1369 H 37.876944 38.566568 32.727565 1370 H 36.403388 39.423599 32.271684 1371 H 39.130341 39.799722 30.900817 1372 H 37.656788 40.685638 30.511848 1373 H 37.616917 41.615255 32.868081 1374 H 39.116301 40.752950 33.216126 1375 H 40.274821 42.029562 31.375506 1376 H 38.777596 42.901424 31.044757 1377 H 38.794873 43.883958 33.332942 1378 H 40.233752 42.953271 33.749991 1379 H 40.154959 45.017938 31.474957 1380 H 41.579575 44.160579 32.063235 1381 H 39.877236 46.154855 33.667840 1382 H 41.234843 45.251768 34.342902 1383 H 41.473061 47.170679 31.944242 1384 H 42.808079 46.319997 32.728850 1385 H 42.286086 47.544122 34.899611 1386 H 40.982222 48.423482 34.057021 1387 H 42.935631 49.769128 34.168344 1388 N 50.900328 31.408872 38.904269 1389 C 39.029356 31.237819 31.425794 1390 C 39.737916 31.262887 32.775680 1391 C 41.260663 31.256460 32.641475 1392 C 41.975831 31.241069 33.991706 1393 C 43.498553 31.295721 33.882335 1394 C 44.203024 31.240993 35.237659 1395 C 45.726225 31.310550 35.139651 1396 C 46.430464 31.353294 36.495597 1397 C 47.953143 31.271667 36.387551 1398 C 48.659350 31.416528 37.739520 1399 C 50.161986 31.224008 37.597011 1400 H 50.533583 30.757358 39.648917 1401 H 50.824343 32.401779 39.256560 1402 H 39.271811 30.312656 30.881486 1403 H 39.340365 32.098112 30.814521 1404 H 39.414750 30.394531 33.375636 1405 H 39.421866 32.160228 33.336066 1406 H 41.581826 32.142969 32.065469 1407 H 41.575135 30.378496 32.048560 1408 H 41.623875 32.094331 34.600137 1409 H 41.680932 30.333215 34.548068 1410 H 43.851965 30.461376 33.248918 1411 H 43.792368 32.221517 33.354766 1412 H 43.835200 32.069122 35.871654 1413 H 43.913321 30.310607 35.758784 1414 H 46.093527 30.442190 34.562593 1415 H 46.013201 32.204000 34.555898 1416 H 46.067946 30.522714 37.127883 1417 H 46.146960 32.281568 37.023705 1418 H 48.231604 30.308469 35.923251 1419 H 48.316313 32.057107 35.700850 1420 H 48.260069 30.678089 38.455428 1421 H 48.447585 32.410959 38.166396 1422 H 50.603732 31.945318 36.894641 1423 H 50.407824 30.208902 37.254891 1424 H 51.928759 31.194936 38.788987 1425 N 46.091742 40.755086 38.213279 1426 C 39.135128 33.565156 28.375224 1427 C 39.593478 34.896905 28.959374 1428 C 40.425000 34.727054 30.230805 1429 C 40.853320 36.060014 30.842841 1430 C 41.736538 35.913442 32.080611 1431 C 42.126360 37.252737 32.705520 1432 C 43.022643 37.117132 33.935512 1433 C 43.493531 38.454597 34.506322 1434 C 44.263281 38.312784 35.819432 1435 C 44.820158 39.643655 36.335385 1436 C 45.485316 39.470665 37.692931 1437 H 45.371871 41.524351 38.272302 1438 H 46.888602 41.083936 37.602851 1439 H 38.480139 33.038772 29.085782 1440 H 40.002606 32.925237 28.155061 1441 H 38.712182 35.526004 29.173808 1442 H 40.185177 35.441795 28.202985 1443 H 41.321120 34.121482 30.004804 1444 H 39.847456 34.149206 30.974982 1445 H 41.390107 36.654876 30.081187 1446 H 39.953267 36.645874 31.102418 1447 H 41.215460 35.293098 32.832877 1448 H 42.651913 35.355934 31.810372 1449 H 42.634318 37.874155 31.944690 1450 H 41.209219 37.803823 32.981687 1451 H 42.482829 36.553646 34.718478 1452 H 43.905390 36.504449 33.677142 1453 H 42.623049 39.115982 34.667262 1454 H 44.127875 38.965681 33.759753 1455 H 43.599234 37.866470 36.581477 1456 H 45.094679 37.598140 35.683692 1457 H 44.008940 40.387155 36.415214 1458 H 45.545794 40.050207 35.611417 1459 H 46.306197 38.740125 37.658034 1460 H 44.764174 39.148536 38.457204 1461 H 46.477953 40.621025 39.187751 1462 N 49.990405 38.451349 18.564473 1463 C 38.437336 31.523059 22.489042 1464 C 39.820786 32.073755 22.817183 1465 C 40.467118 32.787508 21.629907 1466 C 41.870213 33.306499 21.941027 1467 C 42.511412 34.076425 20.787895 1468 C 43.928885 34.556951 21.097800 1469 C 44.573176 35.341548 19.955923 1470 C 45.952151 35.906253 20.296372 1471 C 46.648695 36.558609 19.102159 1472 C 47.984839 37.211938 19.470148 1473 C 48.689063 37.754039 18.235045 1474 H 50.646861 37.813280 19.089264 1475 H 49.830035 39.320783 19.142497 1476 H 38.503714 30.766384 21.692790 1477 H 37.773566 32.332841 22.151187 1478 H 40.473038 31.249557 23.154370 1479 H 39.741820 32.772951 23.668081 1480 H 39.825194 33.629711 21.314542 1481 H 40.512389 32.099809 20.766029 1482 H 41.828404 33.956831 22.834023 1483 H 42.518330 32.455879 22.218682 1484 H 42.527043 33.439704 19.884239 1485 H 41.877911 34.945983 20.534323 1486 H 43.909106 35.181398 22.010335 1487 H 44.561247 33.684534 21.343004 1488 H 44.652838 34.689924 19.066545 1489 H 43.905699 36.172119 19.662662 1490 H 46.595057 35.100076 20.693634 1491 H 45.851832 36.643501 21.113298 1492 H 46.809885 35.797527 18.317533 1493 H 45.981963 37.318618 18.656941 1494 H 48.637717 36.479055 19.974003 1495 H 47.814955 38.027166 20.192993 1496 H 48.074351 38.494562 17.703532 1497 H 48.949568 36.949123 17.533498 1498 H 50.491412 38.748941 17.682908 1499 N 40.188471 43.721075 11.700732 1500 C 36.050990 33.260175 20.086896 1501 C 35.767077 34.219650 18.936384 1502 C 36.936530 35.162799 18.654137 1503 C 36.642382 36.153280 17.528415 1504 C 37.819375 37.065769 17.188282 1505 C 37.500168 38.077079 16.087584 1506 C 38.676203 38.984422 