NOSYM -10 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Jun24-2023 01:42:07 Hydrogen (TZP) SINGLE POINT DFT M06-L == Not Default == TZP TZP 2270.47268 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Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.O ADF 2019 Jun24-2023 01:42:06 1 1 Oxygen TZP t21.Nb ADF 2019 Jun24-2023 01:42:04 1 1 t21.H ADF 2019 Jun24-2023 01:42:03 1 1 Hydrogen TZP 2805.34 34.32 2864.67 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -5.960 -5.950 -5.922 -5.900 -5.882 -5.835 -5.816 -5.792 -5.682 -5.644 -2.356 -2.146 -2.101 -2.013 -1.810 -1.705 -1.674 -1.660 -1.616 -1.550 A A A A A A A A A A A A A A A A A A A A 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 O O O O O O O O O O Nb Nb H Nb O Nb Nb O O Nb O O H Nb Nb Nb O O H O O O Nb Nb Nb H Nb Nb Nb O O Nb O O O O O O O O O O H O O 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26.86 8.99 8.32 7.06 6.90 5.55 3.77 3.66 2.98 2.82 2.68 2.46 2.25 1.91 1.24 1.13 1.13 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2 32 19 6 14 47 23 17 10 40 26 15 41 11 49 33 37 O O O O O O O O O O O O O O O O O -23.298 2.00 360 A 26.24 14.23 9.82 8.18 7.96 6.87 4.75 3.39 2.70 1.76 1.68 1.21 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 37 33 3 35 44 24 31 12 36 2 40 21 O O O O O O O O O O O O -23.279 2.00 361 A 27.85 15.53 11.45 9.00 8.97 6.39 5.04 2.37 2.13 2.05 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 2.00 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1.24 1.13 1.01 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S S -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 15 11 2 36 21 47 20 10 35 6 40 24 23 26 12 29 19 31 17 33 O O O O O O O O O O O O O O O O O O O O -23.107 2.00 365 A 37.00 17.06 15.34 8.26 5.85 3.41 2.34 1.84 1.49 1.43 1.32 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S D:yz D:xz S -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -2.893 -2.893 -25.716 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00 3 37 33 20 44 42 36 35 61 61 12 O O O O O O O O Nb Nb O -23.103 2.00 366 A 36.64 32.00 8.77 4.98 3.23 2.58 1.32 1.13 1.12 1.00 2 2 2 2 2 2 2 2 2 2 S S S S S S D:xz S S D:xz -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -2.893 -25.716 -25.716 -2.893 2.00 2.00 2.00 2.00 2.00 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3 2 2 2 S D:yz P:z S S D:z2 -25.716 -2.893 -35.791 -25.716 -25.716 -2.893 2.00 0.80 2.00 2.00 2.00 0.80 1 53 53 33 3 53 O Nb Nb O O Nb -22.759 2.00 373 A 36.43 30.38 14.75 6.87 1.94 1.79 2 2 2 2 2 2 S S S S S S -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 2.00 2.00 2.00 2.00 2.00 2.00 15 10 14 47 11 19 O O O O O O -22.749 2.00 374 A 39.65 29.65 13.13 5.48 3.54 1.12 2 2 2 2 2 2 S S S S S S -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 2.00 2.00 2.00 2.00 2.00 2.00 33 3 20 12 1 42 O O O O O O -22.697 2.00 375 A 42.40 27.42 18.32 2.42 2 2 2 2 S S S S -25.716 -25.716 -25.716 -25.716 2.00 2.00 2.00 2.00 21 42 36 29 O O O O -22.498 2.00 376 A 66.31 23.96 2.17 1.13 2 2 2 3 S S D:xz P:z -25.716 -25.716 -2.893 -35.791 2.00 2.00 0.80 2.00 25 4 65 65 O O Nb Nb -22.481 2.00 377 A 46.66 18.52 18.00 4.18 1.77 1.64 1.06 2 2 2 2 2 2 3 S S S S D:xz S P:x -25.716 -25.716 -25.716 -25.716 -2.893 -25.716 -35.791 2.00 2.00 2.00 2.00 0.80 2.00 2.00 4 9 25 8 51 11 51 O O O O Nb O Nb -22.458 2.00 378 A 38.68 22.47 18.01 7.91 1.94 1.36 1.17 2 2 2 2 2 2 3 S S S S S S P:y -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -35.791 2.00 2.00 2.00 2.00 2.00 2.00 2.00 9 30 46 8 4 41 57 O O O O O O Nb -22.453 2.00 379 A 24.99 21.21 20.09 19.45 2.84 1.87 2 2 2 2 2 2 S S S S S S -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 2.00 2.00 2.00 2.00 2.00 2.00 30 8 46 9 4 41 O O O O O O -22.421 2.00 380 A 84.64 5.69 3.38 1.43 1.38 1.02 2 2 2 3 3 2 S S D:xy P:x P:y D:z2 -25.716 -25.716 -2.893 -35.791 -35.791 -2.893 2.00 2.00 0.80 2.00 2.00 0.80 18 45 61 61 61 61 O O Nb Nb Nb Nb -22.405 2.00 381 A 56.44 13.70 10.93 4.56 4.00 1.97 1.12 1.01 2 2 2 2 2 2 3 2 S S S S S D:xz P:z S -25.716 -25.716 -25.716 -25.716 -25.716 -2.893 -35.791 -25.716 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 8 9 4 25 49 62 62 30 O O O O O Nb Nb O -22.402 2.00 382 A 78.95 4.38 4.04 1.77 1.65 1.49 1.27 1.04 1.02 2 2 2 2 2 2 2 2 3 S S S D:xz S D:xy S D:yz P:x -25.716 -25.716 -25.716 -2.893 -25.716 -2.893 -25.716 -2.893 -35.791 2.00 2.00 2.00 0.80 2.00 0.80 2.00 0.80 2.00 45 13 18 64 16 64 43 64 64 O O O Nb O Nb O Nb Nb -22.363 2.00 383 A 64.39 23.34 2.26 1.83 1.48 2 2 2 2 3 S S S D:yz P:z -25.716 -25.716 -25.716 -2.893 -35.791 2.00 2.00 2.00 0.80 2.00 13 16 43 59 59 O O O Nb Nb -22.348 2.00 384 A 46.47 35.24 7.92 1.18 1.03 2 2 2 2 2 S S S D:yz D:xz -25.716 -25.716 -25.716 -2.893 -2.893 2.00 2.00 2.00 0.80 0.80 16 43 13 55 54 O O O Nb Nb -22.280 2.00 385 A 50.42 18.12 13.19 5.07 3.95 1.60 1.14 1.12 2 2 2 2 2 2 3 2 S S S S S S P:z D:yz -25.716 -25.716 -25.716 -25.716 -25.716 -25.716 -35.791 -2.893 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 43 16 13 24 45 18 55 55 O O O O O O Nb Nb -22.236 2.00 386 A 51.58 38.56 3.33 3.13 1.32 2 2 2 3 2 S S D:xz P:z S -25.716 -25.716 -2.893 -35.791 -25.716 2.00 2.00 0.80 2.00 2.00 46 30 60 60 39 O O Nb Nb O -12.093 2.00 387 A 31.75 13.84 11.70 10.77 3.22 2.98 2.31 1.43 1.34 1.33 1.25 1.18 1.11 1.04 1 1 1 1 2 2 1 1 2 1 1 2 1 2 P:z P:y P:x S S S P:x P:z D:xz P:x P:z D:yz P:y D:xy -9.150 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1.27 1 1 1 1 1 1 2 1 2 2 1 2 1 1 1 2 P:y P:x P:x P:z S P:x S P:x D:xz S S D:z2 P:z P:y S D:z2 -9.150 -9.150 -9.150 -9.150 -6.607 -9.150 3.434 -9.150 -2.893 -25.716 -6.607 -2.893 -9.150 -9.150 -6.607 -2.893 1.33 1.33 1.33 1.33 1.00 1.33 0.00 1.33 0.80 2.00 1.00 0.80 1.33 1.33 1.00 0.80 39 39 38 27 67 30 67 27 53 39 70 53 39 30 69 60 O O O O H O H O Nb O H Nb O O H Nb -10.986 2.00 393 A 17.55 17.34 10.64 9.20 4.83 3.77 3.38 2.41 1.99 1.89 1.78 1.70 1.48 1.35 1.28 1.19 1.10 1.10 1.08 1.05 1 1 1 1 1 2 1 1 2 1 2 2 1 1 1 2 2 2 2 1 P:z P:z P:y P:x S D:xz S P:x S P:y S D:xz P:x P:z P:y D:z2 D:x2-y2 S S P:z -9.150 -9.150 -9.150 -9.150 -6.607 -2.893 -6.607 -9.150 -25.716 -9.150 3.434 -2.893 -9.150 -9.150 -9.150 -2.893 -2.893 3.434 -25.716 -9.150 1.33 1.33 1.33 1.33 1.00 0.80 1.00 1.33 2.00 1.33 0.00 0.80 1.33 1.33 1.33 0.80 0.80 0.00 2.00 1.33 34 7 7 34 66 52 73 23 7 34 73 63 4 27 48 63 52 66 34 23 O O O O H Nb H O O O H Nb O O O Nb Nb H O O -10.923 2.00 394 A 37.75 15.33 10.88 4.30 4.20 2.83 2.69 2.51 1.99 1.23 1.15 1.01 1 1 1 1 2 1 2 2 1 2 1 2 P:z P:x S P:y S P:x D:xy S P:y D:z2 P:x S -9.150 -9.150 -6.607 -9.150 -25.716 -9.150 -2.893 3.434 -9.150 -2.893 -9.150 3.434 1.33 1.33 1.00 1.33 2.00 1.33 0.80 0.00 1.33 0.80 1.33 0.00 27 27 70 39 27 39 60 70 38 60 38 67 O O H O O O Nb H O Nb O H -10.466 2.00 395 A 21.14 15.99 7.12 5.37 4.33 3.75 3.04 2.82 -2.80 2.62 2.12 1.39 1.29 1.17 1.12 1.05 1.03 1.02 1.02 1 1 1 1 1 1 2 2 5 2 1 3 3 2 2 2 1 3 2 P:x P:x P:z P:y P:y P:x D:xy D:xz S D:xy P:z D:xz D:xy D:x2-y2 D:x2-y2 D:z2 P:x D:x2-y2 D:xz -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -2.893 -3.937 -2.893 -9.150 3.340 3.340 -2.893 -2.893 -2.893 -9.150 3.340 -2.893 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.00 0.80 1.33 0.00 0.00 0.80 0.80 0.80 1.33 0.00 0.80 31 40 40 40 24 47 58 52 63 63 47 52 58 63 52 63 24 63 63 O O O O O O Nb Nb Nb Nb O Nb Nb Nb Nb Nb O Nb Nb -10.142 2.00 396 A 13.72 7.82 7.76 5.45 5.44 5.32 3.98 3.65 3.30 2.53 2.44 1.92 1.53 1.39 1.21 1.16 1.14 1.14 1.11 1.10 1.01 1 1 1 1 1 2 1 1 2 1 2 2 1 2 1 2 1 4 2 1 1 P:y P:y P:x P:y P:y D:x2-y2 P:z P:y D:xy P:y D:x2-y2 D:yz P:z D:z2 P:x D:z2 P:x P:y D:xy P:y P:x -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -2.893 -9.150 -2.893 -2.893 -9.150 -2.893 -9.150 -2.893 -9.150 -0.671 -2.893 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.00 0.80 1.33 1.33 49 23 41 32 41 56 26 38 52 47 50 51 10 50 49 56 31 56 56 14 26 O O O O O Nb O O Nb O Nb Nb O Nb O Nb O Nb Nb O O -9.989 2.00 397 A 8.72 5.96 5.45 5.03 4.93 4.15 3.67 3.32 2.62 2.54 2.17 2.15 1.85 1.80 1.70 1.49 1.23 1.23 1.18 1.03 1.01 1 1 1 1 1 1 1 1 2 2 1 2 2 1 2 2 1 1 2 1 2 P:x P:z P:x P:z P:y P:x P:x P:z D:xy D:x2-y2 P:x D:z2 D:xy P:z D:xz D:z2 P:y P:z D:x2-y2 P:y D:yz -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -2.893 -9.150 -2.893 -2.893 -9.150 -2.893 -2.893 -9.150 -9.150 -2.893 -9.150 -2.893 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 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O O O O Nb Nb Nb -9.471 2.00 410 A 4.42 2.82 2.82 2.73 2.68 2.58 2.47 2.31 2.15 1.94 1.74 1.68 1.67 1.64 1.59 1.57 1.42 1.37 1.31 1.28 1.28 1.18 1.18 1.16 1.15 1.10 1.10 1.07 1.04 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 P:x P:x P:y P:y P:x D:xy P:x P:x P:z P:x P:y P:z P:z P:x P:x P:z P:y D:z2 P:x P:x P:x P:z D:x2-y2 P:y P:y P:x P:y P:z P:x -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 24 23 24 38 17 61 26 49 49 32 3 23 19 33 20 15 33 56 11 2 44 40 50 37 12 37 28 11 14 O O O O O Nb O O O O O O O O O O O Nb O O O O Nb O O O O O O -9.377 2.00 411 A 5.30 4.14 3.43 3.29 2.82 2.80 2.53 2.31 2.26 1.67 1.66 1.59 1.58 1.57 1.45 1.34 1.30 1.28 1.22 1.17 1.17 1.16 1.13 1.12 1.10 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6 52 65 48 25 41 32 38 19 17 38 6 48 49 6 32 17 65 40 65 34 11 O O O O Nb Nb O O O O O O O O O O O O O O Nb O Nb O O -9.047 2.00 418 A 19.71 5.96 5.52 3.36 2.53 2.10 1.95 1.91 1.82 1.69 1.49 1.48 1.29 1.29 1.22 1.12 1.07 1.05 1.03 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:x P:z D:yz P:x D:z2 P:y P:y P:y P:z P:z P:z P:x P:x P:x P:x P:y P:x -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 38 26 11 10 51 32 50 47 27 41 19 6 11 38 47 31 20 49 2 O O O O Nb O Nb O O O O O O O O O O O O -8.986 2.00 419 A 7.61 4.30 3.57 3.00 2.80 2.68 2.58 2.57 2.11 2.00 1.97 1.97 1.72 1.64 1.59 1.58 1.48 1.38 1.32 1.31 1.15 1.10 1.04 1.02 1.01 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 2 1 1 2 1 1 2 1 P:z P:z P:y P:z P:y D:z2 P:y P:x P:y P:x P:x P:y P:z P:z D:z2 P:y D:xz D:xz P:x P:x D:z2 P:z P:z D:yz P:x -9.150 -9.150 -9.150 -9.150 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Nb O O Nb O Nb O Nb O O O Nb O Nb O O Nb O Nb O O O O -8.678 2.00 428 A 6.70 6.35 4.69 3.25 2.97 2.74 2.52 2.30 2.29 2.01 1.88 1.82 1.74 1.51 1.51 1.51 1.46 1.40 1.39 1.23 1.16 1.09 1.06 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 P:y P:y P:x P:x P:y P:x P:z P:y P:x P:x P:y P:x P:x P:z D:x2-y2 P:z D:xz P:x P:y P:x P:y P:y P:z D:yz -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 36 42 35 36 31 2 35 21 37 11 20 29 5 44 59 29 64 42 11 33 48 19 32 54 O O O O O O O O O O O O O O Nb O Nb O O O O O O Nb -8.674 2.00 429 A 10.08 5.78 5.67 5.08 4.79 3.03 2.95 2.45 2.21 2.20 2.20 2.03 1.83 1.82 1.79 1.59 1.47 1.39 1.32 1.24 1.22 1.16 1.12 1.01 1.00 1 1 1 2 1 2 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 2 P:y P:z P:y D:xy P:x D:yz P:x P:x P:x P:z P:y D:yz P:y 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35 28 18 14 44 47 61 23 14 36 41 21 29 34 O O O O Nb O O O Nb O O O O O O O O O O O O Nb O O O O O O O -8.569 2.00 432 A 5.52 5.48 4.70 3.99 3.75 3.26 3.22 2.70 2.69 2.57 2.56 2.56 2.43 2.41 2.34 2.02 1.76 1.45 1.45 1.44 1.43 1.34 1.34 1.29 1.25 1.24 1.21 1.10 1.08 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 2 1 1 1 2 1 P:z P:x P:x P:y P:x P:y P:x P:x P:z P:z P:y P:y D:yz P:y P:x P:x P:z P:x D:xy P:y P:y D:xz P:z D:xz P:z P:x P:z D:xy P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -2.893 -9.150 -2.893 -9.150 -9.150 -9.150 -2.893 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 12 35 37 12 43 33 1 29 29 37 42 3 55 28 36 42 21 33 58 48 21 59 36 53 13 3 3 61 35 O O O O O O O O O O O O Nb O O O O O Nb O O Nb O Nb O O O Nb O -8.496 2.00 433 A 9.17 6.78 6.26 5.28 3.68 3.23 2.26 2.18 1.74 1.74 1.74 1.72 1.61 1.41 1.36 1.36 1.34 1.28 1.27 1.24 1.08 1.05 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 1 1 1 1 1 1 1 P:y P:y P:y P:x P:y P:z P:x P:x D:x2-y2 P:z P:z P:z D:yz D:z2 D:xy P:z P:x P:z P:y P:x P:x P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -2.893 -2.893 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 5 40 34 31 31 48 37 35 63 29 47 34 63 63 63 5 29 21 35 34 11 39 O O O O O O O O Nb O O O Nb Nb Nb O O O O O O O -8.464 2.00 434 A 6.55 5.03 4.89 4.55 3.77 3.50 3.38 2.88 2.65 2.61 2.52 2.50 2.45 1.92 1.84 1.70 1.57 1.37 1.14 1.13 1.12 1.08 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 P:z P:z P:x P:x P:x P:x P:y P:z P:x P:z D:z2 D:yz P:x P:z P:y P:x P:x P:x P:z P:z D:yz P:x -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 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53 O O O O O O O O O Nb O O Nb O O O O O O Nb -8.017 2.00 444 A 9.07 6.24 6.21 5.79 4.76 4.08 4.06 4.03 2.15 2.02 1.76 1.62 1.62 1.57 1.45 1.42 1.36 1.18 1.15 1.13 1.11 1.05 1 1 1 1 1 1 2 1 2 1 1 1 1 2 2 1 1 2 1 1 1 2 P:z P:x P:z P:z P:x P:z D:z2 P:z D:z2 P:y P:z P:x P:x D:xz D:z2 P:y P:z D:xz P:y P:y P:z D:yz -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -2.893 -2.893 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -2.893 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 42 29 35 37 33 12 54 16 58 48 13 16 42 53 61 18 1 61 33 34 31 54 O O O O O O Nb O Nb O O O O Nb Nb O O Nb O O O Nb -7.985 2.00 445 A 9.98 4.95 4.23 3.71 3.08 2.66 2.10 2.04 2.04 1.99 1.97 1.83 1.76 1.64 1.57 1.53 1.51 1.40 1.37 1.34 1.33 1.27 1.26 1.23 1.23 1.13 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 2 1 2 1 P:y P:x P:y P:y P:x P:z P:y P:x P:y P:x P:x P:x P:y P:y D:xy P:x D:xy P:x P:x D:xz P:y P:y P:y D:yz 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1.46 1.46 1.46 1.45 1.41 1.40 1.39 1.21 1.21 1.10 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 2 P:z P:z P:x P:y P:z P:x P:x P:z D:yz P:x P:z P:x D:yz P:x P:y P:x P:y P:x P:z P:x P:z P:y P:y D:xz P:z P:x D:yz P:z D:yz D:z2 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -2.893 -9.150 -2.893 -2.893 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 10 19 46 30 22 11 14 9 60 2 11 7 51 27 2 38 41 8 38 19 6 11 23 62 46 30 57 47 50 50 O O O O O O O O Nb O O O Nb O O O O O O O O O O Nb O O Nb O Nb Nb -7.861 2.00 449 A 7.33 5.11 4.95 3.16 3.08 2.55 2.15 1.93 1.65 1.56 1.54 1.53 1.46 1.44 1.44 1.35 1.28 1.27 1.19 1.17 1.14 1.10 1.08 1.03 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 P:x P:y P:z P:z P:z P:y D:yz P:y P:x P:y P:x P:x P:y P:y P:x P:y P:y P:x P:z P:x P:y D:z2 P:y P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 29 44 42 5 1 48 53 36 5 43 45 35 27 13 33 15 39 36 2 39 31 55 25 1 O O O O O O Nb O O O O O O O O O O O O O O Nb O O -7.839 2.00 450 A 5.30 4.99 4.81 4.36 3.75 3.47 2.94 2.48 2.34 2.13 1.91 1.83 1.54 1.50 1.40 1.31 1.29 1.28 1.27 1.21 1.19 1.14 1.14 1.13 1.13 1.11 1.07 1.06 1.00 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 P:z P:x P:z P:z P:z P:z P:y P:y P:y P:z P:y P:x D:xz P:y P:y P:x P:y P:z P:x P:x P:y P:y P:y P:x P:x P:y D:z2 D:xy P:x -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -2.893 -9.150 