15.729448 1507 C 38.392045 39.931791 14.564065 1508 C 39.518469 40.934274 14.312909 1509 C 39.275364 41.814325 13.082482 1510 C 40.367386 42.863470 12.933924 1511 H 39.245589 44.194791 11.694841 1512 H 40.287343 43.153883 10.815145 1513 H 36.210223 33.817825 21.022126 1514 H 36.950949 32.663974 19.874524 1515 H 34.862172 34.808927 19.165142 1516 H 35.535361 33.638563 18.026558 1517 H 37.832407 34.569438 18.396936 1518 H 37.193495 35.717718 19.574622 1519 H 36.340302 35.596136 16.622623 1520 H 35.769207 36.770244 17.807032 1521 H 38.144236 37.601898 18.098930 1522 H 38.681231 36.447303 16.877698 1523 H 37.162358 37.535882 15.184237 1524 H 36.643412 38.698772 16.404730 1525 H 38.965151 39.573436 16.619125 1526 H 39.554694 38.361316 15.481725 1527 H 37.453518 40.483003 14.754854 1528 H 38.214123 39.339223 13.648545 1529 H 39.642149 41.570856 15.207522 1530 H 40.473284 40.392374 14.190287 1531 H 38.294472 42.313020 13.162452 1532 H 39.233134 41.186309 12.177070 1533 H 41.364447 42.408809 12.845022 1534 H 40.376198 43.559572 13.784387 1535 H 40.916407 44.486333 11.665838 1536 N 47.201582 21.480250 13.141913 1537 C 36.437270 26.987016 20.261037 1538 C 37.937762 26.772400 20.095702 1539 C 38.279366 25.919340 18.874060 1540 C 39.779213 25.667582 18.726068 1541 C 40.148907 24.868009 17.478012 1542 C 41.647360 24.590036 17.361622 1543 C 42.029086 23.803848 16.108315 1544 C 43.535311 23.606941 15.938361 1545 C 43.896105 22.694477 14.766132 1546 C 45.406767 22.580767 14.536967 1547 C 45.720446 21.583375 13.431480 1548 H 47.746283 21.224098 14.008608 1549 H 47.586157 22.385250 12.756135 1550 H 35.926941 26.025573 20.422822 1551 H 36.017418 27.461880 19.361752 1552 H 38.342534 26.296216 21.005559 1553 H 38.438586 27.752810 20.011366 1554 H 37.898043 26.414376 17.962819 1555 H 37.748650 24.952205 18.939261 1556 H 40.311255 26.636466 18.708314 1557 H 40.148415 25.138265 19.622850 1558 H 39.595026 23.911210 17.476758 1559 H 39.808016 25.416048 16.580681 1560 H 42.196885 25.549624 17.377706 1561 H 41.983067 24.035216 18.256379 1562 H 41.530407 22.817581 16.131777 1563 H 41.630396 24.322462 15.217550 1564 H 43.961428 23.187257 16.867533 1565 H 44.017855 24.591585 15.802006 1566 H 43.469923 21.690799 14.944649 1567 H 43.415228 23.070222 13.845297 1568 H 45.907710 22.267047 15.468566 1569 H 45.820334 23.569675 14.278158 1570 H 45.244154 21.861187 12.480314 1571 H 45.396224 20.568227 13.700327 1572 H 47.393328 20.727443 12.425501 1573 N 31.061791 42.442277 7.592477 1574 C 32.719592 35.303258 19.557549 1575 C 33.029185 36.521501 18.694468 1576 C 32.330161 36.473432 17.335840 1577 C 32.668631 37.672330 16.451020 1578 C 31.933608 37.675960 15.111856 1579 C 32.309584 38.859375 14.220593 1580 C 31.568034 38.880247 12.884832 1581 C 31.868504 40.112270 12.031482 1582 C 31.240223 40.049829 10.639272 1583 C 31.458504 41.328859 9.824428 1584 C 30.908988 41.180837 8.413256 1585 H 32.069851 42.750463 7.544440 1586 H 30.484520 43.234458 7.986119 1587 H 33.084687 34.385540 19.072287 1588 H 31.634474 35.211278 19.714215 1589 H 34.120442 36.599100 18.547620 1590 H 32.724238 37.435998 19.232837 1591 H 31.236750 36.425497 17.487442 1592 H 32.605561 35.540164 16.811983 1593 H 32.435475 38.605129 16.996588 1594 H 33.758461 37.693912 16.270715 1595 H 32.139801 36.730859 14.576583 1596 H 30.843653 37.688188 15.295173 1597 H 32.114569 39.801233 14.766409 1598 H 33.398381 38.839479 14.032875 1599 H 31.821070 37.967977 12.314141 1600 H 30.480023 38.827398 13.071415 1601 H 32.961962 40.234733 11.929393 1602 H 31.510750 41.015520 12.557900 1603 H 31.656964 39.184537 10.092952 1604 H 30.156336 39.857866 10.732575 1605 H 32.534592 41.567674 9.777059 1606 H 30.971941 42.180185 10.328867 1607 H 29.834639 40.947332 8.413200 1608 H 31.436703 40.394538 7.855428 1609 H 30.741419 42.285024 6.597811 1610 N 49.537947 40.712814 28.452474 1611 C 36.846106 36.109584 24.630925 1612 C 38.354378 35.902431 24.715047 1613 C 39.074814 37.080772 25.370255 1614 C 40.590788 36.896177 25.421023 1615 C 41.326142 38.034339 26.126342 1616 C 42.844210 37.856756 26.136682 1617 C 43.587882 38.982677 26.853507 1618 C 45.097178 38.761360 26.950519 1619 C 45.846423 39.959243 27.534123 1620 C 47.343886 39.696151 27.723668 1621 C 48.063918 40.946813 28.206038 1622 H 50.018797 40.343954 27.588645 1623 H 49.696372 40.031919 29.244325 1624 H 36.612381 36.982238 24.002569 1625 H 36.426219 36.275226 25.634291 1626 H 38.758965 35.737499 23.701372 1627 H 38.563916 34.980262 25.284992 1628 H 38.687365 37.223596 26.395103 1629 H 38.835518 38.010313 24.822579 1630 H 40.824854 35.942230 25.928288 1631 H 40.978236 36.792209 24.391567 1632 H 41.070294 38.994098 25.640897 1633 H 40.960385 38.114416 27.166326 1634 H 43.093255 36.888994 26.610452 1635 H 43.207280 37.785091 25.095451 1636 H 43.389731 39.937948 26.333751 1637 H 43.174662 39.101694 27.871575 1638 H 45.503638 38.534109 25.948413 1639 H 45.294711 37.866066 27.567281 1640 H 45.702536 40.832801 26.873019 1641 H 45.399268 40.235616 28.505738 1642 H 47.791213 39.357364 26.773742 1643 H 47.490099 38.876819 28.447045 1644 H 47.652659 41.316890 29.156123 1645 H 48.008807 41.755449 27.463750 1646 H 50.023707 41.614574 28.712466 1647 N 47.478873 35.847509 42.467635 1648 C 36.115925 34.002679 34.445363 1649 C 37.212203 33.423877 35.333077 1650 C 38.169806 34.493164 35.858853 1651 C 39.293932 33.913826 36.716487 1652 C 40.228114 34.970863 37.302670 1653 C 41.370123 34.376491 38.126510 1654 C 42.301417 35.426795 38.729951 1655 C 43.387503 34.842571 39.632979 1656 C 44.400660 35.883508 40.109265 1657 C 45.427454 35.314859 41.094083 1658 C 46.474726 36.357151 41.457582 1659 H 47.960165 34.973377 42.124526 1660 H 47.023383 35.639694 43.397738 1661 H 36.553004 34.470502 33.550328 1662 H 35.540293 34.762533 34.994687 1663 H 37.779009 32.664060 34.767535 1664 H 36.749556 32.893938 36.184112 1665 H 37.602530 35.235408 36.448852 1666 H 38.604899 35.049104 35.008628 1667 H 38.855330 33.319482 37.538985 1668 H 39.881756 33.200922 36.110736 1669 H 40.645012 35.587322 36.485097 1670 H 39.642842 35.663055 37.935191 1671 H 40.947445 33.749748 38.933715 1672 H 41.957739 33.691331 37.489032 1673 H 42.773764 36.005241 37.914939 1674 H 41.703652 36.154010 39.308928 1675 H 43.921561 34.037216 39.097014 1676 H 42.913565 34.361396 40.507520 1677 H 44.921443 36.308851 39.232490 1678 H 43.867312 36.725877 40.584996 1679 H 45.923438 34.432416 40.655288 1680 H 44.915595 34.963941 42.005572 1681 H 46.023360 37.254329 41.904891 1682 H 47.061263 36.662649 40.579759 1683 H 48.234526 36.565355 42.642024 1684 N 23.236246 35.996030 48.999637 1685 C 30.733828 33.347356 37.439029 1686 C 29.521645 33.986467 38.107629 1687 C 29.480069 33.735256 39.614938 1688 C 28.246321 34.339504 40.283950 1689 C 28.214629 34.152923 41.799806 1690 C 26.957568 34.727716 42.452174 1691 C 26.923708 34.559600 43.970458 1692 C 25.715783 35.217329 44.637298 1693 C 25.613556 34.915977 46.132495 1694 C 24.460838 35.657934 46.816806 1695 C 24.333606 35.247079 48.276359 1696 H 22.304830 35.872537 48.519340 1697 H 23.448460 37.028699 49.065234 1698 H 30.703507 32.253269 37.553199 1699 H 31.663180 33.723333 37.892276 1700 H 28.599080 33.599195 37.641448 1701 H 29.531451 35.073831 37.916112 1702 H 30.391610 34.150556 40.081252 1703 H 29.508093 32.647626 39.808673 1704 H 28.196221 35.418588 40.049037 1705 H 27.338059 33.892898 39.840882 1706 H 28.295573 33.076742 42.039672 1707 H 29.107527 34.629783 42.243758 1708 H 26.874413 35.800598 42.197116 1709 H 26.067428 34.243152 42.011764 1710 H 26.937762 33.482214 44.217429 1711 H 27.848841 34.980718 44.404239 1712 H 24.788777 34.883379 44.137088 1713 H 25.765659 36.310401 44.483459 1714 H 25.491863 33.826980 46.274405 1715 H 26.564013 35.183397 46.627963 1716 H 23.512984 35.449657 46.291987 1717 H 24.623724 36.746274 46.746497 1718 H 25.256897 35.442949 48.840201 1719 H 24.084323 34.181222 48.374995 1720 H 23.122483 35.636016 49.986640 1721 N 43.296019 21.151283 43.037265 1722 C 34.418704 29.730468 36.368855 1723 C 34.672280 28.638893 37.402797 1724 C 36.143887 28.232633 37.481143 1725 C 36.397616 27.110949 38.487262 1726 C 37.870532 26.730396 38.626313 1727 C 38.106850 25.581835 39.606692 1728 C 39.578906 25.203939 39.764283 1729 C 39.829154 24.121923 40.814515 1730 C 41.281571 23.647021 40.857381 1731 C 41.549918 22.637027 41.977847 1732 C 42.977808 22.114978 41.915534 1733 H 42.625971 20.336160 43.046100 1734 H 43.262080 21.626993 43.979758 1735 H 34.678256 29.373054 35.360951 1736 H 35.025973 30.619697 36.594649 1737 H 34.055888 27.755424 37.162019 1738 H 34.334511 28.990379 38.393508 1739 H 36.753685 29.113567 37.751199 1740 H 36.493050 27.916177 36.481544 1741 H 36.004807 27.412378 39.475675 1742 H 35.815419 26.219749 38.191436 1743 H 38.275195 26.457784 37.634255 1744 H 38.445477 27.615460 38.954728 1745 H 37.687550 25.854437 40.593059 1746 H 37.537083 24.696507 39.271024 1747 H 39.974246 24.866743 38.788600 1748 H 40.159981 26.105679 40.029975 1749 H 39.171368 23.255920 40.618487 1750 H 39.536473 24.505239 41.808684 1751 H 41.544707 23.199720 39.881909 1752 H 41.950102 24.517358 40.983661 1753 H 40.845358 21.791481 41.901097 1754 H 41.365592 23.108746 42.957370 1755 H 43.715582 22.926287 41.994349 1756 H 43.164988 21.562805 40.983872 1757 H 44.266676 20.749190 42.923789 1758 N 21.108131 17.191430 44.399352 1759 C 29.075167 25.911101 36.825021 1760 C 28.897210 24.583278 37.553096 1761 C 27.518651 24.446373 38.199351 1762 C 27.348921 23.134536 38.964269 1763 C 25.957703 22.949329 39.567464 1764 C 25.812590 21.651725 40.362037 1765 C 24.419632 21.449949 40.956632 1766 C 24.241417 20.109880 41.669950 1767 C 22.897541 19.982163 42.387282 1768 C 22.681154 18.601332 43.014991 1769 C 21.381440 18.555302 43.804873 1770 H 21.903334 16.874012 45.016093 1771 H 20.951414 16.464667 43.649020 1772 H 28.998227 26.750656 37.532277 1773 H 28.301753 26.029889 36.051583 1774 H 29.680268 24.480060 38.324195 1775 H 29.053660 23.753946 36.841147 1776 H 26.739130 24.520887 37.419848 1777 H 27.346023 25.296470 38.884038 1778 H 27.568123 22.287681 38.288320 1779 H 28.106160 23.082161 39.767110 1780 H 25.722347 23.809943 40.220305 1781 H 25.204892 22.968638 38.758353 1782 H 26.062919 