1.33 1.33 1.33 1.33 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29 17 22 27 47 51 42 47 2 7 10 4 41 15 27 O O O O O Nb O O O O O O Nb O O O O O O Nb O O O O O O O O O -7.785 2.00 452 A 10.63 4.97 4.11 3.95 3.58 3.52 2.54 2.03 2.02 1.93 1.88 1.73 1.68 1.61 1.57 1.56 1.56 1.49 1.39 1.30 1.27 1.25 1.23 1.21 1.21 1.18 1.11 1.09 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 2 P:z P:z P:x P:z P:y P:y P:z P:y P:y P:y P:y D:yz P:z P:z P:y D:z2 P:y D:yz P:x P:y D:z2 P:y P:z P:y P:y P:z P:x D:yz -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -2.893 -9.150 -2.893 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 22 19 11 46 14 6 11 17 8 41 25 62 9 26 15 65 46 57 46 4 50 26 23 23 30 25 10 60 O O O O O O O O O O O Nb O O O Nb O Nb O O Nb O O O O O O Nb -7.746 2.00 453 A 4.01 2.91 2.89 2.74 2.41 2.26 2.09 2.01 1.87 1.80 1.75 1.66 1.60 1.55 1.54 1.48 1.42 1.42 1.34 1.29 1.23 1.21 1.19 1.18 1.18 1.12 1.12 1.10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 P:y P:z P:x P:x P:y P:y P:y P:x P:x P:x P:z P:y P:y P:x D:x2-y2 P:x P:z P:y P:x P:y P:x P:x P:x D:yz P:x P:z P:x P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 37 20 42 44 36 16 14 16 25 19 37 8 6 32 64 17 44 10 18 29 34 3 47 54 20 40 7 2 O O O O O O O O O O O O O O Nb O O O O O O O O Nb O O O O -7.734 2.00 454 A 3.89 3.15 3.02 2.87 2.78 2.56 2.22 2.17 2.10 1.99 1.76 1.68 1.64 1.56 1.51 1.49 1.44 1.39 1.32 1.32 1.23 1.17 1.16 1.14 1.13 1.11 1.08 1.06 1.03 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 2 1 1 P:y P:y P:z P:z P:y P:z P:z P:y P:x P:y P:x P:x P:x P:y 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-9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 43 12 44 20 42 45 30 12 21 35 3 42 20 46 4 55 13 31 25 17 40 15 27 16 7 19 21 O O O O O O O O O O O O O O O Nb O O O O O O O O O O O -7.669 2.00 456 A 3.73 2.97 2.96 2.65 2.64 2.58 2.54 2.48 2.14 1.88 1.86 1.85 1.84 1.82 1.80 1.71 1.69 1.55 1.44 1.39 1.31 1.29 1.22 1.16 1.14 1.14 1.12 1.12 1.12 1.08 1.05 1.02 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 P:x P:x P:y P:x P:z P:y P:z P:x P:x P:x P:z D:z2 P:z P:x P:y P:x P:z D:z2 P:z P:z P:z P:z P:z P:y P:z P:y P:x P:z P:y D:yz P:z P:z P:x P:x -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 1.33 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8 27 9 19 49 46 14 51 60 47 19 6 62 57 41 41 2 26 56 O O O O O Nb O O O O O O O O O Nb Nb O O O Nb Nb O O O O Nb -7.638 2.00 458 A 4.71 3.99 3.50 2.98 2.83 2.77 2.73 2.47 2.44 2.35 2.30 1.99 1.78 1.75 1.67 1.62 1.60 1.51 1.43 1.39 1.35 1.27 1.17 1.11 1.11 1.09 1.07 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 P:x P:z P:x P:z P:x P:y P:y P:z P:y P:x P:z P:z P:y P:x P:z P:z P:x P:x P:z P:y D:x2-y2 P:x P:x P:x D:xy P:y P:y P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 9 14 4 18 20 33 45 17 40 44 44 6 36 42 8 21 36 1 5 19 55 7 8 34 57 32 10 37 O O O O O O O O O O O O O O O O O O O O Nb O O O Nb O O O -7.589 2.00 459 A 4.61 4.18 3.75 2.94 2.47 2.44 2.40 2.33 2.11 2.01 1.87 1.82 1.79 1.72 1.71 1.68 1.66 1.64 1.51 1.45 1.39 1.37 1.29 1.21 1.16 1.13 1.10 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 P:x P:z P:x P:y P:z P:z P:z P:z P:z P:x P:x P:x P:z P:x P:y P:x P:x P:z P:x P:x P:y P:x P:z D:xz P:y P:y P:x P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 9 21 44 3 17 14 33 18 31 43 42 27 35 25 10 13 34 16 18 47 30 35 34 59 35 28 30 26 O O O O O O O O O O O O O O O O O O O O O O O Nb O O O O -7.578 2.00 460 A 7.27 4.86 4.04 3.43 2.97 2.78 2.31 1.95 1.88 1.80 1.77 1.74 1.73 1.68 1.66 1.62 1.55 1.49 1.41 1.35 1.32 1.30 1.27 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 P:x P:z P:y P:z P:z P:y P:x P:z P:y P:z P:y P:x D:yz P:z P:z P:z P:y P:y P:y P:x P:x P:z P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 47 5 2 4 2 27 25 15 19 26 14 23 65 48 45 6 34 46 26 4 6 40 47 O O O O O O O O O O O O Nb O O O O O O O O O O -7.545 2.00 461 A 7.07 6.03 5.89 4.84 3.39 3.27 2.89 2.88 2.52 2.17 2.04 1.82 1.77 1.77 1.66 1.57 1.31 1.28 1.18 1.17 1.13 1.12 1.11 1.08 1.02 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 P:y P:y P:z P:z P:y P:x P:y P:z P:z P:z P:x P:y P:y P:x P:x P:x P:z P:x D:z2 P:z P:x P:z P:y P:x P:z P:y P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1 28 1 48 16 16 5 28 29 22 45 31 35 5 40 37 18 18 53 20 35 35 37 13 8 13 16 O O O O O O O O O O O O O O O O O O Nb O O O O O O O O -7.511 2.00 462 A 8.15 4.37 3.60 2.43 2.30 2.22 2.14 2.13 2.08 1.94 1.76 1.64 1.56 1.55 1.33 1.23 1.23 1.22 1.13 1.09 1.07 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:x P:z P:x P:z P:x P:z P:z P:y P:y P:z P:x P:z P:y P:z P:x P:x P:y P:z P:x P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 31 23 16 36 8 22 5 34 48 35 13 29 7 3 46 4 43 21 18 40 34 24 O O O O O O O O O O O O O O O O O O O O O O -7.486 2.00 463 A 8.38 5.00 4.40 4.21 3.75 2.72 2.62 2.37 2.24 2.04 1.99 1.77 1.55 1.49 1.45 1.45 1.31 1.23 1.22 1.20 1.18 1.15 1.14 1.12 1.06 1.05 1.03 1.03 1.02 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 P:x P:y P:z P:y P:x P:y P:z P:x D:z2 P:z D:x2-y2 P:y P:x P:z P:x P:x P:x P:x P:z P:y P:y P:z P:y P:z D:xz P:z D:yz P:x P:x -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -2.893 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 13 46 20 3 1 18 38 18 60 35 61 12 36 16 30 12 27 46 21 28 8 12 21 36 59 18 59 47 45 O O O O O O O O Nb O Nb O O O O O O O O O O O O O Nb O Nb O O -7.440 2.00 464 A 10.64 7.96 6.32 3.70 2.93 2.81 2.76 2.16 2.15 1.84 1.59 1.46 1.39 1.37 1.35 1.31 1.25 1.19 1.16 1.14 1.13 1.07 1.06 1.03 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 P:y P:y P:z P:x P:x P:y P:y P:x P:z P:x D:xy P:y P:x P:y P:z P:y P:z P:z P:y P:x P:z P:z D:yz D:z2 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -2.893 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 9 22 25 4 6 40 17 17 31 7 57 26 5 8 8 15 7 17 23 25 19 49 57 51 O O O O O O O O O O Nb O O O O O O O O O O O Nb Nb -7.409 2.00 465 A 4.75 4.38 4.09 3.28 3.04 3.04 3.00 2.89 2.87 2.78 2.75 2.34 2.14 2.04 1.93 1.52 1.52 1.50 1.44 1.26 1.20 1.19 1.10 1.10 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:z P:z P:z P:y P:z P:z P:y P:y P:y P:y P:y P:z P:z P:z P:y P:y P:z P:x P:x P:z P:y P:y P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 9 25 22 43 9 21 31 45 31 27 7 23 26 8 16 28 28 4 3 40 37 26 36 42 42 O O O O O O O O O O O O O O O O O O O O O O O O O -7.394 2.00 466 A 9.55 5.26 4.76 4.27 3.59 2.83 2.78 2.66 2.31 1.95 1.91 1.85 1.70 1.54 1.54 1.39 1.34 1.32 1.29 1.25 1.13 1.08 1.07 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 P:z P:x P:y P:y P:x P:y P:z P:z P:y P:z P:y P:y P:y P:y P:z P:x P:x P:x P:z P:x P:y D:xz P:x P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 25 4 9 4 8 22 43 2 10 22 27 25 31 38 8 15 25 10 1 1 14 65 19 9 O O O O O O O O O O O O O O O O O O O O O Nb O O -7.374 2.00 467 A 7.91 6.65 5.53 3.80 3.70 3.09 2.82 2.80 2.41 2.26 2.15 1.99 1.93 1.66 1.49 1.47 1.43 1.23 1.19 1.14 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:x P:z P:z P:z P:x P:y P:y P:y P:z P:z P:z P:x P:z P:y P:x P:x P:y P:x P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 8 8 4 45 14 4 39 43 21 4 13 36 25 29 42 16 9 34 1 10 10 O O O O O O O O O O O O O O O O O O O O O -7.358 2.00 468 A 4.88 3.46 3.14 3.00 2.96 2.91 2.69 2.62 2.27 2.20 2.17 2.02 1.69 1.69 1.69 1.62 1.53 1.51 1.50 1.36 1.34 1.34 1.29 1.24 1.24 1.17 1.13 1.09 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:x P:z P:x P:z P:y P:x P:z P:x P:z P:z P:z P:x P:y P:y P:z P:y P:y P:z P:y P:y P:x P:y P:z P:x P:z P:x -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 8 27 6 6 21 8 41 25 25 46 9 13 31 40 7 38 17 1 26 49 16 13 22 4 1 39 1 32 11 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -7.349 2.00 469 A 9.14 7.78 4.69 4.23 4.21 3.71 2.27 2.15 2.12 2.10 1.83 1.75 1.73 1.65 1.57 1.49 1.48 1.34 1.30 1.28 1.22 1.14 1.14 1.11 1.11 1.10 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 P:x P:x P:y P:y P:z P:x P:z P:x P:x P:z P:y P:x P:z P:y P:z P:z P:x P:x P:y P:y P:z P:z P:y D:yz P:z P:z P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 45 16 45 18 45 43 3 35 33 37 33 8 16 13 20 36 4 44 24 39 21 35 3 54 8 43 39 O O O O O O O O O O O O O O O O O O O O O O O Nb O O O -7.333 2.00 470 A 6.18 3.56 3.32 3.03 2.61 2.46 2.38 2.29 2.16 2.11 2.09 2.08 2.04 1.94 1.80 1.71 1.68 1.64 1.42 1.33 1.31 1.29 1.12 1.12 1.09 1.06 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 P:z P:y P:z P:y P:x P:z P:x P:x P:y P:z P:y P:z P:x P:y P:x P:y P:y P:y P:x P:y P:z P:z P:z P:y P:y P:y D:xz -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 43 25 44 22 1 1 18 36 37 46 26 37 24 27 28 45 43 5 13 13 6 8 41 1 31 6 55 O O O O O O O O O O O O O O O O O O O O O O O O O O Nb -7.316 2.00 471 A 6.58 5.13 4.40 4.39 3.60 2.90 2.83 2.67 2.64 1.82 1.66 1.62 1.62 1.56 1.54 1.53 1.46 1.45 1.43 1.33 1.33 1.23 1.23 1.19 1.18 1.17 1.12 1.11 1.10 1.05 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:y P:y P:x P:z P:y P:y P:x P:y P:z P:x P:y P:y P:x P:y P:z P:z P:z P:y P:y P:x P:x P:x P:z P:x P:z P:y P:z P:x -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1 43 13 1 43 43 16 9 21 3 13 29 34 16 3 9 15 36 39 12 45 42 29 37 16 34 13 5 19 33 7 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -7.300 2.00 472 A 8.52 4.76 3.97 3.67 3.49 3.40 3.18 3.05 2.76 1.94 1.85 1.85 1.78 1.72 1.54 1.53 1.50 1.41 1.39 1.29 1.28 1.25 1.24 1.05 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:z P:y P:z P:z P:x P:z P:z P:x P:y P:y P:y P:z P:x P:y P:z P:z P:y P:x P:y P:x P:x P:x P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 18 25 25 9 13 16 4 39 20 7 13 16 10 26 39 43 4 33 19 23 3 43 18 33 1 O O O O O O O O O O O O O O O O O O O O O O O O O -7.287 2.00 473 A 7.30 6.58 4.05 3.73 3.54 3.03 2.96 2.34 2.33 2.32 2.25 2.12 2.02 1.85 1.72 1.58 1.50 1.45 1.45 1.42 1.36 1.34 1.22 1.17 1.12 1.08 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:y P:z P:x P:x P:y P:y P:z P:z P:y P:y P:z D:x2-y2 P:z P:x P:x P:y P:y P:z P:x P:z P:x P:x P:z P:x P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 15 15 9 26 8 9 6 10 8 9 25 14 10 57 25 26 2 32 27 6 17 41 43 11 43 10 31 O O O O O O O O O O O O O Nb O O O O O O O O O O O O O -7.273 2.00 474 A 12.85 9.13 8.80 5.40 3.90 3.63 2.65 2.51 2.47 2.34 2.15 1.79 1.71 1.55 1.47 1.40 1.25 1.23 1.06 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 P:x P:y P:z P:y P:z P:y P:y P:z P:y P:x P:z P:x P:x D:xy P:z P:x P:y P:x D:yz P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 18 18 13 33 18 44 45 33 16 45 1 36 12 61 45 34 20 39 59 44 O O O O O O O O O O O O O Nb O O O O Nb O -7.265 2.00 475 A 5.50 3.95 3.78 3.54 3.32 3.25 2.98 2.65 2.18 2.06 2.04 1.98 1.92 1.79 1.67 1.47 1.47 1.47 1.34 1.33 1.33 1.31 1.30 1.28 1.21 1.20 1.20 1.12 1.08 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:z P:z P:y P:x P:z P:x P:z P:y P:y P:x P:x P:x P:z P:x P:y P:x P:z P:z P:z P:z P:y P:y P:z P:x P:y P:z P:z P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 13 18 25 21 10 45 1 7 15 1 11 25 23 3 39 47 9 4 14 16 49 17 43 44 12 11 17 4 2 18 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -7.242 2.00 476 A 8.50 5.19 4.77 4.29 3.20 3.04 2.88 2.79 2.38 2.12 1.98 1.91 1.79 1.70 1.57 1.53 1.49 1.45 1.38 1.38 1.36 1.35 1.17 1.14 1.14 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:z P:z P:z P:x P:z P:y P:x P:y P:y P:x P:x P:z P:x P:x P:x P:y P:x P:x P:z P:x P:z P:x P:x P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 19 8 1 13 17 11 9 22 26 11 2 25 14 22 17 2 28 6 16 29 32 10 8 40 45 36 O O O O O O O O O O O O O O O O O O O O O O O O O O -7.230 2.00 477 A 3.76 3.57 3.04 2.92 2.51 2.32 2.21 2.21 2.17 2.09 1.90 1.90 1.90 1.84 1.83 1.82 1.75 1.72 1.65 1.63 1.62 1.50 1.49 1.48 1.44 1.38 1.35 1.22 1.12 1.08 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:y P:z P:y P:y P:y P:y P:y P:y P:y P:x P:x P:x P:z P:x P:z P:y P:z P:y P:z P:x P:x P:y P:z P:x P:x P:z P:x P:y P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 25 32 13 38 22 36 27 38 43 16 18 28 12 45 1 13 2 45 5 42 9 11 47 40 48 18 1 28 36 20 11 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -7.201 2.00 478 A 3.53 2.88 2.86 2.76 2.66 2.61 2.47 2.34 2.16 2.09 2.07 2.02 1.97 1.91 1.84 1.70 1.67 1.65 1.61 1.58 1.50 1.44 1.42 1.41 1.41 1.29 1.20 1.14 1.12 1.08 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:x P:x P:y P:x P:z P:x P:x P:z P:y P:x P:x P:y P:y P:x P:z P:y P:z P:z P:y P:y P:y P:x P:z P:z P:y P:y P:y P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 38 48 14 35 10 31 40 40 27 25 39 28 28 12 1 23 18 19 37 13 44 6 25 16 34 37 27 10 4 48 34 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -7.192 2.00 479 A 6.67 3.51 3.19 3.17 3.15 3.07 2.65 2.54 2.40 2.38 2.29 2.27 2.24 1.97 1.72 1.60 1.59 1.55 1.53 1.48 1.44 1.44 1.35 1.34 1.28 1.24 1.19 1.17 1.15 1.14 1.12 1.10 1.08 1.06 1.05 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 P:y P:y P:y P:z P:y P:z P:z P:y P:x P:z P:y P:z P:z P:z D:x2-y2 P:y P:x P:x P:y P:z P:x P:y P:z P:z P:y P:z P:y P:y P:x P:x P:z D:z2 P:x P:x P:y P:z D:xz -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -2.893 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 43 20 36 21 1 39 45 13 42 38 27 37 33 18 59 38 32 21 42 29 45 16 35 2 3 13 21 31 27 16 22 55 29 36 40 24 54 O O O O O O O O O O O O O O Nb O O O O O O O O O O O O O O O O Nb O O O O Nb -7.142 2.00 480 A 9.74 7.04 3.59 3.51 2.73 2.34 2.32 2.21 2.14 2.04 1.96 1.94 1.84 1.82 1.78 1.76 1.73 1.69 1.64 1.57 1.54 1.38 1.38 1.17 1.09 1.04 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:z P:z P:z P:x P:x P:x P:y P:z P:x P:x P:y P:x P:z P:y P:x P:z P:x P:y P:y P:y P:z P:z P:y P:x P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 37 44 40 45 28 45 5 34 40 16 42 3 35 16 3 24 28 21 20 45 28 34 44 25 3 1 42 O O O O O O O O O O O O O O O O O O O O O O O O O O O -7.096 2.00 481 A 5.52 5.23 4.42 3.55 3.22 2.93 2.82 2.74 2.72 2.71 2.49 2.30 2.16 2.02 1.77 1.68 1.54 1.40 1.33 1.31 1.21 1.16 1.13 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:x P:x P:x P:z P:y P:x P:z P:z P:x P:z P:y P:y P:y P:x P:z P:z P:z P:y P:z P:y P:x P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 8 18 9 13 24 45 24 1 9 43 7 3 4 7 27 34 8 16 41 18 4 25 16 12 O O O O O O O O O O O O O O O O O O O O O O O O -7.055 2.00 482 A 7.16 6.26 5.69 4.37 3.21 3.16 2.44 2.42 2.35 2.27 2.08 2.04 2.00 1.89 1.83 1.65 1.53 1.49 1.34 1.24 1.21 1.15 1.09 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 P:y P:y P:y P:y P:z P:y P:y P:z P:z P:y P:y P:x P:z P:y P:y P:y D:z2 P:y P:x P:x P:x P:x P:y P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 49 9 22 4 16 13 45 39 13 31 16 25 45 7 1 17 59 42 18 43 13 9 28 12 O O O O O O O O O O O O O O O O Nb O O O O O O O -7.048 2.00 483 A 7.32 6.55 4.38 3.66 3.58 3.12 2.82 2.55 2.32 2.28 2.22 2.15 2.14 2.11 2.09 1.88 1.61 1.59 1.26 1.20 1.19 1.17 1.17 1.13 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 P:x P:y P:y P:z P:z P:x P:x P:z P:y P:z P:z P:y P:y P:y P:x P:z P:x P:y P:z D:z2 P:y