20.795722 39.708095 1783 H 26.561211 21.639406 41.174766 1784 H 24.202673 22.272882 41.662086 1785 H 23.665122 21.534149 40.153514 1786 H 25.056839 19.968423 42.402171 1787 H 24.347869 19.290319 40.936496 1788 H 22.828898 20.761045 43.167983 1789 H 22.078837 20.191174 41.675660 1790 H 23.525159 18.352331 43.680495 1791 H 22.668014 17.830856 42.226222 1792 H 20.510608 18.792460 43.177054 1793 H 21.400195 19.253753 44.653247 1794 H 20.240892 17.211026 45.002879 1795 N 38.453726 13.084293 40.258624 1796 C 34.429068 25.773548 35.824462 1797 C 34.764714 24.316632 35.525109 1798 C 35.175393 23.538299 36.775050 1799 C 35.551480 22.088049 36.474784 1800 C 35.906929 21.274357 37.717841 1801 C 36.318182 19.836861 37.400584 1802 C 36.660933 19.010178 38.639014 1803 C 36.979270 17.546400 38.335069 1804 C 37.464793 16.767979 39.557858 1805 C 37.685835 15.278945 39.272456 1806 C 38.267363 14.568193 40.485692 1807 H 39.063824 12.897151 39.418248 1808 H 37.528849 12.592947 40.121041 1809 H 35.312077 26.298118 36.219563 1810 H 33.620701 25.834788 36.568288 1811 H 35.576039 24.273303 34.777911 1812 H 33.889843 23.829779 35.059583 1813 H 34.349114 23.559521 37.508290 1814 H 36.027409 24.045951 37.262509 1815 H 34.714535 21.596769 35.945361 1816 H 36.402983 22.072392 35.770936 1817 H 36.723212 21.778993 38.266730 1818 H 35.041514 21.263701 38.405372 1819 H 35.503914 19.341794 36.839408 1820 H 37.188328 19.851313 36.719592 1821 H 37.520318 19.472422 39.158381 1822 H 35.817650 19.055350 39.351901 1823 H 37.747624 17.490956 37.542842 1824 H 36.079987 17.057284 37.919110 1825 H 38.403716 17.220191 39.924998 1826 H 36.733054 16.876946 40.378255 1827 H 38.366330 15.155935 38.412782 1828 H 36.731028 14.808544 38.984315 1829 H 37.616580 14.660704 41.366982 1830 H 39.261578 14.959080 40.743888 1831 H 38.927920 12.633368 41.088403 1832 N 47.068514 16.526912 37.599216 1833 C 36.810267 23.047868 30.590482 1834 C 37.392022 22.535654 31.903522 1835 C 38.740017 21.838981 31.718139 1836 C 39.308724 21.288375 33.025132 1837 C 40.684163 20.641199 32.873584 1838 C 41.224854 20.060546 34.179980 1839 C 42.607197 19.424425 34.041907 1840 C 43.193129 18.928717 35.363772 1841 C 44.504897 18.162621 35.192779 1842 C 45.140372 17.755566 36.526202 1843 C 46.384131 16.907394 36.304957 1844 H 46.409667 16.018508 38.247994 1845 H 47.449946 17.374534 38.101005 1846 H 36.615487 22.210405 29.903680 1847 H 37.511733 23.744152 30.107139 1848 H 36.676522 21.839723 32.374871 1849 H 37.508133 23.380830 32.604472 1850 H 39.461222 22.548060 31.273280 1851 H 38.632901 21.016318 30.988063 1852 H 39.370554 22.104690 33.768050 1853 H 38.601584 20.551385 33.446445 1854 H 40.633481 19.844445 32.108819 1855 H 41.397521 21.389995 32.483481 1856 H 41.259879 20.858530 34.944860 1857 H 40.513257 19.306800 34.562877 1858 H 42.550578 18.583067 33.327159 1859 H 43.301754 20.156684 33.591619 1860 H 42.459143 18.279219 35.874150 1861 H 43.353766 19.790502 36.036447 1862 H 44.320868 17.263161 34.577983 1863 H 45.220664 18.780669 34.621757 1864 H 44.413416 17.190943 37.134459 1865 H 45.399451 18.656718 37.106515 1866 H 47.140055 17.435220 35.706016 1867 H 46.141997 15.959561 35.804051 1868 H 47.882170 15.877481 37.417748 1869 N 29.288249 20.102724 47.665236 1870 C 32.803792 22.561430 34.305873 1871 C 32.119019 23.007024 35.593278 1872 C 32.234133 21.970157 36.710628 1873 C 31.515341 22.394100 37.990642 1874 C 31.668450 21.400173 39.140555 1875 C 30.913472 21.816796 40.402543 1876 C 31.073008 20.836483 41.563630 1877 C 30.399703 21.296454 42.856475 1878 C 30.437428 20.243574 43.964133 1879 C 29.852250 20.744582 45.288554 1880 C 29.814633 19.633126 46.327083 1881 H 28.326746 20.527552 47.573024 1882 H 29.931218 20.814385 48.107814 1883 H 32.326676 21.651481 33.911746 1884 H 33.867245 22.349417 34.491891 1885 H 31.054501 23.215717 35.389127 1886 H 32.561726 23.960949 35.929692 1887 H 33.300940 21.786210 36.931794 1888 H 31.825228 21.004630 36.361609 1889 H 31.893906 23.382155 38.310885 1890 H 30.442002 22.539606 37.772750 1891 H 31.319327 20.403317 38.813993 1892 H 32.741316 21.281888 39.378718 1893 H 31.256598 22.820261 40.716182 1894 H 29.840352 21.926328 40.162692 1895 H 30.665299 19.852599 41.267489 1896 H 32.148753 20.671820 41.756072 1897 H 29.348282 21.567173 42.650805 1898 H 30.886878 22.222794 43.210765 1899 H 29.886284 19.346407 43.629172 1900 H 31.480242 19.917348 44.126868 1901 H 28.832083 21.132841 45.128062 1902 H 30.451972 21.589717 45.665439 1903 H 30.814423 19.219712 46.522681 1904 H 29.152865 18.812676 46.015876 1905 H 29.202939 19.294437 48.340602 1906 N 18.358933 43.211919 37.244664 1907 C 24.424172 30.562543 36.956504 1908 C 23.570300 31.631809 36.283862 1909 C 23.379125 32.869796 37.160022 1910 C 22.491068 33.928079 36.507169 1911 C 22.335654 35.199701 37.339309 1912 C 21.414640 36.234464 36.693418 1913 C 21.264913 37.516511 37.511052 1914 C 20.422755 38.591482 36.824338 1915 C 20.155930 39.807321 37.711703 1916 C 19.398587 40.924707 36.986848 1917 C 19.064355 42.066139 37.935908 1918 H 17.477300 42.887390 36.764169 1919 H 18.981858 43.677289 36.529723 1920 H 23.934847 30.200258 37.873179 1921 H 25.410526 30.971561 37.221641 1922 H 22.585789 31.205337 36.024457 1923 H 24.040664 31.925935 35.329196 1924 H 24.365361 33.310228 37.392797 1925 H 22.942908 32.571235 38.130504 1926 H 22.904989 34.190080 35.516135 1927 H 21.493953 33.494335 36.311383 1928 H 21.950783 34.938213 38.342179 1929 H 23.331467 35.649749 37.505351 1930 H 21.796608 36.481412 35.685369 1931 H 20.417990 35.783800 36.536231 1932 H 20.818604 37.271945 38.492352 1933 H 22.266963 37.928283 37.729491 1934 H 19.457634 38.158369 36.504924 1935 H 20.930671 38.914848 35.897828 1936 H 19.584926 39.487054 38.601787 1937 H 21.114626 40.203817 38.091256 1938 H 18.467958 40.527048 36.547488 1939 H 20.004408 41.301433 36.146005 1940 H 19.966247 42.497226 38.393622 1941 H 18.388635 41.738575 38.738421 1942 H 18.073340 43.953199 37.941564 1943 N 20.687216 49.485105 39.490314 1944 C 24.670965 38.001819 32.480266 1945 C 24.724736 38.866481 33.734994 1946 C 23.868905 40.127697 33.617938 1947 C 23.950602 41.018013 34.857087 1948 C 23.055783 42.254138 34.786918 1949 C 23.175404 43.155921 36.015191 1950 C 22.272589 44.387430 35.961337 1951 C 22.317011 45.240957 37.228572 1952 C 21.528264 46.544691 37.105943 1953 C 21.491167 47.348577 38.409757 1954 C 20.787526 48.683095 38.211654 1955 H 21.638334 49.651308 39.916018 1956 H 20.076695 49.002836 40.204757 1957 H 25.075398 38.551504 31.616979 1958 H 23.632663 37.712883 32.259061 1959 H 25.772005 39.146802 33.942550 1960 H 24.386683 38.271734 34.601674 1961 H 22.816678 39.841657 33.439536 1962 H 24.181878 40.704816 32.728984 1963 H 23.682058 40.424657 35.750360 1964 H 24.998710 41.332723 35.009181 1965 H 23.300506 42.834211 33.878140 1966 H 22.004012 41.935588 34.668351 1967 H 22.943412 42.566873 36.921968 1968 H 24.226366 43.478883 36.126052 1969 H 22.555137 45.007684 35.091046 1970 H 21.230701 44.067493 35.778350 1971 H 23.366932 45.476053 37.480496 1972 H 21.926724 44.651731 38.077956 1973 H 21.969717 47.160100 36.301423 1974 H 20.494719 46.321226 36.786231 1975 H 22.517433 47.524351 38.774615 1976 H 20.977226 46.766309 39.192565 1977 H 19.756323 48.554445 37.852736 1978 H 21.327664 49.321855 37.498803 1979 H 20.263354 50.435430 39.306056 1980 N 8.981473 33.704372 39.393199 1981 C 22.222166 32.864576 34.826398 1982 C 20.905449 33.627485 34.921811 1983 C 19.840934 32.867820 35.713349 1984 C 18.506734 33.609802 35.778150 1985 C 17.446253 32.897285 36.615607 1986 C 16.105093 33.629966 36.640998 1987 C 15.042119 32.932891 37.488795 1988 C 13.730464 33.710409 37.595553 1989 C 12.627720 32.937080 38.318603 1990 C 11.348037 33.757005 38.512692 1991 C 10.246783 32.914979 39.140006 1992 H 8.620306 34.147497 38.506255 1993 H 9.133919 34.462945 40.112273 1994 H 22.078411 31.915439 34.288384 1995 H 22.610345 32.644313 35.832025 1996 H 20.530574 33.840446 33.905667 1997 H 21.086442 34.608058 35.395999 1998 H 20.208766 32.682672 36.738652 1999 H 19.686141 31.871299 35.261415 2000 H 18.672981 34.623281 36.187221 2001 H 18.124254 33.758667 34.752355 2002 H 17.299358 31.872245 36.228354 2003 H 17.818091 32.779531 37.649835 2004 H 16.260557 34.658807 37.015649 2005 H 15.732561 33.738842 35.606359 2006 H 14.841334 31.930505 37.068242 2007 H 15.442244 32.759475 38.504275 2008 H 13.377597 33.982631 36.584392 2009 H 13.915455 34.665870 38.118848 2010 H 12.398374 32.017784 37.750129 2011 H 12.998319 32.601566 39.303718 2012 H 11.001662 34.152137 37.542571 2013 H 11.558898 34.632682 39.148843 2014 H 10.548151 32.504470 40.114381 2015 H 9.954277 32.081562 38.485957 2016 H 8.213149 33.076904 39.757463 2017 N 26.067175 52.325048 26.240699 2018 C 29.827460 39.766849 31.243577 2019 C 28.824275 40.913042 31.174762 2020 C 29.289279 42.048425 30.262900 2021 C 28.306208 43.217479 30.221536 2022 C 28.721455 44.337453 29.269244 2023 C 27.749972 45.517450 29.265748 2024 C 28.148659 46.636411 28.304725 2025 C 27.131052 47.774267 28.226405 2026 C 27.608826 48.953847 27.379525 2027 C 26.547358 50.047224 27.220302 2028 C 27.101810 51.243783 26.461280 2029 H 25.651801 52.652334 27.153834 2030 H 25.285033 51.992475 25.613486 2031 H 30.779953 40.114774 31.670995 2032 H 30.018651 39.364950 30.237391 2033 H 28.643746 41.303869 32.191175 2034 H 27.854256 40.526716 30.815658 2035 H 29.440411 41.658849 29.240052 2036 H 30.277670 42.410612 30.599299 2037 H 27.307549 42.843565 29.930005 2038 H 28.187817 43.628109 31.240394 2039 H 29.732949 44.693170 29.538680 2040 H 28.806618 43.931049 28.244874 2041 H 26.737598 45.153402 29.009593 2042 H 27.673394 45.926191 30.289554 2043 H 29.131068 47.042879 28.607392 2044 H 28.295367 46.213602 27.294238 2045 H 26.896281 48.132329 29.245101 2046 H 26.181580 47.385622 27.816012 2047 H 28.518960 49.382139 27.836791 2048 H 27.911316 48.591581 26.380713 2049 H 26.189723 50.373876 28.211583 2050 H 25.669817 49.640932 26.690389 2051 H 27.465570 50.963850 25.462251 2052 H 27.924380 51.723527 27.010049 2053 H 26.500200 53.171682 25.779801 2054 N 12.647135 46.345613 24.997542 2055 C 24.055336 39.186143 28.930961 2056 C 23.165765 39.747781 27.827285 2057 C 21.949450 40.494770 28.374459 2058 C 