P:x P:z P:z D:z2 P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 25 49 9 4 45 43 13 8 25 43 13 45 16 4 7 16 18 13 2 59 35 4 49 31 51 24 O O O O O O O O O O O O O O O O O O O Nb O O O O Nb O -7.028 2.00 484 A 6.41 5.18 4.99 4.54 4.33 3.82 3.18 3.06 2.53 2.41 1.96 1.76 1.68 1.64 1.56 1.47 1.46 1.36 1.28 1.23 1.12 1.12 1.10 1.10 1.06 1.02 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:y P:z P:y P:y P:z P:x P:z P:x P:y P:z P:y P:y P:y P:x D:z2 P:z P:x P:y P:y P:y P:y P:y P:z P:y P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 18 25 22 7 4 9 16 8 7 25 4 4 2 1 49 45 24 51 7 9 31 6 28 23 26 17 44 9 O O O O O O O O O O O O O O O O O Nb O O O O O O O O O O -7.002 2.00 485 A 7.50 3.81 3.39 3.39 3.13 3.12 3.03 2.81 2.52 2.48 2.26 2.13 2.05 2.05 1.96 1.83 1.57 1.56 1.52 1.51 1.37 1.26 1.25 1.25 1.24 1.17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:x P:y P:y P:x P:x P:x P:y P:y P:x P:z P:y P:z P:z P:y P:z P:x P:x P:z P:x P:z P:y P:y P:x -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 8 27 18 13 7 1 27 1 16 39 30 9 18 25 45 48 32 16 25 24 31 31 5 4 41 17 O O O O O O O O O O O O O O O O O O O O O O O O O O -6.995 2.00 486 A 12.21 7.28 5.58 4.12 3.21 3.00 2.96 2.92 2.64 2.52 2.34 2.16 1.72 1.66 1.48 1.34 1.32 1.29 1.17 1.14 1.13 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:x P:z P:x P:z P:y P:y P:x P:z P:y P:y P:x P:x P:y P:x P:z P:z P:z P:x P:z P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 39 40 1 35 3 31 7 18 27 29 45 33 34 18 47 12 46 30 27 42 25 34 O O O O O O O O O O O O O O O O O O O O O O -6.963 2.00 487 A 10.72 5.93 2.84 2.65 2.62 2.49 2.44 2.25 2.22 2.14 2.09 2.07 1.90 1.81 1.80 1.64 1.56 1.52 1.51 1.51 1.39 1.36 1.18 1.08 1.07 1.06 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:x P:z P:z P:x P:z P:x P:y P:y P:y P:z P:x P:x P:x P:z P:z P:y P:z P:x P:z P:z P:z P:y P:z P:y P:y P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 39 39 17 13 49 34 16 18 22 48 40 26 42 12 45 41 4 16 45 1 40 34 3 43 22 7 25 25 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -6.903 2.00 488 A 4.46 4.31 4.12 4.05 3.22 3.02 2.41 2.25 2.23 2.22 2.21 2.19 2.18 2.11 1.89 1.84 1.79 1.56 1.52 1.51 1.47 1.37 1.36 1.27 1.21 1.20 1.13 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:z P:x P:x P:z P:x P:z P:z P:y P:x P:y P:z P:x P:y P:y P:x P:z P:y P:z P:x P:z P:y P:y P:y P:z P:x P:x -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 40 34 39 20 43 31 5 48 18 5 37 29 45 45 31 1 40 33 49 37 12 41 34 14 12 5 21 24 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -6.894 2.00 489 A 8.19 4.67 3.66 3.54 3.25 3.17 2.94 2.93 2.35 2.08 1.94 1.93 1.92 1.79 1.78 1.63 1.35 1.30 1.25 1.21 1.20 1.13 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:y P:x P:y P:z P:y P:y P:y P:x P:x P:y P:x P:y P:y P:x P:y P:x P:y P:z P:x P:x P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 18 39 13 43 20 48 24 43 27 34 13 25 39 7 40 31 34 24 12 43 18 14 30 O O O O O O O O O O O O O O O O O O O O O O O -6.866 2.00 490 A 4.87 4.77 4.32 4.13 4.00 3.55 3.42 3.35 3.23 3.22 2.57 2.27 2.11 2.02 1.86 1.79 1.75 1.58 1.54 1.53 1.38 1.23 1.10 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:z P:z P:z P:y P:z P:z P:y P:z P:z P:z P:y P:z P:y P:z P:y P:y P:z P:z P:y P:x P:x P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 22 34 41 39 25 26 22 8 7 49 46 38 24 5 46 2 18 25 4 26 41 26 5 39 O O O O O O O O O O O O O O O O O O O O O O O O -6.858 2.00 491 A 4.94 4.64 4.01 3.78 3.13 2.91 2.84 2.68 2.66 2.49 2.42 2.01 1.98 1.90 1.76 1.67 1.67 1.60 1.59 1.56 1.42 1.42 1.36 1.33 1.24 1.09 1.08 1.05 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:y P:z P:y P:y P:x P:y P:x P:z P:z P:y P:y P:x P:x P:z P:x P:y P:y P:z P:x P:z P:x P:z P:z P:x P:x P:z P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 9 7 34 22 18 23 5 45 17 40 8 24 25 35 47 5 4 13 49 25 7 49 10 7 26 45 24 41 14 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -6.806 2.00 492 A 6.44 6.08 4.57 4.26 3.48 3.21 3.17 3.10 2.88 2.82 2.33 2.27 1.79 1.74 1.70 1.46 1.40 1.32 1.31 1.22 1.19 1.14 1.11 1.07 1.07 1.04 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 P:x P:x P:y P:y P:z P:z P:y P:z P:z P:z P:y P:x P:z P:y P:x P:x P:y P:y P:y P:x P:y P:z P:z P:y D:yz P:x P:z P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 26 11 9 23 15 41 32 23 32 17 19 14 8 47 47 9 49 2 26 32 11 14 19 35 50 49 39 12 O O O O O O O O O O O O O O O O O O O O O O O O Nb O O O -6.800 2.00 493 A 8.91 7.52 5.95 5.92 4.56 3.32 3.05 2.72 2.59 2.30 2.04 1.95 1.86 1.79 1.76 1.58 1.34 1.31 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:z P:x P:z P:x P:y P:y P:y P:y P:x P:z P:z P:x P:y P:x P:z P:y P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 13 31 43 5 18 43 7 18 20 24 34 13 20 13 5 40 12 25 33 O O O O O O O O O O O O O O O O O O O -6.770 2.00 494 A 5.78 4.93 4.73 4.65 4.64 4.36 3.69 3.55 3.12 3.00 2.25 1.98 1.93 1.88 1.80 1.65 1.41 1.22 1.17 1.17 1.16 1.15 1.09 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:x P:y P:z P:y P:y P:z P:x P:y P:z P:x P:y P:y P:y P:y P:x P:z P:y P:z P:z P:y P:z P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 2 2 14 47 32 32 4 47 10 15 2 17 11 23 8 12 49 29 46 9 8 1 14 9 O O O O O O O O O O O O O O O O O O O O O O O O -6.764 2.00 495 A 5.05 4.44 4.09 3.55 3.24 3.20 3.09 2.66 2.62 2.57 2.41 2.41 2.26 2.08 2.08 2.02 2.02 1.77 1.70 1.68 1.59 1.46 1.46 1.19 1.18 1.15 1.12 1.06 1.05 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:z P:y P:y P:x P:z P:z P:y P:z P:x P:z P:z P:y P:x P:x P:x P:z P:x P:y P:z P:y P:y P:x P:x P:x P:y P:z P:z P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 34 12 29 1 46 42 47 1 28 12 20 41 31 39 46 37 35 48 27 33 46 5 2 3 2 15 36 21 27 14 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -6.740 2.00 496 A 13.41 8.54 6.15 5.85 5.79 4.74 4.55 3.47 3.45 2.60 2.25 2.16 2.06 1.86 1.49 1.44 1.22 1.20 1.14 1.13 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:y P:y P:z P:y P:y P:y P:z P:y P:y P:x P:x P:x P:z P:z P:x P:y P:z P:x -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 5 31 34 24 5 18 13 45 31 35 43 16 34 1 20 39 43 16 40 12 O O O O O O O O O O O O O O O O O O O O -6.697 2.00 497 A 12.77 8.11 7.09 6.78 3.17 3.05 2.74 2.50 2.22 2.16 1.85 1.76 1.64 1.42 1.41 1.34 1.30 1.26 1.22 1.17 1.12 1.11 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:y P:y P:z P:z P:z P:y P:x P:z P:x P:z P:x P:x P:y P:x P:y P:z P:y P:y P:x P:z P:x -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 34 5 5 46 2 41 39 14 49 48 1 14 40 46 4 15 8 22 39 47 9 34 14 O O O O O O O O O O O O O O O O O O O O O O O -6.661 2.00 498 A 4.14 4.08 3.06 2.95 2.83 2.82 2.68 2.67 2.47 2.28 2.23 2.13 2.06 2.04 1.85 1.82 1.76 1.70 1.63 1.52 1.49 1.46 1.45 1.40 1.38 1.37 1.37 1.27 1.16 1.12 1.12 1.11 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:x P:y P:x P:z P:y P:z P:y P:y P:x P:y P:x P:x P:z P:y P:x P:y P:x P:x P:x P:x P:x P:z P:z P:x P:z P:y P:z P:z P:y P:z P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 30 34 9 22 28 12 26 40 5 31 13 29 7 12 47 20 46 35 45 1 15 3 23 1 4 5 9 46 46 26 21 8 10 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -6.618 2.00 499 A 5.06 4.60 3.76 3.57 3.45 3.27 3.10 2.94 2.78 2.31 2.20 2.04 2.04 1.98 1.88 1.86 1.77 1.76 1.73 1.53 1.45 1.45 1.30 1.28 1.18 1.14 1.11 1.06 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:z P:z P:z P:z P:y P:z P:x P:x P:z P:y P:y P:x P:x P:x P:y P:z P:x P:y P:y P:y P:x P:z P:z P:y P:x P:z P:x P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 48 1 4 8 9 11 49 41 7 28 39 26 29 23 39 13 1 49 19 32 47 22 14 5 26 39 4 23 15 29 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -6.584 2.00 500 A 7.66 7.54 6.95 6.53 5.34 5.04 4.16 4.06 3.93 2.41 2.23 2.01 1.86 1.69 1.68 1.63 1.62 1.51 1.49 1.35 1.31 1.09 1.08 1.06 1.05 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:z P:z P:x P:z P:y P:x P:y P:z P:z P:y P:z P:x P:x P:y P:z P:x P:x P:x P:x P:x P:x P:x P:z P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 17 49 23 47 4 10 14 7 46 41 8 41 32 23 6 7 25 15 10 17 9 26 46 41 46 9 O O O O O O O O O O O O O O O O O O O O O O O O O O -6.574 2.00 501 A 6.08 5.66 5.54 5.41 4.32 4.17 3.33 3.24 3.04 2.95 2.69 2.59 2.50 2.36 2.35 2.29 2.15 1.88 1.78 1.75 1.60 1.54 1.47 1.36 1.31 1.20 1.19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:z P:z P:y P:y P:x P:z P:y P:y P:y P:x P:y P:y P:y P:z P:y P:y P:x P:x P:z P:z P:z P:z P:x P:y P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 40 14 30 5 7 34 47 46 14 27 41 49 22 25 19 48 26 5 41 9 26 10 34 2 10 17 6 O O O O O O O O O O O O O O O O O O O O O O O O O O O -6.481 2.00 502 A 6.03 4.99 4.89 4.50 3.86 3.79 3.15 3.07 2.84 2.76 2.60 2.58 2.55 2.07 1.99 1.88 1.88 1.86 1.68 1.63 1.48 1.39 1.19 1.18 1.14 1.10 1.10 1.06 1.01 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:z P:y P:y P:z P:z P:y P:z P:z P:z P:y P:x P:x P:x P:z P:x P:y P:x P:y P:z P:y P:x P:z P:y P:y P:x P:z P:y P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 42 24 29 30 12 43 12 16 20 38 46 45 39 39 33 21 13 41 21 46 3 20 32 28 29 36 45 12 11 16 30 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -6.470 2.00 503 A 6.55 6.31 6.22 4.69 4.39 3.50 3.16 2.70 2.34 2.11 2.10 1.91 1.82 1.79 1.75 1.66 1.57 1.55 1.53 1.50 1.50 1.28 1.19 1.14 1.07 1.01 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:z P:z P:y P:x P:z P:z P:x P:x P:x P:z P:z P:x P:z P:z P:x P:z P:z P:y P:y P:y P:y P:x P:x P:y P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 41 46 27 30 38 46 8 11 2 9 39 38 12 24 27 16 42 4 46 14 2 20 43 8 19 1 30 41 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -6.445 2.00 504 A 7.87 7.72 7.11 6.35 6.30 5.37 4.69 4.09 3.78 3.71 3.56 3.16 2.94 2.12 1.79 1.75 1.64 1.47 1.41 1.34 1.27 1.19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:x P:z P:z P:x P:z P:x P:z P:x P:y P:y P:x P:z P:y P:y P:y P:z P:x P:z P:x P:x -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1 29 24 43 35 21 24 45 36 43 16 35 28 13 28 43 13 16 12 42 36 13 O O O O O O O O O O O O O O O O O O O O O O -6.432 2.00 505 A 6.85 6.43 5.97 5.79 4.08 3.44 3.11 2.94 2.29 2.17 2.14 1.99 1.95 1.95 1.89 1.77 1.50 1.33 1.31 1.28 1.23 1.13 1.06 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:z P:z P:z P:z P:z P:x P:y P:x P:z P:y P:z P:y P:z P:y P:y P:x P:z P:z P:x P:y P:x P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 46 2 30 46 15 38 14 10 47 27 10 11 17 32 23 19 4 26 32 27 24 22 11 27 O O O O O O O O O O O O O O O O O O O O O O O O -6.397 2.00 506 A 7.30 6.84 4.00 3.62 3.48 3.39 2.83 2.73 2.58 2.10 1.96 1.71 1.70 1.67 1.63 1.54 1.49 1.49 1.41 1.39 1.36 1.32 1.24 1.15 1.09 1.09 1.06 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:x P:y P:y P:x P:y P:x P:y P:y P:y P:y P:z P:z P:z P:x P:z P:z P:z P:y P:y P:z P:z P:x P:z P:z P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 46 30 26 15 10 4 10 46 11 27 8 40 41 19 39 32 26 14 48 9 32 49 38 5 2 22 26 47 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -6.386 2.00 507 A 7.12 7.05 4.40 3.86 3.16 2.96 2.70 2.55 2.53 2.25 2.19 2.10 2.05 2.03 2.00 1.74 1.71 1.68 1.55 1.51 1.47 1.44 1.39 1.28 1.17 1.17 1.16 1.09 1.07 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 P:y P:x P:y P:y P:x P:x P:z P:y P:z P:z P:y P:x P:z P:y P:x P:z P:x P:x P:y P:x P:z P:y D:z2 P:y P:y P:y P:x P:x P:x P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 36 36 42 12 3 42 35 35 44 37 16 24 20 45 15 26 17 33 10 44 33 26 61 32 23 37 26 37 16 46 O O O O O O O O O O O O O O O O O O O O O O Nb O O O O O O O -6.381 2.00 508 A 9.23 5.77 5.14 4.06 4.01 3.87 3.71 2.95 2.74 2.71 2.55 2.51 2.50 2.12 1.83 1.79 1.70 1.52 1.37 1.20 1.03 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:z P:x P:y P:x P:y P:z P:y P:z P:z P:x P:z P:y P:x P:z P:y P:z P:z P:y P:y P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 11 2 17 17 7 26 19 6 46 26 15 14 38 10 2 47 27 46 11 17 15 30 O O O O O O O O O O O O O O O O O O O O O O -6.364 2.00 509 A 6.98 6.86 6.27 6.03 5.27 5.10 5.02 4.88 4.53 3.87 3.72 3.59 3.16 2.51 2.42 2.13 2.09 1.58 1.18 1.12 1.05 1.04 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:x P:z P:z P:z P:z P:z P:x P:y P:z P:x P:y P:z P:x P:z P:y P:y P:x P:x P:z P:z P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 41 17 4 4 23 46 17 11 41 25 47 8 19 26 23 6 41 7 49 19 14 25 8 O O O O O O O O O O O O O O O O O O O O O O O -6.351 2.00 510 A 6.33 3.49 3.43 3.06 2.83 2.76 2.63 2.56 2.52 2.42 2.22 2.22 2.20 2.11 2.06 2.05 2.04 2.00 1.68 1.66 1.66 1.61 1.53 1.40 1.37 1.32 1.31 1.27 1.26 1.22 1.05 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:y P:x P:z P:z P:x P:y P:y P:x P:x P:x P:z P:z P:y P:z P:z P:x P:y P:y P:y P:z P:y P:z P:y P:x P:x P:y P:y P:x P:z P:y P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 16 10 8 20 32 3 6 46 23 33 3 45 23 16 4 12 6 13 32 26 24 20 11 38 15 19 44 21 19 43 42 47 14 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -6.336 2.00 511 A 6.80 4.61 4.13 3.37 3.05 2.73 2.67 2.62 2.51 2.40 2.21 2.10 1.92 1.90 1.82 1.67 1.61 1.55 1.53 1.42 1.33 1.28 1.27 1.17 1.13 1.13 1.12 1.06 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:z P:y P:y P:x P:z P:z P:z P:y P:x P:x P:z P:y P:x P:y P:y P:x P:z P:x P:z P:y P:y P:y P:z P:z P:z P:z P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 16 20 3 8 7 33 10 32 38 46 45 3 12 24 6 23 4 13 20 44 7 26 37 21 16 23 35 11 35 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -6.294 2.00 512 A 11.47 6.35 5.95 4.51 4.49 4.43 4.38 3.36 2.92 2.71 2.68 2.68 2.60 2.33 2.32 1.89 1.82 1.65 1.60 1.56 1.55 1.52 1.45 1.43 1.39 1.31 1.23 1.15 1.12 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 P:z P:z P:y P:z P:x P:z P:y P:x P:z P:z P:x P:y P:z P:y P:y P:x P:x P:y P:x D:x2-y2 P:y P:z P:z P:y P:z P:z P:z P:z P:x D:xz -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -2.893 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 37 16 20 3 36 21 42 3 24 35 20 33 33 3 44 33 35 35 44 54 21 45 29 43 12 42 20 13 29 54 O O O O O O O O O O O O O O O O O O O Nb O O O O O O O O O Nb -6.203 2.00 513 A 13.82 13.13 10.40 8.60 4.91 4.59 3.88 3.54 2.29 2.21 2.15 1.97 1.90 1.76 1.74 1.71 1.68 1.53 1.47 1.08 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:y P:y P:z P:y P:x P:z P:x P:x P:x P:y P:y P:z P:y P:x P:x P:x P:x P:z P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 37 44 16 45 12 36 42 20 24 16 45 3 13 43 35 13 33 36 28 13 36 O O O O O O O O O O O O O O O O O O O O O -6.165 2.00 514 A 10.12 8.25 7.79 7.54 5.96 5.14 3.50 2.71 2.67 2.52 2.51 2.41 2.26 2.10 1.87 1.82 1.66 1.53 1.47 1.33 1.22 1.19 1.08 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:x P:x P:x P:x P:x P:x P:z P:y P:x P:z P:x P:y P:x P:z P:z P:y P:z P:y P:x P:z P:z P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 4 11 49 25 32 9 47 8 6 10 4 10 23 41 40 14 15 17 25 25 15 7 22 2 O O O O O O O O O O O O O O O O O O O O O O O O -6.149 2.00 515 A 12.17 9.14 7.93 6.73 4.66 4.64 4.44 3.92 3.58 3.19 3.14 2.57 2.13 2.10 1.94 1.82 1.70 1.67 1.65 