21.033211 41.025329 27.272714 2059 C 19.842945 41.827686 27.795323 2060 C 18.913639 42.320003 26.686183 2061 C 17.728061 43.136833 27.197833 2062 C 16.849824 43.712158 26.086946 2063 C 15.587935 44.398569 26.609784 2064 C 14.762497 45.061353 25.502128 2065 C 13.467198 45.638505 26.053834 2066 H 12.427578 45.705228 24.188115 2067 H 13.144671 47.200502 24.626910 2068 H 23.503140 38.447353 29.531171 2069 H 24.397815 39.994150 29.594527 2070 H 22.831714 38.925228 27.171353 2071 H 23.759718 40.427793 27.191720 2072 H 22.288904 41.334999 29.006610 2073 H 21.374720 39.826087 29.040650 2074 H 21.621942 41.656087 26.581586 2075 H 20.665813 40.177560 26.666898 2076 H 19.268909 41.210420 28.510665 2077 H 20.213725 42.694068 28.372956 2078 H 19.496065 42.924760 25.966395 2079 H 18.538636 41.450927 26.115926 2080 H 17.111366 42.505199 27.863175 2081 H 18.100958 43.964632 27.827970 2082 H 16.559982 42.906230 25.388704 2083 H 17.441092 44.430646 25.491009 2084 H 14.967224 43.656364 27.143374 2085 H 15.866645 45.159044 27.361026 2086 H 14.530921 44.326581 24.712366 2087 H 15.353989 45.858877 25.022485 2088 H 13.651839 46.381998 26.842427 2089 H 12.816720 44.852022 26.461566 2090 H 11.721843 46.668233 25.393118 2091 N 10.867696 40.535837 38.859406 2092 C 20.773942 35.163486 30.499921 2093 C 19.891072 36.335315 30.914927 2094 C 18.966006 35.990980 32.082191 2095 C 18.050614 37.149261 32.476232 2096 C 17.159861 36.847719 33.680085 2097 C 16.222114 37.999717 34.040235 2098 C 15.337656 37.713516 35.252839 2099 C 14.467826 38.897287 35.675273 2100 C 13.481620 38.553432 36.791537 2101 C 12.683084 39.765836 37.281384 2102 C 11.643768 39.357101 38.314845 2103 H 10.397003 41.077337 38.085652 2104 H 11.490579 41.194042 39.402114 2105 H 20.156930 34.323379 30.147079 2106 H 21.381002 34.821592 31.351432 2107 H 19.289876 36.665758 30.050172 2108 H 20.529965 37.192058 31.192319 2109 H 19.573125 35.689060 32.954587 2110 H 18.352495 35.110183 31.819394 2111 H 18.665477 38.042032 32.693082 2112 H 17.418521 37.422222 31.612138 2113 H 16.565615 35.937381 33.479064 2114 H 17.795530 36.607622 34.551887 2115 H 16.820969 38.910659 34.226254 2116 H 15.582791 38.231725 33.169284 2117 H 14.692050 36.843130 35.034720 2118 H 15.973879 37.411418 36.104505 2119 H 13.907121 39.275690 34.801494 2120 H 15.118445 39.729051 36.000585 2121 H 12.788518 37.770998 36.433387 2122 H 14.028615 38.109533 37.642488 2123 H 12.182000 40.257255 36.430112 2124 H 13.368191 40.513710 37.714139 2125 H 12.101455 38.866849 39.186009 2126 H 10.894315 38.677175 37.885959 2127 H 10.104995 40.213203 39.515853 2128 N 21.551690 48.912508 16.440409 2129 C 23.373023 38.110334 25.208115 2130 C 22.461048 39.153057 24.571006 2131 C 23.201920 40.063575 23.591783 2132 C 22.301381 41.136032 22.980477 2133 C 23.006594 42.019411 21.952885 2134 C 22.105984 43.112049 21.377366 2135 C 22.798000 43.991504 20.337049 2136 C 21.874945 45.023126 19.688901 2137 C 22.609444 45.992567 18.762845 2138 C 21.667878 46.959585 18.037683 2139 C 22.449522 47.970331 17.211417 2140 H 20.888631 49.424001 17.082437 2141 H 20.986765 48.400178 15.709569 2142 H 24.160651 38.599323 25.801002 2143 H 23.848591 37.492597 24.431764 2144 H 21.992349 39.763032 25.362638 2145 H 21.635413 38.642038 24.045340 2146 H 23.644537 39.451738 22.785203 2147 H 24.051378 40.546775 24.107728 2148 H 21.428430 40.651519 22.505794 2149 H 21.891631 41.769084 23.787977 2150 H 23.898030 42.481719 22.415340 2151 H 23.386396 41.387395 21.129439 2152 H 21.209553 42.644750 20.928939 2153 H 21.734591 43.746650 22.202267 2154 H 23.652802 44.509374 20.809360 2155 H 23.231991 43.350111 19.548606 2156 H 21.353135 45.598989 20.474500 2157 H 21.084235 44.498819 19.122472 2158 H 23.349417 46.564344 19.351384 2159 H 23.189791 45.420911 18.016673 2160 H 21.036443 47.491994 18.769172 2161 H 20.981237 46.393697 17.386334 2162 H 23.090107 47.481740 16.463301 2163 H 23.079631 48.609033 17.846196 2164 H 22.120749 49.647829 15.938210 2165 N 27.153627 46.436639 44.433055 2166 C 27.229687 35.270654 35.936477 2167 C 26.747105 35.955904 37.210219 2168 C 27.324128 37.361583 37.377328 2169 C 26.875527 38.037694 38.672109 2170 C 27.391447 39.466756 38.830995 2171 C 26.967778 40.118196 40.147166 2172 C 27.466212 41.553489 40.308677 2173 C 26.965106 42.241495 41.578286 2174 C 27.588036 43.619123 41.804084 2175 C 27.008925 44.347417 43.021358 2176 C 27.730673 45.664148 43.267497 2177 H 27.163181 45.862104 45.318088 2178 H 26.161974 46.745985 44.241549 2179 H 28.321852 35.138219 35.961331 2180 H 26.967890 35.874286 35.054673 2181 H 27.017106 35.337808 38.083997 2182 H 25.644338 36.009931 37.199086 2183 H 27.026760 37.985021 36.514934 2184 H 28.427847 37.312932 37.350963 2185 H 25.770947 38.042543 38.716819 2186 H 27.208572 37.430238 39.532796 2187 H 28.494452 39.470031 38.756022 2188 H 27.029002 40.080398 37.986108 2189 H 25.864630 40.099241 40.222995 2190 H 27.338533 39.506540 40.989503 2191 H 28.571597 41.557611 40.300933 2192 H 27.156070 42.147775 39.430034 2193 H 27.175571 41.601682 42.454307 2194 H 25.865292 42.336858 41.530540 2195 H 28.680859 43.506843 41.922412 