1.64 1.54 1.09 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:z P:x P:z P:x P:z P:z P:z P:z P:z P:z P:x P:x P:y P:y P:y P:x P:z P:y P:y P:z P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 8 25 9 19 6 6 14 49 8 25 2 41 15 9 6 15 8 4 47 19 14 23 10 O O O O O O O O O O O O O O O O O O O O O O O -6.142 2.00 516 A 13.40 11.00 6.34 5.08 4.61 4.23 3.13 3.12 2.96 2.79 2.77 2.39 2.19 2.17 1.85 1.67 1.56 1.46 1.30 1.22 1.22 1.18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:z P:y P:x P:x P:z P:z P:z P:z P:y P:x P:z P:y P:z P:x P:x P:y P:y P:x P:x P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 43 24 36 3 45 12 16 33 43 12 21 29 20 24 44 36 16 43 33 19 8 30 O O O O O O O O O O O O O O O O O O O O O O -6.086 2.00 517 A 10.47 8.19 5.44 5.43 5.42 3.86 3.51 3.22 2.89 2.48 2.46 2.26 2.25 2.04 1.83 1.79 1.64 1.26 1.20 1.15 1.03 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:z P:z P:z P:z P:x P:x P:z P:x P:y P:x P:z P:y P:z P:x P:x P:z P:y P:z P:z P:x P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 6 25 6 49 9 23 23 9 10 19 6 49 47 9 14 25 8 33 29 43 11 13 49 O O O O O O O O O O O O O O O O O O O O O O O -6.080 2.00 518 A 6.21 5.76 5.54 5.01 4.62 4.51 3.44 3.41 3.40 3.05 2.76 2.74 2.50 1.97 1.84 1.83 1.80 1.64 1.62 1.60 1.57 1.53 1.42 1.34 1.33 1.22 1.16 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:z P:x P:y P:y P:y P:x P:y P:z P:x P:y P:z P:z P:x P:y P:z P:y P:z P:y P:x P:y P:y P:y P:z P:x P:z P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 44 33 43 13 29 20 43 16 3 16 18 24 36 42 6 36 24 18 44 33 45 37 25 21 18 36 6 9 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -6.053 2.00 519 A 15.29 9.79 8.09 7.67 6.66 6.13 5.76 5.06 4.58 3.50 2.93 2.88 2.06 1.94 1.46 1.29 1.21 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:z P:x P:z P:y P:x P:x P:z P:y P:y P:z P:z P:y P:x P:y P:y P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 8 19 25 9 9 4 25 15 11 15 19 15 8 10 10 14 30 10 O O O O O O O O O O O O O O O O O O -6.019 2.00 520 A 15.35 7.98 7.88 5.66 5.34 4.52 4.40 3.90 3.57 3.55 2.99 2.94 2.50 2.05 1.48 1.47 1.46 1.43 1.42 1.35 1.29 1.25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:x P:y P:x P:x P:x P:z P:y P:z P:z P:y P:z P:y P:x P:x P:x P:y P:x P:y P:z P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 18 16 44 37 13 18 45 44 45 33 37 30 42 20 33 27 42 24 16 29 16 18 O O O O O O O O O O O O O O O O O O O O O O -6.014 2.00 521 A 16.89 11.51 9.45 7.57 7.00 3.77 3.72 3.46 3.22 3.00 2.71 2.71 2.16 1.94 1.87 1.38 1.36 1.33 1.20 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:y P:z P:y P:y P:x P:z P:x P:x P:y P:y P:y P:y P:y P:x P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 4 47 49 10 32 47 8 15 47 11 32 15 11 14 2 23 41 10 26 O O O O O O O O O O O O O O O O O O O -5.996 2.00 522 A 14.42 7.42 6.47 5.23 4.93 4.47 4.43 3.51 2.74 2.64 2.49 2.21 1.71 1.69 1.55 1.43 1.36 1.19 1.16 1.13 1.12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:x P:y P:y P:x P:z P:x P:y P:x P:z P:y P:x P:x P:x P:y P:x P:x P:y P:z P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 30 18 27 43 3 13 33 15 18 49 27 27 21 43 33 13 9 18 21 36 9 O O O O O O O O O O O O O O O O O O O O O -5.987 2.00 523 A 9.33 8.08 7.27 5.45 4.87 3.98 3.86 3.21 3.00 2.89 2.87 2.46 2.42 2.39 2.14 2.08 2.06 1.85 1.79 1.78 1.73 1.49 1.47 1.30 1.13 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:y P:y P:x P:y P:y P:z P:z P:z P:y P:z P:x P:z P:z P:y P:y P:y P:x P:x P:z P:z P:z P:z P:x -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 13 33 18 30 18 21 45 18 43 33 3 45 27 42 44 16 37 43 49 15 36 13 24 3 44 O O O O O O O O O O O O O O O O O O O O O O O O O -5.960 2.00 524 A 7.74 5.75 5.69 4.91 4.41 2.61 2.47 2.44 2.29 2.28 2.23 2.08 2.08 1.97 1.93 1.91 1.84 1.60 1.58 1.57 1.40 1.32 1.28 1.27 1.27 1.22 1.19 1.16 1.11 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:z P:z P:x P:z P:z P:y P:y P:y P:z P:z P:x P:x P:y P:x P:x P:y P:z P:z P:x P:y P:z P:x P:y P:y P:x P:x P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 49 19 32 49 23 6 6 8 32 29 30 12 4 21 33 19 14 15 15 24 47 47 13 42 2 2 43 27 7 12 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -5.950 2.00 525 A 8.50 6.07 4.39 4.34 3.45 3.36 3.24 3.01 2.68 2.45 2.31 1.91 1.87 1.79 1.77 1.76 1.74 1.73 1.62 1.58 1.47 1.46 1.36 1.29 1.28 1.26 1.18 1.15 1.12 1.07 1.07 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:z P:x P:z P:y P:y P:x P:y P:y P:x P:z P:z P:z P:z P:x P:x P:y P:y P:z P:y P:y P:z P:y P:z P:z P:x P:x P:z P:y P:x -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 30 29 27 12 33 44 12 3 21 43 24 39 24 45 37 27 6 44 27 35 35 13 19 6 21 33 23 32 13 42 1 19 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -5.922 2.00 526 A 20.45 10.21 7.57 6.73 6.37 4.48 3.78 3.04 2.73 2.68 2.59 2.39 1.97 1.85 1.70 1.57 1.55 1.53 1.43 1.14 1.13 1.07 1.05 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:z P:z P:y P:z P:y P:x P:x P:z P:y P:x P:y P:z P:x P:x P:x P:z P:x P:y P:y P:x P:z P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 21 45 24 36 43 13 45 43 24 44 44 13 24 12 3 33 42 21 12 37 42 45 42 3 O O O O O O O O O O O O O O O O O O O O O O O O -5.900 2.00 527 A 11.47 9.12 8.24 6.03 3.41 3.40 3.33 3.13 3.08 2.98 2.55 2.48 2.46 2.37 2.23 2.18 1.94 1.82 1.72 1.60 1.53 1.45 1.28 1.20 1.13 1.10 1.04 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:z P:x P:x P:x P:y P:y P:x P:z P:z P:z P:z P:z P:x P:y P:z P:x P:z P:y P:y P:z P:x P:z P:z P:z P:z P:x -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 19 6 6 10 49 4 10 30 26 49 11 15 14 9 9 2 19 15 26 4 14 25 32 2 10 4 8 27 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -5.882 2.00 528 A 12.21 11.72 10.88 7.00 5.97 4.36 3.66 3.61 3.49 3.30 2.49 2.48 2.20 2.11 2.10 1.72 1.40 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:x P:x P:y P:x P:z P:z P:y P:x P:x P:x P:y P:y P:z P:y P:x -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 15 19 15 17 15 26 17 6 11 19 6 11 47 14 47 32 47 O O O O O O O O O O O O O O O O O -5.835 2.00 529 A 18.25 8.47 7.77 7.56 6.10 3.98 3.41 3.20 3.11 2.41 2.39 2.04 1.92 1.76 1.65 1.57 1.52 1.47 1.40 1.37 1.30 1.26 1.24 1.02 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:z P:y P:y P:z P:x P:x P:z P:z P:z P:x P:z P:x P:y P:y P:x P:y P:x P:x P:y P:z P:z P:x P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 21 33 42 33 37 16 13 16 13 33 35 24 45 35 13 20 37 3 46 30 18 21 37 44 12 O O O O O O O O O O O O O O O O O O O O O O O O O -5.816 2.00 530 A 24.86 21.57 8.98 8.29 3.37 2.92 2.89 2.63 2.48 1.68 1.55 1.50 1.34 1.21 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:z P:y P:z P:z P:y P:z P:z P:x P:x P:x P:y P:x P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 46 30 30 30 42 36 46 44 24 21 20 43 39 42 33 O O O O O O O O O O O O O O O -5.792 2.00 531 A 9.60 7.95 7.12 6.91 6.51 5.54 5.38 5.11 4.77 3.99 3.67 3.30 3.25 3.21 1.56 1.43 1.35 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:z P:z P:z P:x P:x P:x P:y P:y P:y P:x P:z P:z P:z P:y P:z P:x P:z -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 30 46 36 44 24 43 21 20 21 3 44 42 30 42 33 46 20 28 18 O O O O O O O O O O O O O O O O O O O -5.682 2.00 532 A 16.68 13.21 11.48 9.02 7.07 5.73 4.90 4.58 3.61 3.13 2.62 2.29 2.23 2.20 1.74 1.33 1.19 1.17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:y P:z P:z P:z P:x P:x P:y P:x P:y P:z P:y P:x P:z P:y P:z P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 11 10 2 26 17 14 10 14 14 17 10 32 23 26 11 17 47 19 O O O O O O O O O O O O O O O O O O -5.644 2.00 533 A 12.97 11.23 9.93 8.92 8.26 6.72 6.27 4.75 3.89 3.05 2.85 2.70 1.92 1.85 1.63 1.44 1.34 1.21 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:y P:x P:x P:x P:y P:z P:y P:x P:z P:z P:x P:y P:z P:z P:z P:y -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 -9.150 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 37 3 42 36 42 36 3 20 20 35 20 35 33 33 3 44 42 29 28 O O O O O O O O O O O O O O O O O O O -2.356 0.00 534 A 32.72 7.33 7.27 6.41 5.26 4.20 4.19 3.51 2.21 2.12 1.51 1.48 1.23 1.12 2 2 2 2 2 2 2 2 2 1 3 1 1 2 D:xz D:xy D:z2 D:xz D:z2 D:x2-y2 D:yz D:yz D:x2-y2 P:x D:xz P:y P:x D:xy -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 3.340 -9.150 -9.150 -2.893 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.00 1.33 1.33 0.80 63 63 52 58 63 58 58 63 52 34 63 20 7 58 Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb O O Nb -2.146 0.00 535 A 29.82 16.49 4.60 3.85 3.61 3.16 3.15 3.15 1.96 1.93 1.75 1.61 1.51 1.40 1.40 1.31 2 2 2 2 1 1 2 2 2 2 1 1 2 2 3 2 D:xy D:yz D:x2-y2 D:x2-y2 P:y P:y D:yz D:x2-y2 D:x2-y2 D:z2 P:z P:z D:z2 D:z2 D:yz D:xy -2.893 -2.893 -2.893 -2.893 -9.150 -9.150 -2.893 -2.893 -2.893 -2.893 -9.150 -9.150 -2.893 -2.893 3.340 -2.893 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.00 0.80 52 52 52 50 7 23 50 60 56 50 38 7 52 56 52 56 Nb Nb Nb Nb O O Nb Nb Nb Nb O O Nb Nb Nb Nb -2.101 0.00 536 A 25.91 14.20 6.97 5.86 3.92 3.38 2.98 2.12 1.95 1.75 1.51 1.38 1.37 1.18 1.17 1.17 1.16 1.07 2 2 2 2 1 2 1 2 2 2 2 3 2 1 1 2 2 2 D:yz D:x2-y2 D:x2-y2 D:xy P:y D:x2-y2 P:x D:xy D:xz D:yz D:x2-y2 D:yz D:xy P:z P:y D:yz D:xy D:yz -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -9.150 -2.893 -2.893 -2.893 -2.893 3.340 -2.893 -9.150 -9.150 -2.893 -2.893 -2.893 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.00 0.80 1.33 1.33 0.80 0.80 0.80 52 52 63 52 40 58 5 63 52 53 53 52 50 32 32 58 56 50 Nb Nb Nb Nb O Nb O Nb Nb Nb Nb Nb Nb O O Nb Nb Nb -2.013 0.00 537 A 26.08 4.89 4.53 4.37 4.26 3.75 3.24 2.94 2.82 2.72 1.92 1.84 1.61 1.46 1.35 1.32 1.01 2 2 2 2 2 2 2 2 1 2 2 2 3 1 2 1 2 D:z2 D:x2-y2 D:x2-y2 D:yz D:xy D:xz D:x2-y2 D:yz P:z D:yz D:xy D:yz D:z2 P:x D:xz P:z D:yz -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 3.340 -9.150 -2.893 -9.150 -2.893 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.00 1.33 0.80 1.33 0.80 52 58 53 53 63 58 52 52 40 50 56 58 52 7 52 23 63 Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb O Nb O Nb -1.810 0.00 538 A 18.80 14.38 4.92 3.82 3.82 3.67 3.49 2.64 2.02 1.91 1.77 1.74 1.53 1.45 1.22 1.22 1.00 2 2 2 2 1 2 2 2 1 2 2 1 2 2 2 1 2 D:x2-y2 D:yz D:yz D:x2-y2 P:y D:z2 D:xz D:xy P:y D:xy D:xy P:z D:xz D:x2-y2 D:xz P:x D:z2 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 -9.150 -2.893 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 53 53 52 55 39 52 53 53 40 52 63 29 52 58 63 43 53 Nb Nb Nb Nb O Nb Nb Nb O Nb Nb O Nb Nb Nb O Nb -1.705 0.00 539 A 14.33 10.01 7.81 5.86 4.17 4.11 3.93 3.78 3.04 2.42 2.14 1.82 1.77 1.67 1.61 1.58 1.55 1.49 1.45 1.33 1.20 1.17 1.15 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 2 1 2 1 2 3 2 1 D:z2 D:z2 D:x2-y2 D:yz D:xy D:xy D:x2-y2 D:yz D:yz D:xz P:z P:x D:x2-y2 D:x2-y2 D:xz D:xy P:z D:z2 P:y D:z2 D:z2 D:xy P:x -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -9.150 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -9.150 -2.893 3.340 -2.893 -9.150 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.00 0.80 1.33 50 57 62 51 62 56 57 56 62 62 6 6 60 51 51 51 2 51 19 56 50 50 17 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O O Nb Nb Nb Nb O Nb O Nb Nb Nb O -1.674 0.00 540 A 10.77 8.38 7.94 7.01 4.57 3.62 3.29 2.43 2.41 2.15 1.92 1.85 1.81 1.53 1.51 1.41 1.40 1.25 1.18 1.15 2 2 2 2 2 2 2 2 2 1 2 1 2 2 2 2 2 2 2 1 D:xy D:yz D:z2 D:xy D:yz D:x2-y2 D:x2-y2 D:x2-y2 D:z2 P:y D:z2 P:x D:z2 D:x2-y2 D:xy D:xy D:x2-y2 D:yz D:z2 P:x -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -9.150 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 65 65 56 56 50 65 50 58 57 19 50 14 65 52 52 51 57 58 51 10 Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb O Nb Nb Nb Nb Nb Nb Nb O -1.660 0.00 541 A 20.48 4.15 3.94 3.93 2.82 2.66 2.59 2.52 2.33 1.83 1.77 1.71 1.66 1.57 1.47 1.42 1.28 1.24 1.23 1.14 1.09 1.07 1.07 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 1 2 2 2 2 1 2 2 D:x2-y2 D:x2-y2 D:yz D:yz D:z2 D:yz P:y D:xy D:xy D:x2-y2 D:z2 D:xz D:z2 D:xz D:yz P:x D:yz D:yz D:x2-y2 D:x2-y2 P:y D:x2-y2 D:z2 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 58 64 50 58 57 65 35 65 58 55 53 64 50 58 64 24 53 56 53 63 31 57 56 Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb O Nb Nb -1.616 0.00 542 A 23.48 9.36 8.20 7.94 5.45 4.42 3.93 2.97 2.68 2.42 2.07 1.87 1.56 1.53 1.38 1.36 1.30 1.29 1.02 2 2 2 2 2 2 2 2 1 2 1 2 1 1 2 1 1 1 1 D:z2 D:xz D:x2-y2 D:xy D:yz D:xz D:x2-y2 D:yz P:x D:x2-y2 P:x D:z2 P:y P:x D:xz P:z P:y P:x P:z -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -9.150 -2.893 -9.150 -9.150 -2.893 -9.150 -9.150 -9.150 -9.150 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 61 54 55 61 54 61 54 55 42 53 36 55 33 33 53 44 36 1 33 Nb Nb Nb Nb Nb Nb Nb Nb O Nb O Nb O O Nb O O O O -1.550 0.00 543 A 15.89 9.98 6.48 5.78 5.14 4.42 4.08 3.47 2.65 2.02 1.74 1.53 1.53 1.50 1.50 1.45 1.37 1.11 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 1 2 2 D:x2-y2 D:xz D:x2-y2 D:yz D:yz D:x2-y2 D:z2 P:z D:x2-y2 D:xz D:xz D:z2 D:x2-y2 D:xz P:x P:z D:z2 D:xy -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -9.150 -2.893 -2.893 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 59 64 64 59 64 55 50 44 50 59 54 64 54 55 33 33 59 62 Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb Nb Nb O O Nb Nb -1.537 0.00 544 A 12.89 12.59 8.26 4.23 4.21 3.15 2.76 2.51 2.17 1.67 1.63 1.54 1.53 1.45 1.23 1.22 1.13 1.11 1.03 1.03 2 2 2 2 2 2 2 2 2 1 2 2 2 2 1 2 2 1 3 1 D:x2-y2 D:z2 D:x2-y2 D:z2 D:yz D:xy D:yz D:yz D:xy P:z D:xz D:z2 D:x2-y2 D:xy P:x D:x2-y2 D:z2 P:y D:z2 P:z -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -9.150 3.340 -9.150 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.00 1.33 59 50 50 58 59 62 65 62 58 2 54 61 54 65 21 62 62 21 50 37 Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb O Nb Nb O Nb O -1.483 0.00 545 A 12.35 6.93 5.80 5.58 4.81 2.93 2.29 2.17 2.12 1.97 1.95 1.85 1.76 1.74 1.70 1.50 1.22 1.20 1.19 1.15 1.07 1.06 1.05 1.03 1.03 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 1 1 1 1 2 2 D:z2 D:z2 D:yz D:x2-y2 D:z2 D:xz D:x2-y2 D:xy D:x2-y2 D:xy D:x2-y2 D:yz D:x2-y2 D:x2-y2 D:yz D:z2 D:z2 D:z2 D:xy P:z P:z P:y P:x D:xy D:z2 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 3.340 -2.893 -2.893 -9.150 -9.150 -9.150 -9.150 -2.893 -2.893 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 50 58 58 58 57 64 55 62 56 50 59 64 60 64 62 62 50 64 56 22 2 21 21 58 61 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O O O O Nb Nb -1.475 0.00 546 A 7.89 6.69 5.02 4.44 4.25 4.05 3.99 3.61 3.25 3.21 2.82 2.48 2.21 1.97 1.86 1.61 1.49 1.16 1.14 1.10 1.06 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 1 2 2 2 D:z2 D:x2-y2 D:x2-y2 D:yz D:x2-y2 D:yz D:yz D:x2-y2 D:yz D:xy D:xy D:z2 D:xy D:xy P:y P:y D:xz P:y D:xy D:z2 D:xz -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -9.150 -2.893 -9.150 -2.893 -2.893 -2.893 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 57 56 50 50 58 65 58 60 52 56 50 58 57 60 22 19 50 26 52 50 64 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O O Nb O Nb Nb Nb -1.411 0.00 547 A 9.84 8.69 6.06 5.06 3.88 3.67 3.32 2.81 2.77 2.57 2.52 2.34 1.94 1.84 1.51 1.42 1.40 1.40 1.15 1.10 1.05 1.04 1.01 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 2 2 2 2 1 2 1 D:yz D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:z2 D:z2 D:yz D:x2-y2 D:z2 D:xy P:y D:yz D:yz P:y D:x2-y2 D:xz D:yz D:yz P:y D:xz P:y -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -9.150 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 56 60 50 50 56 60 50 52 50 56 56 52 22 60 62 30 53 60 58 65 27 58 14 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb O Nb Nb Nb Nb O Nb O -1.369 0.00 548 A 6.96 6.33 6.06 4.60 4.20 4.19 4.12 3.79 3.56 3.23 3.08 2.64 2.53 2.45 1.90 1.78 1.69 1.42 1.31 1.25 1.24 1.09 1.09 1.06 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 1 2 1 2 1 1 2 1 D:yz D:xy D:x2-y2 D:z2 D:xy D:x2-y2 D:x2-y2 D:yz D:z2 D:yz D:x2-y2 P:y D:yz D:xy D:xz D:yz P:z D:xy P:y D:x2-y2 P:x P:z D:z2 P:x -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -9.150 -2.893 -9.150 -9.150 -2.893 -9.150 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 50 50 56 57 52 51 52 65 56 56 62 32 51 51 51 58 23 65 19 57 6 6 52 15 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb O Nb O Nb O O Nb O -1.298 0.00 549 A 25.37 6.05 4.86 3.13 3.11 2.58 2.45 2.36 2.34 2.32 2.23 2.06 1.85 1.81 1.56 1.50 1.49 1.39 1.35 1.23 1.23 1.11 1.03 1.02 2 2 2 1 2 1 2 2 2 2 2 1 2 3 1 2 2 2 2 2 2 1 2 2 D:yz D:z2 D:x2-y2 P:z D:yz P:z D:x2-y2 D:yz D:x2-y2 D:yz D:yz P:y D:xz D:yz P:x D:x2-y2 D:xy D:z2 D:z2 D:xy D:xz P:y D:xz D:yz -2.893 -2.893 -2.893 -9.150 -2.893 -9.150 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 3.340 -9.150 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.00 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 56 56 50 41 62 23 56 60 60 65 50 17 56 56 23 62 50 52 62 56 50 22 52 52 Nb Nb Nb O Nb O Nb Nb Nb Nb Nb O Nb Nb O Nb Nb Nb Nb Nb Nb O Nb Nb -1.147 0.00 550 A 10.62 9.48 8.75 8.42 7.35 5.58 2.90 2.44 1.91 1.66 1.58 1.45 1.41 1.38 1.31 1.21 1.15 1.09 1.08 1.03 2 2 2 2 2 1 1 2 2 2 2 1 1 2 2 1 2 3 1 2 D:xz D:xz D:x2-y2 D:x2-y2 D:yz P:z P:y D:xy D:z2 D:xz D:z2 P:y P:y D:yz D:z2 P:x D:xy D:xz P:z D:xz -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -9.150 -2.893 -2.893 -2.893 -2.893 -9.150 -9.150 -2.893 -2.893 -9.150 -2.893 3.340 -9.150 -2.893 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.00 1.33 0.80 58 63 58 53 58 31 31 63 52 59 63 1 20 63 53 12 55 63 40 55 Nb Nb Nb Nb Nb O O Nb Nb Nb Nb O O Nb Nb O Nb Nb O Nb -1.047 0.00 551 A 18.03 14.11 9.89 6.10 5.34 2.56 2.49 2.00 1.94 1.85 1.83 1.83 1.25 1.18 1.15 1.07 1.05 2 2 1 2 2 2 2 2 1 3 2 1 3 2 1 1 2 D:x2-y2 D:z2 P:y D:yz D:xz D:z2 D:xz D:xz P:x D:z2 D:x2-y2 P:y D:x2-y2 D:x2-y2 P:z P:z D:x2-y2 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 3.340 -2.893 -9.150 3.340 -2.893 -9.150 -9.150 -2.893 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.00 0.80 1.33 0.00 0.80 1.33 1.33 0.80 53 53 1 53 53 54 63 58 1 53 58 29 53 54 1 16 63 Nb Nb O Nb Nb Nb Nb Nb O Nb Nb O Nb Nb O O Nb -0.999 0.00 552 A 12.59 9.54 5.39 4.20 4.04 3.53 3.14 2.79 2.72 2.61 2.43 2.43 2.16 2.12 1.65 1.62 1.57 1.53 1.35 1.14 2 2 2 2 2 2 2 1 2 1 2 1 1 2 2 2 3 2 2 2 D:yz D:z2 D:x2-y2 D:z2 D:xy D:yz D:xz P:z D:xy P:y D:yz P:x P:x D:z2 D:x2-y2 D:xy D:z2 D:xz D:z2 D:xy -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -9.150 -2.893 -9.150 -9.150 -2.893 -2.893 -2.893 3.340 -2.893 -2.893 -2.893 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.00 0.80 0.80 0.80 51 56 51 51 51 62 51 10 56 11 50 10 14 50 62 62 56 62 57 57 Nb Nb Nb Nb Nb Nb Nb O Nb O Nb O O Nb Nb Nb Nb Nb Nb Nb -0.968 0.00 553 A 9.80 9.75 4.76 3.98 3.44 2.97 2.90 2.55 2.46 2.40 2.39 2.11 1.88 1.85 1.84 1.84 1.52 1.51 1.17 1.11 1.10 2 2 2 2 1 2 1 2 2 2 2 1 2 2 3 2 2 1 2 2 2 D:xy D:yz D:yz D:z2 P:y D:xy P:x D:x2-y2 D:x2-y2 D:yz D:xy P:z D:z2 D:z2 D:xy D:x2-y2 D:z2 P:x D:xy D:yz D:xy -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -9.150 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 3.340 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.00 0.80 0.80 1.33 0.80 0.80 0.80 50 50 56 56 2 65 26 50 55 65 51 26 57 53 50 56 58 17 56 55 57 Nb Nb Nb Nb O Nb O Nb Nb Nb Nb O Nb Nb Nb Nb Nb O Nb Nb Nb -0.958 0.00 554 A 13.15 7.28 6.76 4.73 3.73 3.07 2.95 2.91 2.75 2.50 2.48 1.80 1.77 1.62 1.60 1.59 1.51 1.35 1.28 1.12 1.06 1.01 2 2 2 2 1 2 2 2 1 1 2 2 2 1 2 2 3 2 2 1 3 3 D:z2 D:x2-y2 D:xy D:yz P:x D:xz D:xz D:z2 P:x P:z D:z2 D:z2 D:xy P:y D:yz D:yz D:x2-y2 D:xz D:x2-y2 P:y D:z2 D:xy -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 -9.150 -9.150 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 3.340 -2.893 -2.893 -9.150 3.340 3.340 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.00 0.80 0.80 1.33 0.00 0.00 58 55 58 55 20 58 55 56 3 35 61 53 50 35 50 59 55 59 56 36 58 58 Nb Nb Nb Nb O Nb Nb Nb O O Nb Nb Nb O Nb Nb Nb Nb Nb O Nb Nb -0.944 0.00 555 A 12.64 8.29 6.78 5.01 4.23 4.05 3.68 3.19 2.88 2.09 2.04 1.92 1.67 1.65 1.62 1.54 1.47 1.30 1.24 1.19 1.14 1.14 2 2 2 2 1 2 2 2 2 1 2 2 2 2 1 3 2 1 2 1 2 2 D:xz D:yz D:z2 D:x2-y2 P:z D:xz D:yz D:x2-y2 D:z2 P:x D:z2 D:xy D:x2-y2 D:z2 P:z D:xz D:xy P:x D:x2-y2 P:y D:yz D:x2-y2 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 -2.893 -9.150 3.340 -2.893 -9.150 -2.893 -9.150 -2.893 -2.893 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.00 0.80 1.33 0.80 1.33 0.80 0.80 54 54 58 54 37 64 64 55 61 42 53 53 64 64 35 54 58 36 61 20 58 58 Nb Nb Nb Nb O Nb Nb Nb Nb O Nb Nb Nb Nb O Nb Nb O Nb O Nb Nb -0.781 0.00 556 A 14.69 5.03 4.62 4.52 4.17 3.12 2.97 2.60 2.54 2.48 2.44 1.62 1.58 1.48 1.47 1.46 1.44 1.43 1.40 1.24 1.11 1.10 1.09 1.00 2 2 2 2 2 2 2 1 1 2 2 2 1 2 1 1 2 3 2 2 2 1 2 2 D:yz D:z2 D:x2-y2 D:x2-y2 D:xz D:x2-y2 D:z2 P:x P:y D:xy D:xy D:xy P:x D:yz P:y S D:yz D:yz D:x2-y2 D:xy D:z2 P:z D:x2-y2 D:yz -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -9.150 -2.893 -2.893 -2.893 -9.150 -2.893 -9.150 -6.607 -2.893 3.340 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.00 0.80 0.00 0.80 0.80 0.80 1.33 0.80 0.80 60 60 60 56 53 55 53 1 30 60 53 56 41 56 46 67 63 60 51 51 56 30 59 54 Nb Nb Nb Nb Nb Nb Nb O O Nb Nb Nb O Nb O H Nb Nb Nb Nb Nb O Nb Nb -0.692 0.00 557 A 14.80 11.64 6.96 5.17 4.62 2.71 2.55 2.31 2.02 1.97 1.93 1.81 1.61 1.59 1.55 1.48 1.33 1.23 1.15 1.14 1.12 1.09 2 2 2 2 1 2 2 1 1 2 1 1 2 3 3 2 3 3 2 2 2 1 D:z2 D:yz D:z2 D:xy P:y D:yz D:x2-y2 P:z P:x D:yz P:x P:z D:z2 D:yz D:z2 D:yz D:xy D:z2 D:xy D:xy D:xy P:y -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -9.150 -9.150 -2.893 -9.150 -9.150 -2.893 3.340 3.340 -2.893 3.340 3.340 -2.893 -2.893 -2.893 -9.150 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.00 0.00 0.80 0.00 0.00 0.80 0.80 0.80 1.33 51 51 65 51 4 57 65 4 25 62 32 25 62 51 51 50 51 65 62 65 50 8 Nb Nb Nb Nb O Nb Nb O O Nb O O Nb Nb Nb Nb Nb Nb Nb Nb Nb O -0.677 0.00 558 A 21.95 10.58 5.74 5.28 4.02 2.99 2.74 2.39 2.39 2.13 1.93 1.87 1.64 1.61 1.34 1.33 1.23 1.17 1.07 1.06 1.04 1.01 1.00 2 2 2 1 2 3 1 2 1 2 3 2 2 2 1 1 2 1 3 1 2 2 2 D:x2-y2 D:x2-y2 D:x2-y2 P:y D:yz D:x2-y2 P:x D:xz P:x D:yz D:x2-y2 D:yz D:z2 D:z2 P:y P:x D:z2 P:z D:x2-y2 P:y D:xy D:z2 D:xz -2.893 -2.893 -2.893 -9.150 -2.893 3.340 -9.150 -2.893 -9.150 -2.893 3.340 -2.893 -2.893 -2.893 -9.150 -9.150 -2.893 -9.150 3.340 -9.150 -2.893 -2.893 -2.893 0.80 0.80 0.80 1.33 0.80 0.00 1.33 0.80 1.33 0.80 0.00 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.00 1.33 0.80 0.80 0.80 54 61 64 16 54 54 18 61 16 64 61 61 54 55 45 45 51 18 64 18 58 63 54 Nb Nb Nb O Nb Nb O Nb O Nb Nb Nb Nb Nb O O Nb O Nb O Nb Nb Nb -0.653 0.00 559 A 6.92 5.92 5.57 4.11 4.06 3.16 2.74 2.49 1.84 1.74 1.63 1.60 1.57 1.53 1.52 1.47 1.34 1.31 1.28 1.26 1.23 1.15 1.14 1.05 2 2 2 2 2 2 2 2 2 1 2 1 2 2 1 2 2 1 2 1 2 1 2 3 D:z2 D:x2-y2 D:z2 D:z2 D:z2 D:x2-y2 D:z2 D:xy D:x2-y2 P:z D:z2 P:y D:xy D:x2-y2 P:y D:xz D:z2 P:z D:x2-y2 P:z D:xz P:y D:x2-y2 D:z2 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -9.150 -2.893 -2.893 -9.150 -2.893 -2.893 -9.150 -2.893 -9.150 -2.893 -9.150 -2.893 3.340 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.00 55 60 59 64 51 51 54 64 56 45 53 13 59 59 43 64 65 43 63 4 60 46 55 55 Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb O Nb Nb O Nb Nb O Nb O Nb O Nb Nb -0.644 0.00 560 A 9.84 9.23 3.77 2.81 2.65 2.60 2.58 2.53 2.46 2.46 2.21 1.91 1.68 1.63 1.45 1.36 1.22 1.19 1.17 1.17 1.16 1.13 1.11 1.03 1.02 2 2 2 1 2 2 2 2 2 2 2 2 2 1 2 3 1 2 2 1 2 2 2 1 1 D:z2 D:x2-y2 D:z2 P:y D:yz D:yz D:xy D:xz D:z2 D:x2-y2 D:z2 D:xy D:x2-y2 P:y D:x2-y2 D:z2 P:y D:xy D:z2 P:z D:xz D:xz D:z2 P:x P:x -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 3.340 -9.150 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 -9.150 -9.150 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.00 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 55 60 59 46 55 60 53 60 64 56 51 64 51 43 64 55 45 56 65 43 53 54 60 41 1 Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb O Nb Nb O Nb Nb Nb O O -0.606 0.00 561 A 13.98 8.89 4.78 4.61 4.52 3.72 3.67 2.27 2.13 2.13 2.07 1.70 1.65 1.49 1.34 1.29 1.28 1.20 1.10 1.06 1.05 2 2 2 2 1 1 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 D:x2-y2 D:xy D:x2-y2 D:yz P:x P:y P:x D:xy D:x2-y2 D:x2-y2 D:z2 D:z2 D:x2-y2 D:z2 D:yz D:z2 D:x2-y2 D:yz P:y D:xz D:xy -2.893 -2.893 -2.893 -2.893 -9.150 -9.150 -9.150 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 63 63 58 63 5 31 40 51 51 60 52 51 52 63 51 64 61 57 4 63 57 Nb Nb Nb Nb O O O Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb -0.564 0.00 562 A 11.58 5.24 4.76 4.67 4.39 4.12 3.77 2.86 2.71 2.24 1.94 1.87 1.75 1.44 1.36 1.30 1.24 1.10 1.04 1.02 2 2 2 2 2 1 2 2 2 2 1 1 2 2 3 2 1 2 1 1 D:yz D:xy D:z2 D:x2-y2 D:z2 P:y D:xz D:x2-y2 D:z2 D:z2 P:y P:z D:yz D:xy D:yz D:xz P:x D:yz P:z P:x -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 -2.893 -9.150 -9.150 -2.893 -2.893 3.340 -2.893 -9.150 -2.893 -9.150 -9.150 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.00 0.80 1.33 0.80 1.33 1.33 60 53 54 64 53 46 60 60 60 55 30 12 55 59 60 61 1 61 18 46 Nb Nb Nb Nb Nb O Nb Nb Nb Nb O O Nb Nb Nb Nb O Nb O O -0.533 0.00 563 A 4.56 3.97 3.22 2.87 2.76 2.48 2.42 2.22 2.20 2.08 2.08 2.07 2.05 2.03 1.83 1.74 1.43 1.37 1.24 1.23 1.15 1.12 1.06 1.02 1.00 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 1 2 2 2 2 2 D:x2-y2 D:x2-y2 D:z2 D:z2 D:yz D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:yz D:xy D:x2-y2 D:xy D:xy D:xz D:yz D:xz P:z P:z P:y D:xy D:xy D:xz D:z2 D:yz -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -9.150 -9.150 -2.893 -2.893 -2.893 -2.893 -2.893 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 63 60 51 54 51 51 65 56 55 57 63 52 57 51 61 56 63 18 9 4 56 59 59 57 61 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O O O Nb Nb Nb Nb Nb -0.498 0.00 564 A 8.66 7.09 6.75 3.91 3.34 2.80 2.49 2.43 1.97 1.72 1.68 1.61 1.51 1.25 1.22 1.22 1.16 1.13 1.08 1.01 2 2 2 2 2 1 2 2 2 1 2 2 1 1 1 2 2 2 2 1 D:yz D:yz D:z2 D:xz D:x2-y2 P:x D:z2 D:x2-y2 D:z2 P:y D:yz D:xy P:z P:x P:z D:z2 D:yz D:xz D:xz P:y -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -9.150 -9.150 -9.150 -2.893 -2.893 -2.893 -2.893 -9.150 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 63 60 53 53 55 1 54 59 60 30 61 53 5 13 18 61 56 61 59 46 Nb Nb Nb Nb Nb O Nb Nb Nb O Nb Nb O O O Nb Nb Nb Nb O -0.480 0.00 565 A 8.43 8.31 7.88 6.99 5.64 5.44 4.03 4.00 3.94 3.00 2.81 2.70 2.12 1.83 1.76 1.74 1.72 1.43 1.27 1.27 1.25 1.20 1.19 1.07 2 2 2 2 2 1 2 1 2 1 1 2 5 1 1 3 3 2 2 3 3 2 1 3 D:x2-y2 D:x2-y2 D:xy D:yz D:yz P:y D:xz P:x D:xy P:z P:y D:xz S P:y P:y D:x2-y2 D:x2-y2 D:z2 D:xy D:xy D:yz D:x2-y2 P:x D:yz -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -9.150 -2.893 -9.150 -9.150 -2.893 -3.937 -9.150 -9.150 3.340 3.340 -2.893 -2.893 3.340 3.340 -2.893 -9.150 3.340 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.00 1.33 1.33 0.00 0.00 0.80 0.80 0.00 0.00 0.80 1.33 0.00 57 65 57 57 65 25 57 9 65 9 17 65 50 26 9 57 65 62 56 57 57 56 25 65 Nb Nb Nb Nb Nb O Nb O Nb O O Nb Nb O O Nb Nb Nb Nb Nb Nb Nb O Nb -0.466 0.00 566 A 9.38 5.36 5.30 5.09 4.95 4.77 2.96 2.48 2.47 2.42 2.02 1.94 1.84 1.84 1.83 1.75 1.67 1.63 1.56 1.51 1.46 1.45 1.27 1.19 1.19 1.01 2 2 2 2 2 2 1 2 5 2 2 2 2 3 1 1 2 1 1 2 2 2 1 1 1 2 D:x2-y2 D:x2-y2 D:xz D:xz D:x2-y2 D:yz P:y D:xz S D:xz D:x2-y2 D:x2-y2 D:xy D:x2-y2 P:y P:x D:yz P:y P:x D:yz D:x2-y2 D:x2-y2 P:x P:y P:y D:z2 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -3.937 -2.893 -2.893 -2.893 -2.893 3.340 -9.150 -9.150 -2.893 -9.150 -9.150 -2.893 -2.893 -2.893 -9.150 -9.150 -9.150 -2.893 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.00 0.80 0.80 0.80 0.80 0.00 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 64 61 61 59 54 54 45 55 58 64 59 58 64 64 18 13 64 35 45 59 63 55 16 20 16 53 Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb O O Nb O O Nb Nb Nb O O O Nb -0.454 0.00 567 A 20.57 6.97 6.36 5.23 3.13 2.90 2.89 2.63 2.32 2.10 2.03 1.96 1.67 1.59 1.56 1.40 1.31 1.26 1.19 1.04 2 1 2 2 2 1 2 3 1 2 2 5 2 1 2 2 1 2 6 2 D:yz P:z D:z2 D:x2-y2 D:x2-y2 P:z D:xy D:yz P:y D:yz D:z2 S D:xz P:y D:yz D:xy P:x D:yz S D:xz -2.893 -9.150 -2.893 -2.893 -2.893 -9.150 -2.893 3.340 -9.150 -2.893 -2.893 -3.937 -2.893 -9.150 -2.893 -2.893 -9.150 -2.893 1.436 -2.893 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.00 1.33 0.80 0.80 1.00 0.80 1.33 0.80 0.80 1.33 0.80 0.00 0.80 63 5 63 63 64 48 53 63 34 64 64 53 63 5 54 63 45 61 53 53 Nb O Nb Nb Nb O Nb Nb O Nb Nb Nb Nb O Nb Nb O Nb Nb Nb -0.392 0.00 568 A 18.35 11.71 8.38 7.15 4.23 3.84 3.73 3.72 3.09 2.67 1.82 1.77 1.70 1.67 1.43 1.39 1.34 1.34 1.04 2 2 2 2 1 3 1 2 1 1 3 1 5 2 3 1 2 2 1 D:z2 D:z2 D:z2 D:x2-y2 P:z D:z2 P:x D:xy P:z P:z D:z2 P:z S D:xy D:z2 P:z D:z2 D:yz P:y -2.893 -2.893 -2.893 -2.893 -9.150 3.340 -9.150 -2.893 -9.150 -9.150 3.340 -9.150 -3.937 -2.893 3.340 -9.150 -2.893 -2.893 -9.150 0.80 0.80 0.80 0.80 1.33 0.00 1.33 0.80 1.33 1.33 0.00 1.33 1.00 0.80 0.00 1.33 0.80 0.80 1.33 62 51 65 62 8 62 8 62 11 2 65 25 50 65 51 4 50 51 8 Nb Nb Nb Nb O Nb O Nb O O Nb O Nb Nb Nb O Nb Nb O -0.348 0.00 569 A 7.99 6.84 4.85 4.39 3.62 3.49 3.21 2.94 2.65 2.38 2.38 2.31 1.92 1.88 1.60 1.47 1.45 1.41 1.36 1.23 1.09 1.08 1.08 1.01 1.00 2 2 2 2 2 2 2 2 2 2 1 1 1 2 1 5 2 1 2 1 1 1 2 3 3 D:z2 D:z2 D:x2-y2 D:z2 D:x2-y2 D:x2-y2 D:xz D:x2-y2 D:yz D:yz P:y P:x P:z D:yz P:x S D:xy P:y D:xy P:y P:z P:z D:xz D:z2 D:z2 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -9.150 -9.150 -2.893 -9.150 -3.937 -2.893 -9.150 -2.893 -9.150 -9.150 -9.150 -2.893 3.340 3.340 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.00 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.00 0.00 55 54 61 59 54 53 55 64 54 63 29 16 16 59 43 54 59 13 54 18 5 13 61 55 59 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O O O Nb O Nb Nb O Nb O O O Nb Nb Nb -0.329 0.00 570 A 12.61 12.04 9.84 7.64 4.81 3.16 2.98 2.94 2.89 2.45 