2196 H 27.441547 44.241716 40.903373 2197 H 27.091274 43.709539 43.917781 2198 H 25.932751 44.532690 42.868117 2199 H 27.668896 46.335084 42.398715 2200 H 28.790694 45.503862 43.509543 2201 H 27.721707 47.306577 44.625983 2202 N 27.742077 25.568607 51.450519 2203 C 27.886530 29.158681 37.887061 2204 C 28.625596 28.948629 39.204078 2205 C 27.700209 28.492891 40.332253 2206 C 28.428479 28.319419 41.664302 2207 C 27.534979 27.805969 42.791984 2208 C 28.265822 27.673327 44.127818 2209 C 27.384215 27.145754 45.258758 2210 C 28.133885 26.920280 46.571589 2211 C 27.216071 26.536776 47.732375 2212 C 27.980464 26.213284 49.020240 2213 C 27.024250 25.940831 50.172069 2214 H 28.430378 26.315401 51.736892 2215 H 28.258400 24.652208 51.353721 2216 H 27.135595 29.956399 37.990628 2217 H 27.376926 28.232392 37.582469 2218 H 29.130858 29.886043 39.494588 2219 H 29.423913 28.199951 39.058101 2220 H 27.219150 27.539266 40.049392 2221 H 26.879532 29.222911 40.453984 2222 H 29.277367 27.624563 41.527617 2223 H 28.875329 29.285072 41.961871 2224 H 26.668243 28.481843 42.911193 2225 H 27.115797 26.824126 42.505580 2226 H 29.139575 27.007733 43.999030 2227 H 28.676638 28.658172 44.414912 2228 H 26.550181 27.851016 45.428893 2229 H 26.916329 26.195663 44.942866 2230 H 28.693877 27.834204 46.840327 2231 H 28.893973 26.131643 46.425704 2232 H 26.504766 27.361524 47.918666 2233 H 26.602446 25.664575 47.444114 2234 H 28.646233 27.052166 49.285331 2235 H 28.631108 25.337894 48.858031 2236 H 26.343759 25.105752 49.952243 2237 H 26.421422 26.827384 50.414035 2238 H 27.057662 25.460102 52.248347 2239 N 23.430668 7.005742 31.749091 2240 C 25.711450 19.774929 26.399066 2241 C 26.081330 18.672409 27.385226 2242 C 25.169783 17.450556 27.271329 2243 C 25.510707 16.358710 28.284478 2244 C 24.651365 15.103031 28.148711 2245 C 24.976124 14.034132 29.191863 2246 C 24.132169 12.767829 29.054725 2247 C 24.518898 11.659547 30.033763 2248 C 23.574324 10.458427 29.989280 2249 C 24.022217 9.308745 30.897662 2250 C 22.999706 8.181915 30.901071 2251 H 23.629718 7.300046 32.742688 2252 H 24.292381 6.538134 31.355977 2253 H 24.695786 20.146959 26.601560 2254 H 25.747955 19.393624 25.367679 2255 H 26.040170 19.071329 28.413623 2256 H 27.128570 18.367237 27.214061 2257 H 25.236658 17.037120 26.248868 2258 H 24.117753 17.761262 27.405314 2259 H 26.576207 16.083597 28.178914 2260 H 25.405190 16.766056 29.306066 2261 H 23.583270 15.378533 28.223014 2262 H 24.784625 14.678693 27.136815 2263 H 26.048507 13.772982 29.122279 2264 H 24.834176 14.459264 30.201926 2265 H 23.065989 13.024589 29.193610 2266 H 24.217882 12.383064 28.022260 2267 H 24.540891 12.064177 31.061801 2268 H 25.550094 11.326600 29.817552 2269 H 22.558928 10.786078 30.276477 2270 H 23.493583 10.091607 28.950393 2271 H 24.168438 9.675999 31.927705 2272 H 25.000232 8.926533 30.560971 2273 H 22.826868 7.781035 29.892026 2274 H 22.036581 8.512601 31.314544 2275 H 22.669243 6.274257 31.792575 2276 N 13.532286 28.294790 9.539205 2277 C 24.895349 28.887395 17.749349 2278 C 23.561553 29.472715 17.298503 2279 C 22.902423 28.651027 16.190717 2280 C 21.584781 29.255012 15.707139 2281 C 20.878110 28.418006 14.642398 2282 C 19.581292 29.051675 14.139504 2283 C 18.858974 28.214386 13.085088 2284 C 17.514378 28.796564 12.649776 2285 C 16.873117 28.033255 11.490885 2286 C 15.480684 28.557203 11.124629 2287 C 14.928118 27.838747 9.902427 2288 H 13.497795 29.336933 9.377282 2289 H 12.834023 28.046350 10.291834 2290 H 25.615492 28.886075 16.917258 2291 H 24.760273 27.853375 18.100121 2292 H 23.714731 30.509010 16.950565 2293 H 22.880076 29.535440 18.164988 2294 H 22.724221 27.622670 16.553417 2295 H 23.598594 28.556085 15.337727 2296 H 20.908172 29.391950 16.570602 2297 H 21.774385 30.268476 15.310096 2298 H 21.562712 28.252884 13.790162 2299 H 20.659650 27.415516 15.053551 2300 H 18.906479 29.227443 14.997862 2301 H 19.804560 30.050153 13.722004 2302 H 19.512776 28.099965 12.201116 2303 H 18.699982 27.193362 13.477013 2304 H 17.645569 29.854095 12.357395 2305 H 16.824791 28.804677 13.513124 2306 H 17.536429 28.090604 10.609072 2307 H 16.802617 26.961649 11.749841 2308 H 15.525335 29.641391 10.925166 2309 H 14.795801 28.425092 11.978702 2310 H 14.860937 26.752716 10.059828 2311 H 15.545275 28.024493 9.012180 2312 H 13.206833 27.834586 8.645325 2313 N 9.155313 23.647083 15.557886 2314 C 19.150043 28.981262 23.836096 2315 C 18.460348 28.910907 22.478066 2316 C 17.297483 27.918839 22.459056 2317 C 16.627956 27.814707 21.089488 2318 C 15.424585 26.874065 21.062586 2319 C 14.787486 26.749045 19.678876 2320 C 13.573362 25.822040 19.644910 2321 C 12.875391 25.768969 18.286092 2322 C 11.757209 24.728542 18.222316 2323 C 10.994182 24.748247 16.893807 2324 C 9.964112 23.629804 16.836087 2325 H 9.777949 23.592981 14.707671 2326 H 8.560156 24.516797 15.486227 2327 H 19.591693 28.006856 24.093897 2328 H 18.427552 29.258661 24.618108 2329 H 19.198350 28.632211 21.705984 2330 H 18.091611 29.915098 22.204619 2331 H 16.547451 28.218413 23.213068 2332 H 17.658334 26.921339 22.768958 2333 H 16.310153 28.821563 20.761828 2334 H 