2.36 2.35 1.92 1.71 1.52 1.49 1.41 1.38 1.33 1.22 1.17 1.12 1.09 1.08 1.03 1.02 2 2 2 1 2 2 1 1 3 2 5 2 3 1 1 1 2 2 3 2 1 5 2 1 3 2 D:xy D:yz D:yz P:y D:yz D:xy P:y P:y D:yz D:x2-y2 S D:x2-y2 D:xy P:z P:z P:y D:z2 D:z2 D:yz D:xy P:y S D:xy P:z D:yz D:yz -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -9.150 -9.150 3.340 -2.893 -3.937 -2.893 3.340 -9.150 -9.150 -9.150 -2.893 -2.893 3.340 -2.893 -9.150 -3.937 -2.893 -9.150 3.340 -2.893 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.00 0.80 1.00 0.80 0.00 1.33 1.33 1.33 0.80 0.80 0.00 0.80 1.33 1.00 0.80 1.33 0.00 0.80 62 62 51 8 57 51 14 4 62 51 56 62 62 9 10 10 57 62 51 56 15 57 57 14 57 56 Nb Nb Nb O Nb Nb O O Nb Nb Nb Nb Nb O O O Nb Nb Nb Nb O Nb Nb O Nb Nb -0.220 0.00 571 A 11.40 10.94 7.45 7.18 6.23 5.54 3.85 3.77 3.09 2.62 2.38 1.95 1.95 1.92 1.74 1.69 1.59 1.58 1.47 1.17 1.11 1.02 1.02 1.01 2 2 2 2 2 1 2 1 2 1 1 3 5 1 1 3 2 1 3 3 1 5 2 2 D:xz D:xz D:x2-y2 D:x2-y2 D:yz P:x D:xy P:x D:yz P:y P:y D:xz S P:y P:x D:x2-y2 D:yz P:y D:x2-y2 D:xz P:x S D:x2-y2 D:x2-y2 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -9.150 -2.893 -9.150 -9.150 3.340 -3.937 -9.150 -9.150 3.340 -2.893 -9.150 3.340 3.340 -9.150 -3.937 -2.893 -2.893 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.00 1.00 1.33 1.33 0.00 0.80 1.33 0.00 0.00 1.33 1.00 0.80 0.80 55 59 59 55 55 43 55 13 59 13 43 59 58 3 12 55 61 20 59 55 33 61 53 61 Nb Nb Nb Nb Nb O Nb O Nb O O Nb Nb O O Nb Nb O Nb Nb O Nb Nb Nb -0.147 0.00 572 A 17.36 7.33 6.07 5.75 4.29 3.70 3.58 2.84 2.79 2.48 2.35 1.80 1.73 1.64 1.62 1.60 1.51 1.45 1.34 1.32 1.26 1.15 1.14 1.10 1.03 1.00 2 2 2 2 1 2 1 3 1 2 1 2 2 3 3 5 3 2 1 2 2 1 2 2 1 1 D:z2 D:z2 D:z2 D:z2 P:z D:xy P:z D:z2 P:z D:xz P:z D:xz D:xy D:z2 D:z2 S D:z2 D:xy P:y D:xz D:yz P:z D:yz D:xy P:x P:z -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -9.150 3.340 -9.150 -2.893 -9.150 -2.893 -2.893 3.340 3.340 -3.937 3.340 -2.893 -9.150 -2.893 -2.893 -9.150 -2.893 -2.893 -9.150 -9.150 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.00 1.33 0.80 1.33 0.80 0.80 0.00 0.00 1.00 0.00 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 54 59 55 64 42 64 36 54 16 55 45 64 59 59 55 59 64 54 13 61 53 13 59 55 16 43 Nb Nb Nb Nb O Nb O Nb O Nb O Nb Nb Nb Nb Nb Nb Nb O Nb Nb O Nb Nb O O -0.028 0.00 573 A 12.32 7.68 7.10 4.43 3.86 3.70 3.56 2.81 2.58 2.35 2.31 2.04 2.03 1.98 1.84 1.77 1.41 1.30 1.28 1.26 1.21 1.14 1.11 1.10 1.05 1.05 1.04 1.02 2 2 2 2 2 1 1 2 2 1 3 2 1 2 2 2 3 2 5 2 3 1 1 1 2 5 6 1 D:yz D:z2 D:xy D:yz D:x2-y2 P:z P:y D:xy D:z2 P:z D:yz D:x2-y2 P:y D:z2 D:xy D:xy D:z2 D:yz S D:xz D:xy P:x P:y P:x D:xz S S P:x -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -9.150 -2.893 -2.893 -9.150 3.340 -2.893 -9.150 -2.893 -2.893 -2.893 3.340 -2.893 -3.937 -2.893 3.340 -9.150 -9.150 -9.150 -2.893 -3.937 1.436 -9.150 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.00 0.80 1.33 0.80 0.80 0.80 0.00 0.80 1.00 0.80 0.00 1.33 1.33 1.33 0.80 1.00 0.00 1.33 65 57 57 62 51 6 19 65 56 15 65 62 11 62 62 51 57 50 52 62 57 10 2 26 65 63 63 9 Nb Nb Nb Nb Nb O O Nb Nb O Nb Nb O Nb Nb Nb Nb Nb Nb Nb Nb O O O Nb Nb Nb O 0.010 0.00 574 A 16.04 4.84 3.67 3.44 3.04 2.93 2.83 2.82 2.71 2.49 2.44 2.37 2.26 2.17 2.09 1.99 1.52 1.48 1.40 1.39 1.25 -1.25 1.14 1.10 1.09 1.07 2 2 2 2 1 3 2 2 1 2 1 1 2 2 2 2 1 2 5 2 2 4 1 2 1 1 D:x2-y2 D:x2-y2 D:x2-y2 D:yz P:y D:x2-y2 D:xz D:xy P:x D:xy P:z P:y D:z2 D:z2 D:yz D:xz P:x D:x2-y2 S D:xy D:z2 P:x P:z D:xz P:y P:x -2.893 -2.893 -2.893 -2.893 -9.150 3.340 -2.893 -2.893 -9.150 -2.893 -9.150 -9.150 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -3.937 -2.893 -2.893 -0.671 -9.150 -2.893 -9.150 -9.150 0.80 0.80 0.80 0.80 1.33 0.00 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.00 0.80 0.80 0.00 1.33 0.80 1.33 1.33 61 59 54 64 37 61 64 54 44 61 44 18 58 64 61 61 18 64 64 63 63 64 18 55 42 21 Nb Nb Nb Nb O Nb Nb Nb O Nb O O Nb Nb Nb Nb O Nb Nb Nb Nb Nb O Nb O O 0.045 0.00 575 A 11.43 8.94 4.40 3.79 3.52 2.91 2.58 2.42 2.39 2.02 1.99 1.93 1.91 1.86 1.74 -1.67 1.66 1.64 1.55 1.49 1.28 1.24 1.18 1.18 1.09 1.03 1.03 1.02 1.02 1.00 2 2 2 2 2 1 2 1 2 3 3 1 5 1 2 5 1 6 2 2 2 1 1 1 5 2 2 6 2 1 D:z2 D:x2-y2 D:yz D:xz D:x2-y2 P:x D:z2 P:y D:yz D:x2-y2 D:z2 P:z S P:z D:xy S P:z S D:xy D:xy D:x2-y2 P:x P:x P:x S D:yz D:xy S D:yz P:y -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -9.150 -2.893 3.340 3.340 -9.150 -3.937 -9.150 -2.893 -3.937 -9.150 1.436 -2.893 -2.893 -2.893 -9.150 -9.150 -9.150 -3.937 -2.893 -2.893 1.436 -2.893 -9.150 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.00 0.00 1.33 1.00 1.33 0.80 1.00 1.33 0.00 0.80 0.80 0.80 1.33 1.33 1.33 1.00 0.80 0.80 0.00 0.80 1.33 61 64 61 59 55 44 64 21 59 64 61 37 63 33 58 58 18 63 53 59 59 3 13 36 53 63 61 55 55 45 Nb Nb Nb Nb Nb O Nb O Nb Nb Nb O Nb O Nb Nb O Nb Nb Nb Nb O O O Nb Nb Nb Nb Nb O 0.065 0.00 576 A 9.04 8.27 6.32 5.96 5.32 4.52 4.26 3.90 3.72 3.30 2.48 2.24 2.10 1.84 1.75 1.72 1.63 1.44 1.29 1.28 1.28 1.21 1.19 1.09 1.04 2 2 2 2 1 1 2 2 1 2 1 3 2 2 3 2 1 5 2 3 1 1 1 3 5 D:xy D:yz D:x2-y2 D:x2-y2 P:x P:y D:xz D:xy P:y D:xz P:z D:xy D:z2 D:yz D:xz D:xy P:z S D:z2 D:yz P:z P:x P:y D:x2-y2 S -2.893 -2.893 -2.893 -2.893 -9.150 -9.150 -2.893 -2.893 -9.150 -2.893 -9.150 3.340 -2.893 -2.893 3.340 -2.893 -9.150 -3.937 -2.893 3.340 -9.150 -9.150 -9.150 3.340 -3.937 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.00 0.80 0.80 0.00 0.80 1.33 1.00 0.80 0.00 1.33 1.33 1.33 0.00 1.00 65 57 57 65 6 25 57 56 17 65 9 65 62 65 57 57 26 52 65 57 6 9 6 57 57 Nb Nb Nb Nb O O Nb Nb O Nb O Nb Nb Nb Nb Nb O Nb Nb Nb O O O Nb Nb 0.136 0.00 577 A 11.18 7.89 6.98 6.24 5.85 4.69 4.56 4.46 4.27 4.05 3.77 3.63 3.53 3.15 -3.05 3.00 2.78 -2.63 2.36 2.32 -2.26 2.10 -2.07 2.07 -2.01 -1.99 -1.89 1.86 -1.80 1.77 -1.74 -1.65 1.36 1.27 1.20 1.17 1.16 1.14 1.12 1.07 -1.07 -1.04 1.02 1.02 2 6 5 6 2 5 1 2 6 5 2 6 2 6 6 1 5 2 5 1 5 2 5 3 5 6 2 6 2 6 5 6 1 6 6 2 2 4 5 1 2 4 1 3 D:z2 S S S D:z2 S P:x D:z2 S S D:x2-y2 S D:x2-y2 S S P:z S S S P:z S D:z2 S D:z2 S S S S S S S S P:x S S D:xy D:xy P:x S P:z S P:x P:x D:z2 -2.893 1.436 -3.937 1.436 -2.893 -3.937 -9.150 -2.893 1.436 -3.937 -2.893 1.436 -2.893 1.436 1.436 -9.150 -3.937 3.434 -3.937 -9.150 -3.937 -2.893 -3.937 3.340 -3.937 1.436 3.434 1.436 3.434 1.436 -3.937 1.436 -9.150 1.436 1.436 -2.893 -2.893 -0.671 -3.937 -9.150 3.434 -0.671 -9.150 3.340 0.80 0.00 1.00 0.00 0.80 1.00 1.33 0.80 0.00 1.00 0.80 0.00 0.80 0.00 0.00 1.33 1.00 0.00 1.00 1.33 1.00 0.80 1.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 1.33 0.00 0.00 0.80 0.80 0.00 1.00 1.33 0.00 0.00 1.33 0.00 65 52 63 63 62 52 19 63 60 62 62 53 65 62 58 11 53 69 60 25 56 51 51 65 58 56 71 59 67 54 50 51 25 65 64 65 63 50 64 8 73 62 8 62 Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb Nb O Nb H Nb O Nb Nb Nb Nb Nb Nb H Nb H Nb Nb Nb O Nb Nb Nb Nb Nb Nb O H Nb O Nb 0.164 0.00 578 A 9.13 6.06 5.81 5.34 5.28 5.07 4.53 4.30 4.02 3.84 3.71 3.54 3.44 -2.90 -2.76 2.69 2.63 2.28 2.20 -2.08 2.00 1.81 -1.81 1.68 1.65 1.59 1.57 -1.55 -1.47 -1.39 1.38 1.38 -1.37 1.35 1.32 1.23 -1.03 2 5 2 6 6 6 5 6 2 6 1 2 5 6 2 1 5 2 5 6 6 2 2 2 6 5 3 2 5 5 1 2 5 2 6 1 1 D:z2 S D:z2 S S S S S D:z2 S P:x D:x2-y2 S S S P:z S D:z2 S S S D:z2 S D:x2-y2 S S D:z2 S S S P:x D:z2 S D:yz S P:z S -2.893 -3.937 -2.893 1.436 1.436 1.436 -3.937 1.436 -2.893 1.436 -9.150 -2.893 -3.937 1.436 3.434 -9.150 -3.937 -2.893 -3.937 1.436 1.436 -2.893 3.434 -2.893 1.436 -3.937 3.340 3.434 -3.937 -3.937 -9.150 -2.893 -3.937 -2.893 1.436 -9.150 -6.607 0.80 1.00 0.80 0.00 0.00 0.00 1.00 0.00 0.80 0.00 1.33 0.80 1.00 0.00 0.00 1.33 1.00 0.80 1.00 0.00 0.00 0.80 0.00 0.80 0.00 1.00 0.00 0.00 1.00 1.00 1.33 0.80 1.00 0.80 0.00 1.33 1.00 65 63 63 50 53 63 53 60 51 51 19 65 50 52 68 11 60 62 51 58 59 64 67 62 64 64 65 71 58 55 25 59 52 62 54 25 68 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb H O Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb H Nb Nb O Nb Nb Nb Nb O H 0.205 0.00 579 A 9.23 8.71 6.86 6.17 5.69 5.53 4.75 -4.01 3.93 3.13 3.01 2.92 2.56 2.52 2.51 2.46 2.45 2.25 1.92 1.80 1.71 1.66 -1.43 1.42 1.29 1.28 1.08 1.06 1.06 -1.02 2 2 2 1 2 2 2 6 1 1 2 6 5 5 6 3 1 1 3 1 3 2 5 1 6 5 6 1 5 3 D:yz D:xy D:x2-y2 P:x D:xy D:yz D:z2 S P:z P:x D:yz S S S S D:xy P:z P:y D:xy P:y D:yz D:x2-y2 S P:y S S S P:y S D:xy -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 1.436 -9.150 -9.150 -2.893 1.436 -3.937 -3.937 1.436 3.340 -9.150 -9.150 3.340 -9.150 3.340 -2.893 -3.937 -9.150 1.436 -3.937 1.436 -9.150 -3.937 3.340 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.00 1.33 1.33 0.80 0.00 1.00 1.00 0.00 0.00 1.33 1.33 0.00 1.33 0.00 0.80 1.00 1.33 0.00 1.00 0.00 1.33 1.00 0.00 57 62 57 15 57 51 57 52 10 9 62 56 51 56 51 62 9 8 57 14 57 62 52 15 63 62 60 10 63 56 Nb Nb Nb O Nb Nb Nb Nb O O Nb Nb Nb Nb Nb Nb O O Nb O Nb Nb Nb O Nb Nb Nb O Nb Nb 0.218 0.00 580 A 8.77 6.46 6.26 5.38 5.36 4.10 4.01 3.97 3.63 2.79 2.76 -2.23 -2.19 -2.07 1.90 1.86 1.73 1.63 -1.63 -1.58 1.57 1.56 1.56 1.48 1.40 1.37 -1.35 1.35 1.25 1.20 1.13 1.12 -1.11 1.06 6 6 5 2 6 2 2 5 6 2 5 5 6 2 1 2 6 5 2 2 6 2 6 2 1 2 2 2 2 2 1 3 1 2 S S S D:z2 S D:z2 D:xz S S D:yz S S S S P:x D:xz S S S S S D:xy S D:z2 P:z D:yz S D:z2 D:xy D:xz P:z D:z2 S D:xy 1.436 1.436 -3.937 -2.893 1.436 -2.893 -2.893 -3.937 1.436 -2.893 -3.937 -3.937 1.436 3.434 -9.150 -2.893 1.436 -3.937 3.434 3.434 1.436 -2.893 1.436 -2.893 -9.150 -2.893 3.434 -2.893 -2.893 -2.893 -9.150 3.340 -6.607 -2.893 0.00 0.00 1.00 0.80 0.00 0.80 0.80 1.00 0.00 0.80 1.00 1.00 0.00 0.00 1.33 0.80 0.00 1.00 0.00 0.00 0.00 0.80 0.00 0.80 1.33 0.80 0.00 0.80 0.80 0.80 1.33 0.00 1.00 0.80 60 54 60 64 63 59 64 54 50 61 63 56 56 67 21 61 51 50 72 69 62 64 55 55 45 63 68 63 63 54 36 64 72 57 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H O Nb Nb Nb H H Nb Nb Nb Nb O Nb H Nb Nb Nb O Nb H Nb 0.255 0.00 581 A 7.77 7.34 5.46 4.05 3.90 3.63 3.42 2.82 2.67 2.21 2.19 2.14 -2.10 2.07 2.01 1.93 1.86 1.78 1.70 1.56 1.46 1.46 1.37 1.32 1.31 1.13 1.05 1.01 2 2 2 2 2 2 2 2 2 2 2 4 3 2 2 2 1 6 2 2 2 5 1 4 4 2 1 6 D:xy D:xy D:x2-y2 D:yz D:xy D:xz D:z2 D:xz D:xz D:z2 D:xy P:y S D:z2 D:xz S P:x S D:x2-y2 D:yz D:x2-y2 S P:y P:x P:z D:xy P:z S -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -0.671 22.754 -2.893 -2.893 -25.716 -9.150 1.436 -2.893 -2.893 -2.893 -3.937 -9.150 -0.671 -0.671 -2.893 -9.150 1.436 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.80 0.80 2.00 1.33 0.00 0.80 0.80 0.80 1.00 1.33 0.00 0.00 0.80 1.33 0.00 60 56 57 65 65 50 56 51 62 60 50 57 49 57 65 49 25 63 56 50 51 63 9 65 65 57 25 65 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb O O Nb Nb Nb Nb Nb O Nb Nb Nb O Nb 0.303 0.00 582 A 9.18 7.11 5.75 4.95 4.09 4.02 3.12 2.61 2.44 2.41 2.41 2.36 2.27 2.16 2.05 2.00 1.94 1.93 1.76 1.63 1.41 1.35 1.28 -1.21 1.19 1.17 -1.17 1.08 1.06 1.05 1.01 2 2 2 2 2 2 2 1 5 2 1 1 2 1 5 1 1 3 3 1 1 2 1 6 2 6 4 1 2 3 1 D:xz D:xz D:z2 D:x2-y2 D:xz D:x2-y2 D:yz P:x S D:xy P:y P:z D:z2 P:z S P:z P:x D:xz D:xz P:z P:x D:xy P:y S D:xz S P:x P:y D:yz D:x2-y2 P:z -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -3.937 -2.893 -9.150 -9.150 -2.893 -9.150 -3.937 -9.150 -9.150 3.340 3.340 -9.150 -9.150 -2.893 -9.150 1.436 -2.893 1.436 -0.671 -9.150 -2.893 3.340 -9.150 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.00 0.80 1.33 1.33 0.80 1.33 1.00 1.33 1.33 0.00 0.00 1.33 1.33 0.80 1.33 0.00 0.80 0.00 0.00 1.33 0.80 0.00 1.33 61 55 54 59 59 61 61 33 59 55 3 18 59 42 55 3 13 61 59 33 21 64 20 53 64 55 59 18 63 61 36 Nb Nb Nb Nb Nb Nb Nb O Nb Nb O O Nb O Nb O O Nb Nb O O Nb O Nb Nb Nb Nb O Nb Nb O 0.337 0.00 583 A 9.46 7.04 4.77 3.72 3.71 3.16 2.87 2.22 1.99 1.73 1.67 1.61 1.58 1.56 1.52 1.46 1.43 1.37 1.31 1.27 1.24 1.23 1.19 1.19 1.18 1.18 1.17 1.14 1.11 1.11 1.10 1.05 1.03 1.00 2 2 2 2 2 2 2 1 2 2 2 2 2 3 6 2 5 1 1 1 2 4 1 1 4 2 1 2 1 5 1 1 2 6 D:z2 D:x2-y2 D:yz D:xy D:xy D:z2 D:z2 P:y D:yz D:yz D:xz D:xy D:x2-y2 D:x2-y2 S D:xy S P:z P:z P:x D:z2 P:z P:x P:z P:y D:x2-y2 P:z D:yz P:z S P:z P:z D:xy S -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -9.150 -2.893 -2.893 -2.893 -2.893 -2.893 3.340 1.436 -2.893 -3.937 -9.150 -9.150 -9.150 -2.893 -0.671 -9.150 -9.150 -0.671 -2.893 -9.150 -2.893 -9.150 -3.937 -9.150 -9.150 -2.893 1.436 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.80 1.00 1.33 1.33 1.33 0.80 0.00 1.33 1.33 0.00 0.80 1.33 0.80 1.33 1.00 1.33 1.33 0.80 0.00 63 61 63 63 64 59 64 5 59 55 61 59 59 61 60 61 58 45 34 33 55 63 18 5 63 54 36 54 42 60 33 3 54 58 Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb Nb Nb O O O Nb Nb O O Nb Nb O Nb O Nb O O Nb Nb 0.448 0.00 584 A 17.49 13.79 6.60 5.70 5.68 5.50 3.74 -3.06 3.00 2.55 2.30 2.19 2.15 -2.07 1.97 1.94 1.81 -1.80 1.80 1.79 -1.77 1.76 1.59 1.59 1.58 1.51 1.51 1.50 1.47 -1.37 -1.26 1.22 1.13 1.09 1.09 6 5 6 6 6 6 5 6 2 5 2 2 6 5 5 6 2 5 5 2 2 6 1 6 2 2 2 6 2 5 5 5 2 5 1 S S S S S S S S D:xy S D:z2 D:xy S S S S D:xy S S D:x2-y2 S S S S S D:xz D:xy S D:yz S S S D:xz S P:x 1.436 -3.937 1.436 1.436 1.436 1.436 -3.937 1.436 -2.893 -3.937 -2.893 -2.893 1.436 -3.937 -3.937 1.436 -2.893 -3.937 -3.937 -2.893 3.434 1.436 -6.607 1.436 3.434 -2.893 -2.893 1.436 -2.893 -3.937 -3.937 -3.937 -2.893 -3.937 -9.150 0.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 0.80 1.00 0.80 0.80 0.00 1.00 1.00 0.00 0.80 1.00 1.00 0.80 0.00 0.00 1.00 0.00 0.00 0.80 0.80 0.00 0.80 1.00 1.00 1.00 0.80 1.00 1.33 60 60 65 56 58 62 58 52 61 63 63 58 63 53 56 59 54 52 65 63 67 51 70 57 70 64 64 55 54 64 61 55 58 62 18 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb H Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb O 0.544 0.00 585 A 17.59 14.69 11.19 -7.57 6.25 6.22 5.35 4.20 4.11 4.02 3.51 3.17 3.09 3.09 2.15 2.08 -1.83 -1.78 1.74 1.59 -1.40 1.29 1.24 1.16 1.16 1.02 6 6 6 5 6 6 5 6 6 6 2 6 5 6 2 2 5 3 2 6 5 2 2 6 5 2 S S S S S S S S S S D:xy S S S D:z2 D:xy S S D:xy S S S D:xz S S D:xz 1.436 1.436 1.436 -3.937 1.436 1.436 -3.937 1.436 1.436 1.436 -2.893 1.436 -3.937 1.436 -2.893 -2.893 -3.937 22.754 -2.893 1.436 -3.937 -25.716 -2.893 1.436 -3.937 -2.893 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 0.80 0.00 1.00 0.00 0.80 0.80 1.00 0.00 0.80 0.00 1.00 2.00 0.80 0.00 1.00 0.80 61 64 59 58 54 55 61 65 62 57 61 56 64 50 63 58 55 24 64 51 54 24 64 53 59 54 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb O Nb Nb Nb Nb 0.597 0.00 586 A 14.45 14.03 13.61 13.11 12.55 12.46 5.32 5.29 -5.13 5.01 3.59 -3.26 3.09 2.64 2.43 -2.10 1.88 -1.81 -1.75 -1.64 1.62 -1.49 -1.48 -1.38 1.27 1.22 -1.20 -1.16 -1.15 1.09 1.09 1.02 6 6 6 5 6 5 5 5 2 6 6 2 6 5 6 1 5 4 4 5 2 6 5 5 6 2 4 4 1 1 5 2 S S S S S S S S S S S S S S S S S P:y P:y S D:xy S S S S D:z2 P:y P:y S S S D:yz 1.436 1.436 1.436 -3.937 1.436 -3.937 -3.937 -3.937 3.434 1.436 1.436 3.434 1.436 -3.937 1.436 -6.607 -3.937 -0.671 -0.671 -3.937 -2.893 1.436 -3.937 -3.937 1.436 -2.893 -0.671 -0.671 -6.607 -6.607 -3.937 -2.893 0.00 0.00 0.00 1.00 0.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 1.00 0.80 0.00 1.00 1.00 0.00 0.80 0.00 0.00 1.00 1.00 1.00 0.80 57 60 63 60 50 63 57 50 68 51 54 67 62 54 65 68 53 56 63 62 61 52 65 58 53 63 60 52 67 70 51 59 Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb H Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H H Nb Nb 0.701 0.00 587 A 10.35 7.69 6.55 6.24 5.70 5.34 5.15 4.67 4.11 3.75 3.33 3.16 2.54 2.25 2.18 2.08 1.84 1.55 1.52 -1.51 1.50 1.42 1.02 1.01 1.01 6 5 6 6 5 6 2 2 2 6 2 6 2 2 5 5 6 5 6 2 5 6 1 2 2 S S S S S S D:xy D:xz D:xz S D:z2 S D:xz D:xz S S S S S S S S P:x D:xy D:xy 1.436 -3.937 1.436 1.436 -3.937 1.436 -2.893 -2.893 -2.893 1.436 -2.893 1.436 -2.893 -2.893 -3.937 -3.937 1.436 -3.937 1.436 3.434 -3.937 1.436 -9.150 -2.893 -2.893 0.00 1.00 0.00 0.00 1.00 0.00 0.80 0.80 0.80 0.00 0.80 0.00 0.80 0.80 1.00 1.00 0.00 1.00 0.00 0.00 1.00 0.00 1.33 0.80 0.80 65 63 61 64 65 63 60 50 65 59 60 62 62 51 61 64 55 50 50 68 62 56 46 51 62 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb O Nb Nb 0.733 0.00 588 A 9.74 7.64 7.41 6.69 6.34 5.68 5.60 5.22 5.17 4.84 4.26 3.88 3.87 3.38 3.22 -3.21 3.12 2.99 2.75 2.69 2.47 2.03 -1.36 -1.27 1.27 -1.23 -1.19 -1.19 1.18 -1.11 1.09 -1.06 -1.01 -1.01 6 6 5 6 6 5 2 6 5 6 5 2 5 6 5 2 2 6 5 2 2 2 4 4 2 4 4 1 6 4 5 2 5 4 S S S S S S D:xz S S S S D:xy S S S S D:xz S S D:xz D:z2 D:xz P:z P:z D:xy P:z P:z S S P:x S S S P:y 1.436 1.436 -3.937 1.436 1.436 -3.937 -2.893 1.436 -3.937 1.436 -3.937 -2.893 -3.937 1.436 -3.937 3.434 -2.893 1.436 -3.937 -2.893 -2.893 -2.893 -0.671 -0.671 -2.893 -0.671 -0.671 -6.607 1.436 -0.671 -3.937 3.434 -3.937 -0.671 0.00 0.00 1.00 0.00 0.00 1.00 0.80 0.00 1.00 0.00 1.00 0.80 1.00 0.00 1.00 0.00 0.80 0.00 1.00 0.80 0.80 0.80 0.00 0.00 0.80 0.00 0.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 57 53 57 65 51 63 65 63 53 54 50 60 54 59 65 68 62 50 51 51 60 50 52 54 51 50 56 68 56 53 59 67 56 56 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb H Nb Nb 0.761 0.00 589 A 10.61 10.15 9.01 7.57 7.30 6.96 6.35 5.87 5.70 5.16 4.00 3.29 2.91 2.70 2.54 2.40 -2.09 1.91 1.89 -1.76 1.61 -1.57 -1.41 1.37 -1.36 -1.35 -1.34 1.30 1.25 -1.20 -1.20 -1.18 -1.17 1.15 -1.15 1.02 -1.01 6 6 5 6 5 6 5 5 6 6 6 5 6 5 5 5 4 5 6 2 5 4 4 2 4 4 4 2 6 4 4 4 4 2 2 2 4 S S S S S S S S S S S S S S S S P:z S S S S P:z P:z D:xz P:x P:z P:z D:xz S P:x P:z P:x P:x D:xz S D:xy P:z 1.436 1.436 -3.937 1.436 -3.937 1.436 -3.937 -3.937 1.436 1.436 1.436 -3.937 1.436 -3.937 -3.937 -3.937 -0.671 -3.937 1.436 3.434 -3.937 -0.671 -0.671 -2.893 -0.671 -0.671 -0.671 -2.893 1.436 -0.671 -0.671 -0.671 -0.671 -2.893 3.434 -2.893 -0.671 0.00 0.00 1.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 1.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.80 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.80 0.00 52 64 52 51 54 54 64 51 62 55 61 61 50 62 56 55 54 50 53 66 53 55 50 65 61 52 51 50 57 52 63 54 51 54 69 51 64 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb 0.832 0.00 590 A 11.79 9.64 9.04 7.31 4.69 2.90 2.50 2.35 2.20 2.14 2.10 2.09 -1.93 1.89 1.87 1.82 1.82 1.70 1.60 1.60 1.60 1.57 1.54 1.53 1.48 -1.36 1.13 1.09 2 2 5 5 2 2 4 6 2 6 4 4 6 5 2 2 6 2 2 2 6 5 2 2 4 6 2 5 D:xz D:xz S S D:x2-y2 D:xy P:z S D:xy S P:x P:x S S D:xz D:x2-y2 S D:x2-y2 D:xz D:yz S S D:xz D:z2 P:z S D:z2 S -2.893 -2.893 -3.937 -3.937 -2.893 -2.893 -0.671 1.436 -2.893 1.436 -0.671 -0.671 1.436 -3.937 -2.893 -2.893 1.436 -2.893 -2.893 -2.893 1.436 -3.937 -2.893 -2.893 -0.671 1.436 -2.893 -3.937 0.80 0.80 1.00 1.00 0.80 0.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 1.00 0.80 0.80 0.00 0.80 0.80 0.80 0.00 1.00 0.80 0.80 0.00 0.00 0.80 1.00 57 56 62 65 65 50 62 62 65 59 51 62 51 59 62 62 53 50 51 57 65 53 60 65 51 50 62 51 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb 0.848 0.00 591 A 20.63 11.56 5.23 4.28 4.14 3.57 2.70 2.49 2.40 2.34 -2.20 2.15 1.89 1.84 1.84 1.80 -1.74 1.71 1.67 1.62 1.57 1.57 1.55 1.51 1.46 1.42 1.32 1.30 -1.29 1.25 1.19 -1.13 -1.13 1.11 1.07 5 6 5 2 2 2 6 2 2 2 4 2 5 4 2 2 4 2 6 5 6 2 2 5 4 6 2 2 4 6 2 4 6 4 2 S S S D:xy D:yz D:xy S D:z2 D:xy D:xz P:y D:yz S P:z D:yz D:xy P:y D:yz S S S D:z2 D:x2-y2 S P:z S D:xz D:xz P:y S D:xy P:y S P:x D:xz -3.937 1.436 -3.937 -2.893 -2.893 -2.893 1.436 -2.893 -2.893 -2.893 -0.671 -2.893 -3.937 -0.671 -2.893 -2.893 -0.671 -2.893 1.436 -3.937 1.436 -2.893 -2.893 -3.937 -0.671 1.436 -2.893 -2.893 -0.671 1.436 -2.893 -0.671 1.436 -0.671 -2.893 1.00 0.00 1.00 0.80 0.80 0.80 0.00 0.80 0.80 0.80 0.00 0.80 1.00 0.00 0.80 0.80 0.00 0.80 0.00 1.00 0.00 0.80 0.80 1.00 0.00 0.00 0.80 0.80 0.00 0.00 0.80 0.00 0.00 0.00 0.80 61 61 59 54 64 64 63 64 55 59 58 54 58 59 55 59 64 59 64 64 59 63 54 62 55 62 58 55 55 58 61 54 55 58 54 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb 0.887 0.00 592 A 10.48 7.45 7.04 7.00 4.70 4.58 4.08 3.64 3.59 3.41 -3.16 2.50 2.36 1.84 1.76 1.74 1.51 1.31 1.08 5 2 2 5 2 2 5 2 2 6 6 2 6 6 5 6 2 2 2 S D:xy D:xy S D:yz D:xz S D:xz D:z2 S S D:yz S S S S D:z2 D:z2 D:xz -3.937 -2.893 -2.893 -3.937 -2.893 -2.893 -3.937 -2.893 -2.893 1.436 1.436 -2.893 1.436 1.436 -3.937 1.436 -2.893 -2.893 -2.893 1.00 0.80 0.80 1.00 0.80 0.80 1.00 0.80 0.80 0.00 0.00 0.80 0.00 0.00 1.00 0.00 0.80 0.80 0.80 64 59 55 59 61 58 61 61 61 59 54 58 61 64 65 65 58 59 53 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb 0.918 0.00 593 A 13.25 12.10 10.86 6.84 4.37 2.86 2.40 2.08 1.70 1.58 1.55 1.49 1.46 1.45 1.44 1.42 -1.39 1.37 1.35 1.30 1.30 1.28 1.26 1.26 1.09 1.07 -1.07 1.03 5 5 2 6 6 5 2 2 6 2 2 2 2 2 5 2 6 2 1 1 2 4 1 6 2 6 4 2 S S D:xy S S S D:z2 D:xy S D:xy D:x2-y2 D:xy D:x2-y2 D:x2-y2 S D:x2-y2 S D:xy P:x P:y D:x2-y2 P:y P:x S D:xz S P:y D:x2-y2 -3.937 -3.937 -2.893 1.436 1.436 -3.937 -2.893 -2.893 1.436 -2.893 -2.893 -2.893 -2.893 -2.893 -3.937 -2.893 1.436 -2.893 -9.150 -9.150 -2.893 -0.671 -9.150 1.436 -2.893 1.436 -0.671 -2.893 1.00 1.00 0.80 0.00 0.00 1.00 0.80 0.80 0.00 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.00 0.80 1.33 1.33 0.80 0.00 1.33 0.00 0.80 0.00 0.00 0.80 65 57 60 65 57 54 60 51 54 62 51 50 62 50 63 52 56 55 41 9 57 56 46 52 60 63 65 60 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O O Nb Nb O Nb Nb Nb Nb Nb 0.941 0.00 594 A 9.95 7.03 7.02 7.00 6.83 6.75 5.53 5.31 4.86 4.71 4.14 3.61 3.41 2.83 -2.27 -2.15 -2.07 -2.06 2.03 -1.84 1.82 -1.81 1.71 -1.59 1.52 1.51 1.47 1.41 1.36 -1.34 1.34 -1.28 1.19 1.14 1.08 -1.06 1.06 1.05 1.03 1.01 5 5 6 6 6 5 5 6 6 5 5 6 6 6 4 4 4 4 2 4 5 4 6 4 2 5 2 1 5 5 2 4 2 6 2 2 2 6 5 2 S S S S S S S S S S S S S S P:x P:y P:y P:y S P:y S P:y S P:y D:xy S D:z2 S S S D:yz P:y D:yz S D:x2-y2 S D:xz S S D:x2-y2 -3.937 -3.937 1.436 1.436 1.436 -3.937 -3.937 1.436 1.436 -3.937 -3.937 1.436 1.436 1.436 -0.671 -0.671 -0.671 -0.671 3.434 -0.671 -3.937 -0.671 1.436 -0.671 -2.893 -3.937 -2.893 -6.607 -3.937 -3.937 -2.893 -0.671 -2.893 1.436 -2.893 3.434 -2.893 1.436 -3.937 -2.893 1.00 1.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.80 1.00 0.80 1.00 1.00 1.00 0.80 0.00 0.80 0.00 0.80 0.00 0.80 0.00 1.00 0.80 56 55 55 53 64 53 64 56 54 58 54 58 59 57 60 64 59 58 70 53 50 61 50 54 54 59 64 70 62 60 64 55 62 61 65 67 60 62 57 54 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb 0.980 0.00 595 A 19.67 17.49 14.80 14.21 10.58 8.99 7.80 6.46 -3.23 3.14 3.01 2.62 -2.45 -2.38 -2.35 -2.20 -2.19 -1.92 1.85 1.73 -1.66 -1.58 1.49 1.37 1.33 -1.33 -1.29 -1.13 1.13 1.10 -1.09 -1.00 6 5 5 6 6 5 6 5 4 5 5 6 4 4 4 4 4 4 6 6 2 4 5 2 2 4 5 4 2 5 4 6 S S S S S S S S P:z S S S P:z P:z P:z P:z P:z P:z S S S P:z S D:z2 D:yz P:z S P:x D:xz S P:z S 1.436 -3.937 -3.937 1.436 1.436 -3.937 1.436 -3.937 -0.671 -3.937 -3.937 1.436 -0.671 -0.671 -0.671 -0.671 -0.671 -0.671 1.436 1.436 3.434 -0.671 -3.937 -2.893 -2.893 -0.671 -3.937 -0.671 -2.893 -3.937 -0.671 1.436 0.00 1.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.80 0.80 0.00 1.00 0.00 0.80 1.00 0.00 0.00 62 51 62 51 59 59 55 55 62 57 54 57 59 65 51 57 55 64 54 64 66 61 60 65 57 54 52 62 56 64 58 52 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb 1.055 0.00 596 A 10.78 9.57 9.48 8.26 6.47 5.89 4.36 4.25 3.78 -3.60 3.34 3.31 3.19 2.99 2.66 2.60 2.43 -2.40 2.34 2.08 2.03 1.96 1.81 -1.75 1.74 -1.72 1.67 1.62 -1.48 -1.39 1.33 1.20 -1.15 1.14 1.08 1.05 1.04 6 6 5 5 5 5 2 6 6 4 6 5 5 5 5 2 1 4 2 6 5 2 2 4 6 4 2 2 4 5 2 6 4 6 2 2 2 S S S S S S D:x2-y2 S S P:y S S S S S D:xy S P:y D:xy S S D:xy D:z2 P:y S P:y D:x2-y2 S P:y S D:z2 S P:x S D:yz D:x2-y2 D:xz 1.436 1.436 -3.937 -3.937 -3.937 -3.937 -2.893 1.436 1.436 -0.671 1.436 -3.937 -3.937 -3.937 -3.937 -2.893 -6.607 -0.671 -2.893 1.436 -3.937 -2.893 -2.893 -0.671 1.436 -0.671 -2.893 3.434 -0.671 -3.937 -2.893 1.436 -0.671 1.436 -2.893 -2.893 -2.893 0.00 0.00 1.00 1.00 1.00 1.00 0.80 0.00 0.00 0.00 0.00 1.00 1.00 1.00 1.00 0.80 1.00 0.00 0.80 0.00 1.00 0.80 0.80 0.00 0.00 0.00 0.80 0.00 0.00 1.00 0.80 0.00 0.00 0.00 0.80 0.80 0.80 65 57 57 65 50 60 52 53 55 57 50 53 64 55 62 60 70 65 51 52 58 52 52 62 58 50 57 70 60 63 60 64 64 62 60 60 57 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb 1.134 0.00 597 A 16.43 15.45 7.82 6.44 5.76 5.28 4.85 4.78 4.68 4.57 4.52 4.25 4.17 -4.03 3.54 3.06 -2.83 2.75 -2.64 -2.60 2.60 2.53 2.52 2.37 2.24 -2.18 1.81 -1.79 -1.70 1.67 -1.66 1.53 1.50 1.43 1.40 -1.39 -1.32 -1.31 1.29 1.24 -1.14 -1.10 1.09 -1.05 5 6 5 5 6 6 6 5 5 6 5 5 6 6 6 6 5 6 4 4 5 6 2 5 2 4 5 4 2 6 4 2 2 5 6 4 4 4 2 5 4 3 2 4 S S S S S S S S S S S S S S S S S S P:y P:x S S D:xz S D:yz P:x S P:y S S P:x D:xy D:xy S S P:x P:x P:x D:xz S P:y D:xy D:xy P:y -3.937 1.436 -3.937 -3.937 1.436 1.436 1.436 -3.937 -3.937 1.436 -3.937 -3.937 1.436 1.436 1.436 1.436 -3.937 1.436 -0.671 -0.671 -3.937 1.436 -2.893 -3.937 -2.893 -0.671 -3.937 -0.671 3.434 1.436 -0.671 -2.893 -2.893 -3.937 1.436 -0.671 -0.671 -0.671 -2.893 -3.937 -0.671 3.340 -2.893 -0.671 1.00 0.00 1.00 1.00 0.00 0.00 0.00 1.00 1.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 0.80 1.00 0.80 0.00 1.00 0.00 0.00 0.00 0.00 0.80 0.80 1.00 0.00 0.00 0.00 0.00 0.80 1.00 0.00 0.00 0.80 0.00 61 61 62 56 62 56 58 58 57 64 63 50 57 52 50 55 52 53 61 61 51 51 54 64 64 62 65 64 68 65 54 53 55 55 54 60 50 57 55 53 65 56 59 57 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb 1.218 0.00 598 A 15.58 11.47 8.46 8.03 7.64 7.48 6.58 5.84 5.62 5.60 5.44 5.34 4.53 4.25 3.65 -3.62 -3.14 2.78 2.42 -2.33 -1.96 -1.93 1.93 -1.85 -1.71 1.67 -1.63 1.62 1.54 -1.48 1.16 -1.15 -1.12 -1.09 -1.09 6 5 5 5 5 6 6 5 6 6 5 5 6 5 6 4 4 6 6 4 4 4 2 4 4 6 5 2 2 4 2 4 4 3 5 S S S S S S S S S S S S S S S P:x P:x S S P:z P:z P:x D:xz P:x P:z S S D:z2 D:z2 P:z D:x2-y2 P:x P:y D:xz S 1.436 -3.937 -3.937 -3.937 -3.937 1.436 1.436 -3.937 1.436 1.436 -3.937 -3.937 1.436 -3.937 1.436 -0.671 -0.671 1.436 1.436 -0.671 -0.671 -0.671 -2.893 -0.671 -0.671 1.436 -3.937 -2.893 -2.893 -0.671 -2.893 -0.671 -0.671 3.340 -3.937 0.00 1.00 1.00 1.00 1.00 0.00 0.00 1.00 0.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 1.00 0.80 0.80 0.00 0.80 0.00 0.00 0.00 1.00 51 51 59 65 57 59 65 64 52 62 62 53 53 52 64 51 65 50 57 62 59 57 51 64 65 58 54 62 60 64 52 55 57 50 56 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb 1.277 0.00 599 A 9.26 8.82 8.11 8.06 4.68 4.64 4.23 3.80 3.25 3.21 3.05 2.96 2.61 2.45 2.36 2.26 2.26 2.18 2.14 2.13 2.07 2.00 1.84 -1.69 -1.65 -1.63 1.60 1.55 1.52 -1.33 1.27 -1.24 1.24 1.22 1.20 -1.17 -1.13 1.12 -1.05 1.05 -1.05 -1.05 1.01 1.01 2 5 5 6 6 5 5 6 6 5 6 5 2 2 5 5 6 1 5 1 2 2 6 4 4 4 2 6 2 6 6 4 5 3 2 2 3 2 4 2 4 4 6 4 D:z2 S S S S S S S S S S S D:xz D:x2-y2 S S S P:x S P:x D:xy D:z2 S P:z P:x P:x D:z2 S D:yz S S P:x S D:z2 D:x2-y2 S D:xz D:xz P:x D:xz P:y P:y S P:x -2.893 -3.937 -3.937 1.436 1.436 -3.937 -3.937 1.436 1.436 -3.937 1.436 -3.937 -2.893 -2.893 -3.937 -3.937 1.436 -9.150 -3.937 -9.150 -2.893 -2.893 1.436 -0.671 -0.671 -0.671 -2.893 1.436 -2.893 1.436 1.436 -0.671 -3.937 3.340 -2.893 3.434 3.340 -2.893 -0.671 -2.893 -0.671 -0.671 1.436 -0.671 0.80 1.00 1.00 0.00 0.00 1.00 1.00 0.00 0.00 1.00 0.00 1.00 0.80 0.80 1.00 1.00 0.00 1.33 1.00 1.33 0.80 0.80 0.00 0.00 0.00 0.00 0.80 0.00 0.80 0.00 0.00 0.00 1.00 0.00 0.80 0.00 0.00 0.80 0.00 0.80 0.00 0.00 0.00 0.00 60 59 55 59 55 54 58 54 62 53 58 63 60 52 62 51 57 30 52 46 52 52 50 59 59 53 65 51 60 52 63 56 50 56 57 67 53 62 62 65 59 61 60 60 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb O Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb 1.280 0.00 600 A 13.40 9.09 8.21 7.28 5.39 4.67 3.84 3.70 3.29 3.08 2.94 2.88 2.77 2.48 2.29 2.21 2.09 -1.84 1.69 -1.60 -1.34 1.26 -1.25 1.24 1.20 1.19 -1.16 1.09 1.08 1.08 1.07 1.05 5 6 6 5 5 5 6 5 5 2 2 6 6 2 6 5 4 3 2 4 6 2 4 5 1 2 4 2 1 1 2 2 S S S S S S S S S D:x2-y2 D:xy S S D:xz S S P:y D:x2-y2 D:z2 P:y S D:yz P:z S S D:xy P:x D:xz S P:y D:z2 D:xy -3.937 1.436 1.436 -3.937 -3.937 -3.937 1.436 -3.937 -3.937 -2.893 -2.893 1.436 1.436 -2.893 1.436 -3.937 -0.671 3.340 -2.893 -0.671 1.436 -2.893 -0.671 -3.937 -6.607 -2.893 -0.671 -2.893 -6.607 -9.150 -2.893 -2.893 1.00 0.00 0.00 1.00 1.00 1.00 0.00 1.00 1.00 0.80 0.80 0.00 0.00 0.80 0.00 1.00 0.00 0.00 0.80 0.00 0.00 0.80 0.00 1.00 1.00 0.80 0.00 0.80 1.00 1.33 0.80 0.80 58 58 54 54 59 55 51 51 53 63 63 56 55 63 63 56 63 58 60 54 53 60 54 65 72 58 60 64 70 5 58 52 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb H O Nb Nb 1.358 0.00 601 A 11.93 10.06 6.56 6.08 4.98 4.41 -4.39 3.95 3.90 3.86 3.64 3.39 3.21 3.07 2.54 2.28 2.25 2.11 2.05 -1.87 1.86 1.83 1.78 -1.71 1.55 -1.53 1.49 1.45 1.42 -1.41 1.35 1.32 1.23 1.21 1.19 1.13 1.09 1.07 1.04 -1.02 -1.01 5 6 6 5 5 5 4 6 5 5 2 6 6 5 6 2 2 2 5 4 5 2 6 4 1 3 2 2 2 4 6 5 6 2 6 2 2 1 6 4 3 S S S S S S P:x S S S D:xz S S S S D:yz D:xy D:xy S P:x S D:xz S P:x S D:x2-y2 S D:xy D:xy P:z S S S D:xz S D:xz D:yz P:z S P:z D:xz -3.937 1.436 1.436 -3.937 -3.937 -3.937 -0.671 1.436 -3.937 -3.937 -2.893 1.436 1.436 -3.937 1.436 -2.893 -2.893 -2.893 -3.937 -0.671 -3.937 -2.893 1.436 -0.671 -6.607 3.340 3.434 -2.893 -2.893 -0.671 1.436 -3.937 1.436 -2.893 1.436 -2.893 -2.893 -9.150 1.436 -0.671 3.340 1.00 0.00 0.00 1.00 1.00 1.00 0.00 0.00 1.00 1.00 0.80 0.00 0.00 1.00 0.00 0.80 0.80 0.80 1.00 0.00 1.00 0.80 0.00 0.00 1.00 0.00 0.00 0.80 0.80 0.00 0.00 1.00 0.00 0.80 0.00 0.80 0.80 1.33 0.00 0.00 0.00 64 64 55 65 51 50 64 58 55 58 60 51 59 52 65 61 54 64 59 63 62 64 50 65 70 58 70 53 63 55 52 56 63 63 53 61 60 46 62 59 58 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb 1.460 0.00 602 A 7.76 7.20 7.00 6.19 5.80 5.42 4.78 3.80 3.42 3.27 2.88 -2.81 2.51 2.45 2.33 2.31 2.27 2.19 2.04 2.04 1.86 1.85 -1.73 -1.68 1.60 1.55 1.52 1.39 1.37 1.23 1.17 1.17 1.12 1.11 -1.08 -1.01 6 5 5 2 5 2 6 2 2 4 1 2 5 1 2 5 5 6 5 2 1 6 1 4 1 2 6 2 2 6 2 6 2 5 6 4 S S S D:xz S D:z2 S D:yz D:xy P:z P:z S S P:z S S S S S D:xz S S S P:x P:z D:yz S D:x2-y2 D:x2-y2 S D:xy S D:x2-y2 S S P:y 1.436 -3.937 -3.937 -2.893 -3.937 -2.893 1.436 -2.893 -2.893 -0.671 -9.150 3.434 -3.937 -9.150 3.434 -3.937 -3.937 1.436 -3.937 -2.893 -6.607 1.436 -6.607 -0.671 -9.150 -2.893 1.436 -2.893 -2.893 1.436 -2.893 1.436 -2.893 -3.937 1.436 -0.671 0.00 1.00 1.00 0.80 1.00 0.80 0.00 0.80 0.80 0.00 1.33 0.00 1.00 1.33 0.00 1.00 1.00 0.00 1.00 0.80 1.00 0.00 1.00 0.00 1.33 0.80 0.00 0.80 0.80 0.00 0.80 0.00 0.80 1.00 0.00 0.00 53 53 50 60 55 60 50 60 53 60 46 67 52 30 70 63 64 57 58 53 70 55 67 53 41 56 58 52 63 65 63 52 60 65 63 57 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O H Nb O H Nb Nb Nb Nb Nb H Nb H Nb O Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb 1.473 0.00 603 A 17.13 6.21 6.01 4.87 4.46 4.10 3.93 3.71 3.41 2.88 2.82 2.81 2.71 -2.34 2.13 2.08 1.79 1.78 1.78 1.70 1.57 1.33 -1.29 1.18 1.10 1.08 1.01 1.00 2 4 6 5 5 1 1 5 2 6 2 6 1 4 2 5 5 5 2 5 2 6 2 2 5 2 6 6 D:xz P:z S S S P:z P:z S D:xy S D:yz S P:z P:z D:x2-y2 S S S D:xz S D:xy S P:z D:yz S D:xz S S -2.893 -0.671 1.436 -3.937 -3.937 -9.150 -9.150 -3.937 -2.893 1.436 -2.893 1.436 -9.150 -0.671 -2.893 -3.937 -3.937 -3.937 -2.893 -3.937 -2.893 1.436 11.126 -2.893 -3.937 -2.893 1.436 1.436 0.80 0.00 0.00 1.00 1.00 1.33 1.33 1.00 0.80 0.00 0.80 0.00 1.33 0.00 0.80 1.00 1.00 1.00 0.80 1.00 0.80 0.00 0.00 0.80 1.00 0.80 0.00 0.00 60 60 55 55 50 30 46 52 53 59 60 50 41 55 60 59 63 58 53 65 54 60 41 61 61 61 58 52 Nb Nb Nb Nb Nb O O Nb Nb Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb Nb 1.517 0.00 604 A 29.79 18.14 14.20 8.70 -7.74 7.37 6.88 6.65 6.54 5.73 5.62 -4.39 3.89 -3.25 2.92 -2.82 -2.70 2.61 -2.53 2.49 2.41 -1.94 -1.88 -1.82 1.77 -1.76 1.57 -1.57 -1.53 -1.49 -1.41 1.35 -1.33 -1.28 -1.21 1.18 1.18 1.16 -1.08 -1.06 1.05 -1.02 1.01 -1.00 5 5 5 5 5 6 6 6 5 6 5 4 6 5 5 4 4 6 4 5 1 4 4 2 3 6 7 4 4 2 4 1 2 4 2 2 6 6 4 4 6 4 2 4 S S S S S S S S S S S P:x S S S P:y P:x S P:y S S P:z P:y S D:x2-y2 S S P:z P:y S P:x S S P:y S D:xy S S P:x P:z S P:x D:xy P:x -3.937 -3.937 -3.937 -3.937 -3.937 1.436 1.436 1.436 -3.937 1.436 -3.937 -0.671 1.436 -3.937 -3.937 -0.671 -0.671 1.436 -0.671 -3.937 -6.607 -0.671 -0.671 3.434 3.340 1.436 10.233 -0.671 -0.671 3.434 -0.671 -6.607 3.434 -0.671 3.434 -2.893 1.436 1.436 -0.671 -0.671 1.436 -0.671 -2.893 -0.671 1.00 1.00 1.00 1.00 1.