17.372826 27.477869 20.346244 2335 H 15.731738 25.873643 21.419046 2336 H 14.666654 27.232324 21.782966 2337 H 14.495329 27.754061 19.321621 2338 H 15.545699 26.383150 18.963092 2339 H 13.885818 24.802727 19.937017 2340 H 12.846182 26.146059 20.411459 2341 H 13.617230 25.551128 17.496605 2342 H 12.465086 26.767074 18.048604 2343 H 12.187354 23.724667 18.389877 2344 H 11.048159 24.898518 19.052209 2345 H 11.699079 24.643057 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0.000000 58.171682 0.000000 320 0.1818 3. axis: yes 0.000000 0.000000 57.248347 320 0.1789 log10-error: total iterations: time wfs density energy fermi poisson iter: 1 19:35:25 +inf -320760.829170 3 20 iter: 2 19:36:13 +0.09 -91343.810933 42 15 iter: 3 19:37:02 -0.14 -2584.223819 45 14 iter: 4 19:37:50 -0.50 8642.955179 41 12 iter: 5 19:38:36 -0.91 8516.553634 40 11 iter: 6 19:39:22 -0.92 8577.535382 38 9 iter: 7 19:40:08 -0.95 8837.110531 37 11 iter: 8 19:40:58 -1.07 9004.396239 37 11 iter: 9 19:41:45 -1.17 8885.241333 41 12 iter: 10 19:42:32 -1.10 9071.945617 39 8 iter: 11 19:43:18 -1.21 9158.139802 37 9 iter: 12 19:44:03 -1.28 9170.681368 4 8 iter: 13 19:44:48 -1.29 9123.868036 40 10 iter: 14 19:45:35 -1.22 9174.901610 4 8 iter: 15 19:46:21 -1.29 9225.423892 39 8 Converged after 15 iterations. Energy contributions relative to reference atoms: (reference = -75830350.804790) Kinetic: +1022.548248 Potential: -5066.510012 External: +0.000000 XC: +11348.309703 Entropy (-ST): -4.643761 Local: +1923.397834 -------------------------- Free energy: +9223.102012 Extrapolated: +9225.423892 Non-local vdW-DF-CX correlation energy: 910.979017 Semilocal GGA_X_LV_RPW86+LDA_C_PW energy: -61776.463806 (Not including atomic contributions) Fermi level: 0.82719 Band Eigenvalues Occupancy 0 -26.90121 2.00000 1 -26.80417 2.00000 2 -26.72678 2.00000 3 -26.71122 2.00000 4 -26.61168 2.00000 5 -26.49917 2.00000 6 -26.43130 2.00000 7 -26.36129 2.00000 8 -26.31256 2.00000 9 -26.26906 2.00000 10 -26.24763 2.00000 11 -26.16309 2.00000 12 -26.12557 2.00000 13 -26.08181 2.00000 14 -25.98684 2.00000 15 -25.76735 2.00000 16 -25.73821 2.00000 17 -25.70537 2.00000 18 -25.63611 2.00000 19 -25.62189 2.00000 20 -25.58558 2.00000 21 -25.57833 2.00000 22 -25.51445 2.00000 23 -25.45482 2.00000 24 -25.42996 2.00000 25 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0.00000 3336 2.28874 0.00000 3337 2.29670 0.00000 3338 2.30517 0.00000 3339 2.31328 0.00000 3340 2.32450 0.00000 3341 2.33037 0.00000 3342 2.33130 0.00000 3343 2.33526 0.00000 3344 2.33595 0.00000 3345 2.33614 0.00000 3346 2.34854 0.00000 3347 2.35766 0.00000 3348 2.36079 0.00000 3349 2.36155 0.00000 3350 2.36199 0.00000 3351 2.36653 0.00000 3352 2.36909 0.00000 3353 2.38086 0.00000 3354 2.38467 0.00000 3355 2.39564 0.00000 3356 2.39793 0.00000 3357 2.41021 0.00000 3358 2.41709 0.00000 3359 2.41951 0.00000 Timing: incl. excl. ----------------------------------------------------------- Basic WFS set positions: 0.351 0.351 0.0% | Basis functions set positions: 2.567 2.567 0.3% | LCAO WFS Initialize: 23.557 6.659 0.9% | Hamiltonian: 16.898 0.000 0.0% | Atomic: 0.993 0.154 0.0% | XC Correction: 0.839 0.839 0.1% | Calculate atomic Hamiltonians: 0.202 0.202 0.0% | Communicate: 0.029 0.029 0.0% | Hartree integrate/restrict: 1.151 1.151 0.1% | Initialize Hamiltonian: 0.009 0.009 0.0% | Poisson: 5.217 5.217 0.7% | XC 3D grid: 9.292 0.498 0.1% | van der Waals: 8.794 8.324 1.1% | semilocal: 0.470 0.470 0.1% | vbar: 0.005 0.005 0.0% | SCF-cycle: 684.855 0.512 0.1% | Density: 89.593 0.001 0.0% | Atomic density matrices: 7.052 7.052 0.9% | Mix: 14.414 14.414 1.8% || Multipole moments: 0.189 0.189 0.0% | Normalize: 0.260 0.260 0.0% | Pseudo density: 67.677 3.171 0.4% | Calculate density matrix: 43.347 43.347 5.6% |-| Construct density: 21.158 21.158 2.7% || Symmetrize density: 0.001 0.001 0.0% | Hamiltonian: 198.565 0.004 0.0% | Atomic: 14.065 2.270 0.3% | XC Correction: 11.795 11.795 1.5% || Calculate atomic Hamiltonians: 1.783 1.783 0.2% | Communicate: 0.333 0.333 0.0% | Hartree integrate/restrict: 7.703 7.703 1.0% | Poisson: 49.452 49.452 6.3% |--| XC 3D grid: 125.156 6.680 0.9% | van der Waals: 118.476 111.913 14.4% |-----| semilocal: 6.562 6.562 0.8% | vbar: 0.070 0.070 0.0% | LCAO eigensolver: 396.184 0.013 0.0% | Blacs Orbital Layouts: 302.553 0.019 0.0% | General diagonalize: 301.966 301.966 38.7% |--------------| Redistribute coefs: 0.447 0.447 0.1% | Send coefs to domains: 0.122 0.122 0.0% | Calculate projections: 39.792 39.792 5.1% |-| Distribute overlap matrix: 24.671 0.017 0.0% | Scalapack redistribute: 20.805 20.805 2.7% || blocked summation: 3.849 3.849 0.5% | DistributedAtomicCorrection: 17.046 17.046 2.2% || Potential matrix: 12.110 12.110 1.6% || Scalapack redistribute: 3.334 3.334 0.4% | Set symmetry: 0.234 0.234 0.0% | TCI: Calculate S, T, P: 52.199 52.199 6.7% |--| TCI: Evaluate splines: 1.694 1.694 0.2% | blocked summation: 4.522 4.522 0.6% | Other: 6.138 6.138 0.8% | ----------------------------------------------------------- Total: 779.450 100.0% Memory usage: 1.77 GiB Date: Thu Jan 12 19:46:21 2017