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 52 53 50 55 63 55 50 53 61 52 58 53 54 60 54 50 61 61 60 57 71 50 63 69 53 63 52 55 55 67 52 72 73 54 68 61 58 60 57 59 59 58 53 62 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb H Nb Nb Nb Nb Nb H Nb H H Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb 1.579 0.00 605 A 11.37 10.35 8.38 4.97 4.57 4.20 3.66 3.59 -3.05 2.98 2.52 2.49 2.45 -2.38 1.97 1.93 1.90 -1.78 1.66 1.62 1.52 1.43 1.41 1.37 1.36 1.33 1.33 1.31 1.29 1.28 1.27 1.23 1.20 -1.13 1.12 1.10 1.09 1.07 1.07 -1.04 5 5 2 6 2 5 1 6 4 6 5 5 2 4 1 1 2 4 5 2 5 6 2 5 2 1 2 6 3 6 6 2 2 5 2 2 2 6 2 4 S S D:xy S D:xz S S S P:z S S S D:xz P:x P:y P:x D:z2 P:z S S S S D:x2-y2 S D:yz S D:xz S D:z2 S S D:yz D:z2 S D:x2-y2 D:xz D:xy S S P:z -3.937 -3.937 -2.893 1.436 -2.893 -3.937 -6.607 1.436 -0.671 1.436 -3.937 -3.937 -2.893 -0.671 -9.150 -9.150 -2.893 -0.671 -3.937 3.434 -3.937 1.436 -2.893 -3.937 -2.893 -6.607 -2.893 1.436 3.340 1.436 1.436 -2.893 -2.893 -3.937 -2.893 -2.893 -2.893 1.436 3.434 -0.671 1.00 1.00 0.80 0.00 0.80 1.00 1.00 0.00 0.00 0.00 1.00 1.00 0.80 0.00 1.33 1.33 0.80 0.00 1.00 0.00 1.00 0.00 0.80 1.00 0.80 1.00 0.80 0.00 0.00 0.00 0.00 0.80 0.80 1.00 0.80 0.80 0.80 0.00 0.00 0.00 51 56 53 51 60 53 72 56 51 62 50 62 62 62 48 29 53 63 55 72 52 50 52 57 53 73 53 53 52 52 57 63 63 60 60 52 61 58 73 62 Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb O O Nb Nb Nb H Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb 1.679 0.00 606 A 39.49 24.19 9.37 9.06 -6.79 5.02 4.40 4.20 3.66 -3.55 -3.53 3.37 -3.27 -3.24 -2.99 -2.52 2.44 2.36 2.16 -2.13 2.08 1.95 1.89 1.87 -1.84 1.76 -1.59 -1.57 1.52 1.49 1.46 1.44 1.41 -1.40 -1.36 -1.35 1.26 1.23 -1.17 1.16 -1.11 -1.01 5 6 5 5 4 6 2 6 5 5 4 1 3 5 4 4 6 2 5 5 6 2 6 2 6 5 6 5 2 1 2 2 2 4 4 4 2 7 4 6 5 3 S S S S P:y S D:xy S S S P:x S D:xy S P:x P:x S D:x2-y2 S S S S S D:xy S S S S D:z2 P:y D:xz D:xy D:x2-y2 P:x P:y P:y D:xz S P:y S S D:z2 -3.937 1.436 -3.937 -3.937 -0.671 1.436 -2.893 1.436 -3.937 -3.937 -0.671 -6.607 3.340 -3.937 -0.671 -0.671 1.436 -2.893 -3.937 -3.937 1.436 3.434 1.436 -2.893 1.436 -3.937 1.436 -3.937 -2.893 -9.150 -2.893 -2.893 -2.893 -0.671 -0.671 -0.671 -2.893 10.233 -0.671 1.436 -3.937 3.340 1.00 0.00 1.00 1.00 0.00 0.00 0.80 0.00 1.00 1.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 0.80 1.00 1.00 0.00 0.00 0.00 0.80 0.00 1.00 0.00 1.00 0.80 1.33 0.80 0.80 0.80 0.00 0.00 0.00 0.80 0.00 0.00 0.00 1.00 0.00 56 56 54 52 60 52 53 54 55 51 60 71 56 50 61 62 55 63 57 53 61 71 57 60 51 60 62 61 63 48 52 61 57 65 56 63 53 56 62 60 65 56 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb 1.795 0.00 607 A 10.39 8.72 5.96 5.69 4.44 3.49 3.28 3.26 2.65 2.49 2.46 -2.01 1.98 1.74 1.70 1.60 1.57 1.39 1.34 1.30 1.28 1.22 1.15 1.13 -1.12 1.09 1.01 1.00 2 2 5 1 2 4 1 2 2 1 2 5 6 2 2 1 2 4 2 1 2 2 2 2 4 6 6 2 D:yz D:xz S S D:yz P:z P:z D:z2 D:yz P:z D:x2-y2 S S D:xz D:xy P:z D:z2 P:y D:z2 P:y D:x2-y2 D:xz D:xy D:xz P:y S S D:xy -2.893 -2.893 -3.937 -6.607 -2.893 -0.671 -9.150 -2.893 -2.893 -9.150 -2.893 -3.937 1.436 -2.893 -2.893 -9.150 -2.893 -0.671 -2.893 -9.150 -2.893 -2.893 -2.893 -2.893 -0.671 1.436 1.436 -2.893 0.80 0.80 1.00 1.00 0.80 0.00 1.33 0.80 0.80 1.33 0.80 1.00 0.00 0.80 0.80 1.33 0.80 0.00 0.80 1.33 0.80 0.80 0.80 0.80 0.00 0.00 0.00 0.80 53 53 56 72 61 53 1 53 58 20 63 53 56 58 58 39 58 53 59 1 53 52 63 59 54 58 53 64 Nb Nb Nb H Nb Nb O Nb Nb O Nb Nb Nb Nb Nb O Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb Nb 1.828 0.00 608 A 24.35 11.41 9.57 7.72 7.53 6.26 5.72 5.50 5.33 5.29 4.97 -3.70 -2.98 -2.69 2.55 -2.42 -2.35 2.30 2.19 2.17 2.14 -2.08 -2.04 -2.02 2.00 -1.92 -1.89 1.89 1.86 1.86 1.83 1.78 -1.73 -1.69 1.62 1.59 1.51 -1.42 -1.39 -1.39 -1.34 1.31 1.27 1.24 -1.21 -1.16 -1.14 1.12 1.09 1.06 -1.04 1.01 5 5 5 6 5 6 5 6 5 5 6 4 4 4 6 4 2 6 2 2 2 3 3 4 3 4 4 3 4 6 5 5 5 4 5 2 7 2 6 4 4 2 2 3 5 4 4 3 6 2 1 1 S S S S S S S S S S S P:x P:x P:x S P:y S S D:xy D:xy D:z2 D:xz D:x2-y2 P:z D:x2-y2 P:x P:x D:x2-y2 P:x S S S S P:x S D:xy S S S P:x P:x D:xz D:yz D:xz S P:z P:z D:x2-y2 S S S P:x -3.937 -3.937 -3.937 1.436 -3.937 1.436 -3.937 1.436 -3.937 -3.937 1.436 -0.671 -0.671 -0.671 1.436 -0.671 3.434 1.436 -2.893 -2.893 -2.893 3.340 3.340 -0.671 3.340 -0.671 -0.671 3.340 -0.671 1.436 -3.937 -3.937 -3.937 -0.671 -3.937 -2.893 10.233 3.434 1.436 -0.671 -0.671 -2.893 -2.893 3.340 -3.937 -0.671 -0.671 3.340 1.436 3.434 -6.607 -9.150 1.00 1.00 1.00 0.00 1.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 1.00 0.00 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.80 0.80 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 1.33 52 58 63 52 54 58 60 53 56 51 54 64 52 63 56 64 73 60 64 53 63 53 58 51 55 55 62 64 53 51 55 53 59 65 50 61 52 69 55 57 60 61 53 54 65 54 61 61 61 72 73 35 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H H O 1.934 0.00 609 A 31.85 13.58 11.43 9.94 9.80 -9.53 7.08 6.60 -5.19 4.89 4.85 4.22 4.18 -4.12 3.67 -3.52 -2.85 2.76 2.43 -2.17 -2.09 1.96 1.94 1.83 -1.75 1.69 -1.64 1.58 -1.53 -1.44 -1.30 1.29 -1.19 1.18 -1.14 1.09 -1.07 1.05 -1.02 -1.00 5 5 5 5 6 4 5 6 5 1 5 3 6 3 2 3 6 2 3 4 4 6 2 5 4 7 4 6 5 3 4 5 4 2 3 3 5 3 4 5 S S S S S P:x S S S S S D:x2-y2 S D:x2-y2 S D:x2-y2 S D:xz D:yz P:x P:y S D:xy S P:y S P:y S S D:z2 P:x S P:x D:yz D:x2-y2 D:x2-y2 S D:z2 P:z S -3.937 -3.937 -3.937 -3.937 1.436 -0.671 -3.937 1.436 -3.937 -6.607 -3.937 3.340 1.436 3.340 3.434 3.340 1.436 -2.893 3.340 -0.671 -0.671 1.436 -2.893 -3.937 -0.671 10.233 -0.671 1.436 -3.937 3.340 -0.671 -3.937 -0.671 -2.893 3.340 3.340 -3.937 3.340 -0.671 -3.937 1.00 1.00 1.00 1.00 0.00 0.00 1.00 0.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.80 1.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.80 0.00 0.00 1.00 0.00 0.00 1.00 58 63 52 50 58 64 54 52 56 70 60 64 50 58 70 63 56 58 56 56 54 53 61 53 63 58 58 54 51 63 62 55 63 58 50 54 59 62 54 57 Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb 1.946 0.00 610 A 7.87 6.90 6.85 6.35 5.99 5.62 4.94 4.46 3.89 3.29 3.02 2.72 2.43 2.31 -2.14 2.13 -2.07 1.99 1.98 1.96 1.95 1.77 1.51 1.31 -1.30 -1.23 1.08 1.07 -1.04 1.01 2 5 5 2 5 5 1 2 2 2 2 6 1 2 4 2 6 6 2 1 2 2 2 2 4 4 3 1 6 5 D:xz S S D:z2 S S S D:xy D:x2-y2 D:yz D:x2-y2 S P:y D:z2 P:y S S S D:xy S D:z2 D:xz D:xy D:x2-y2 P:y P:x D:x2-y2 P:x S S -2.893 -3.937 -3.937 -2.893 -3.937 -3.937 -6.607 -2.893 -2.893 -2.893 -2.893 1.436 -9.150 -2.893 -0.671 3.434 1.436 1.436 -2.893 -6.607 -2.893 -2.893 -2.893 -2.893 -0.671 -0.671 3.340 -9.150 1.436 -3.937 0.80 1.00 1.00 0.80 1.00 1.00 1.00 0.80 0.80 0.80 0.80 0.00 1.33 0.80 0.00 0.00 0.00 0.00 0.80 1.00 0.80 0.80 0.80 0.80 0.00 0.00 0.00 1.33 0.00 1.00 52 56 63 60 58 50 70 60 52 60 65 58 38 52 56 70 63 56 50 66 65 62 52 60 63 64 60 23 52 52 Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb O Nb Nb H Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb O Nb Nb 2.106 0.00 611 A 11.28 6.10 4.57 3.74 3.60 3.45 3.26 3.13 2.74 2.62 2.55 2.39 -2.20 2.12 1.90 1.66 1.64 1.52 1.46 1.40 1.40 1.37 1.30 1.23 1.15 -1.11 1.04 1.04 -1.00 2 2 2 6 2 1 1 2 2 5 2 1 4 2 2 5 3 2 1 6 6 2 1 3 1 4 1 1 4 D:xz D:xz D:yz S D:xy S S D:xy D:xy S D:xy P:z P:z S D:yz S D:yz S S S S D:x2-y2 P:y D:xz P:x P:x P:y P:x P:y -2.893 -2.893 -2.893 1.436 -2.893 -6.607 -6.607 -2.893 -2.893 -3.937 -2.893 -9.150 -0.671 3.434 -2.893 -3.937 3.340 3.434 -6.607 1.436 1.436 -2.893 -9.150 3.340 -9.150 -0.671 -9.150 -9.150 -0.671 0.80 0.80 0.80 0.00 0.80 1.00 1.00 0.80 0.80 1.00 0.80 1.33 0.00 0.00 0.80 1.00 0.00 0.00 1.00 0.00 0.00 0.80 1.33 0.00 1.33 0.00 1.33 1.33 0.00 50 65 50 65 55 68 71 50 59 50 65 49 63 73 65 53 63 71 73 63 50 50 49 58 49 62 23 2 63 Nb Nb Nb Nb Nb H H Nb Nb Nb Nb O Nb H Nb Nb Nb H H Nb Nb Nb O Nb O Nb O O Nb 2.156 0.00 612 A 10.06 6.58 5.38 4.67 4.29 4.12 4.02 3.95 3.93 3.48 3.36 2.94 -2.81 2.79 -2.69 2.40 2.23 2.11 2.08 2.05 1.85 1.85 1.73 -1.30 1.23 1.19 1.19 1.12 1.10 1.09 -1.09 1.08 1.07 1.05 -1.03 -1.01 1.00 2 2 2 2 2 6 2 5 2 1 3 2 5 3 4 2 2 3 3 1 3 2 2 4 6 2 2 1 3 1 4 3 1 3 4 2 1 D:xy D:xy D:z2 D:xz D:xy S D:xy S D:yz P:z D:yz D:z2 S D:z2 P:z D:xz D:yz D:z2 D:z2 P:z D:xz D:xz D:xz P:z S D:xy D:yz P:x D:yz P:y P:y D:xz P:y D:xz P:x P:z S -2.893 -2.893 -2.893 -2.893 -2.893 1.436 -2.893 -3.937 -2.893 -9.150 3.340 -2.893 -3.937 3.340 -0.671 -2.893 -2.893 3.340 3.340 -9.150 3.340 -2.893 -2.893 -0.671 1.436 -2.893 -2.893 -9.150 3.340 -9.150 -0.671 3.340 -9.150 3.340 -0.671 11.126 -6.607 0.80 0.80 0.80 0.80 0.80 0.00 0.80 1.00 0.80 1.33 0.00 0.80 1.00 0.00 0.00 0.80 0.80 0.00 0.00 1.33 0.00 0.80 0.80 0.00 0.00 0.80 0.80 1.33 0.00 1.33 0.00 0.00 1.33 0.00 0.00 0.00 1.00 54 55 54 55 59 63 64 58 54 29 61 64 63 64 61 59 64 55 59 21 61 58 56 58 58 58 55 37 58 44 59 59 28 58 61 29 71 Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb O Nb O Nb Nb O Nb Nb O H 2.182 0.00 613 A 10.25 4.85 4.12 3.92 3.58 3.24 2.99 2.44 2.30 -1.78 1.77 1.67 1.66 1.66 1.58 1.45 1.37 -1.33 1.30 1.23 1.21 -1.19 1.16 1.09 1.08 -1.06 2 2 2 2 2 2 2 5 2 5 3 6 3 2 1 3 2 4 2 2 1 4 3 2 2 5 D:xz D:xz D:xy D:xz D:xy D:xz D:xz S D:xy S D:x2-y2 S D:yz D:x2-y2 S D:x2-y2 D:yz P:y D:xy D:x2-y2 P:z P:y D:z2 D:yz D:z2 S -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -2.893 -3.937 -2.893 -3.937 3.340 1.436 3.340 -2.893 -6.607 3.340 -2.893 -0.671 -2.893 -2.893 -9.150 -0.671 3.340 -2.893 -2.893 -3.937 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 1.00 0.00 0.00 0.00 0.80 1.00 0.00 0.80 0.00 0.80 0.80 1.33 0.00 0.00 0.80 0.80 1.00 56 52 54 57 51 50 51 56 64 53 65 53 65 51 71 61 52 65 62 62 17 53 62 62 62 50 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb O Nb Nb Nb Nb Nb 2.230 0.00 614 A 10.49 7.76 5.54 4.65 4.08 3.95 2.89 2.69 2.59 1.95 1.88 1.79 1.77 1.73 1.70 -1.66 1.54 1.52 -1.43 1.30 1.27 1.19 1.19 -1.18 1.17 1.17 1.13 -1.13 1.11 1.07 -1.06 -1.02 1.00 2 5 2 2 3 2 1 2 5 2 2 2 2 2 2 5 1 1 4 1 2 2 1 4 3 3 2 4 6 2 4 4 2 D:xy S D:xy D:xz D:x2-y2 D:xz S D:xz S D:xy D:xy D:yz S D:xz D:xz S S S P:z P:y D:yz S P:x P:y D:yz D:z2 D:yz P:z S D:xz P:x P:z D:xy -2.893 -3.937 -2.893 -2.893 3.340 -2.893 -6.607 -2.893 -3.937 -2.893 -2.893 -2.893 3.434 -2.893 -2.893 -3.937 -6.607 -6.607 -0.671 -9.150 -2.893 3.434 -9.150 -0.671 3.340 3.340 -2.893 -0.671 1.436 -2.893 -0.671 -0.671 -2.893 0.80 1.00 0.80 0.80 0.00 0.80 1.00 0.80 1.00 0.80 0.80 0.80 0.00 0.80 0.80 1.00 1.00 1.00 0.00 1.33 0.80 0.00 1.33 0.00 0.00 0.00 0.80 0.00 0.00 0.80 0.00 0.00 0.80 55 53 59 56 61 57 72 55 58 54 50 50 72 59 50 55 71 70 63 36 64 73 36 61 65 64 57 52 53 65 61 54 64 Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb H Nb Nb Nb H H Nb O Nb H O Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb 2.252 0.00 615 A 6.32 6.06 6.05 4.83 4.08 4.05 3.41 -3.15 -3.09 2.76 2.61 2.59 2.58 2.35 2.33 2.32 2.15 2.14 2.14 2.05 -2.02 -1.96 1.94 -1.92 1.87 1.85 1.83 -1.82 1.73 1.70 1.61 1.57 1.53 1.49 1.45 1.45 1.44 1.36 -1.30 -1.13 1.12 1.11 1.09 1.03 -1.02 3 2 5 1 3 3 2 5 4 2 2 2 5 5 2 1 2 2 6 3 4 4 3 4 2 2 2 4 3 1 2 2 2 2 3 2 1 6 5 4 2 6 5 2 4 D:z2 D:xz S S D:yz D:yz S S P:z D:xy D:xy D:xz S S D:x2-y2 S D:xz D:yz S D:z2 P:y P:z D:z2 P:z D:yz D:xy S P:y D:z2 P:z D:x2-y2 D:x2-y2 D:yz D:z2 D:xy D:xz P:z S S P:y D:xy S S D:xz P:z 3.340 -2.893 -3.937 -6.607 3.340 3.340 3.434 -3.937 -0.671 -2.893 -2.893 -2.893 -3.937 -3.937 -2.893 -6.607 -2.893 -2.893 1.436 3.340 -0.671 -0.671 3.340 -0.671 -2.893 -2.893 3.434 -0.671 3.340 -9.150 -2.893 -2.893 -2.893 -2.893 3.340 -2.893 -9.150 1.436 -3.937 -0.671 -2.893 1.436 -3.937 -2.893 -0.671 0.00 0.80 1.00 1.00 0.00 0.00 0.00 1.00 0.00 0.80 0.80 0.80 1.00 1.00 0.80 1.00 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80 0.00 0.00 0.00 1.33 0.80 0.80 0.80 0.80 0.00 0.80 1.33 0.00 1.00 0.00 0.80 0.00 1.00 0.80 0.00 65 51 58 70 57 56 70 63 65 62 51 62 50 56 51 72 60 62 63 50 65 57 56 56 57 55 72 50 51 32 56 62 51 60 65 50 19 58 53 52 57 60 51 57 60 Nb Nb Nb H Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb O Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb Nb 2.296 0.00 616 A 7.44 6.86 4.22 4.16 3.87 3.78 3.69 -3.31 3.15 3.07 -2.96 2.89 2.89 2.81 2.59 2.40 -2.37 2.30 2.30 2.23 -2.11 2.10 2.02 1.92 1.79 1.75 -1.67 1.62 1.44 1.37 -1.37 1.30 1.18 1.17 1.13 -1.10 1.08 1.07 1.03 1.03 1.02 1.01 5 2 1 2 5 2 3 4 2 2 5 2 2 3 2 2 4 1 3 2 4 2 2 6 2 3 4 1 3 2 4 1 2 3 2 5 2 5 3 1 3 1 S D:x2-y2 S D:x2-y2 S D:xz D:z2 P:y D:xz S S S D:xy D:xz D:xz D:yz P:x S D:yz D:yz P:x D:xz D:xz S D:z2 D:xy P:z P:y D:x2-y2 D:z2 P:y P:y D:xy D:z2 D:xy S D:xz S D:x2-y2 P:y D:xy P:z -3.937 -2.893 -6.607 -2.893 -3.937 -2.893 3.340 -0.671 -2.893 3.434 -3.937 3.434 -2.893 3.340 -2.893 -2.893 -0.671 -6.607 3.340 -2.893 -0.671 -2.893 -2.893 1.436 -2.893 3.340 -0.671 -9.150 3.340 -2.893 -0.671 -9.150 -2.893 3.340 -2.893 -3.937 -2.893 -3.937 3.340 -9.150 3.340 -9.150 1.00 0.80 1.00 0.80 1.00 0.80 0.00 0.00 0.80 0.00 1.00 0.00 0.80 0.00 0.80 0.80 0.00 1.00 0.00 0.80 0.00 0.80 0.80 0.00 0.80 0.00 0.00 1.33 0.00 0.80 0.00 1.33 0.80 0.00 0.80 1.00 0.80 1.00 0.00 1.33 0.00 1.33 58 50 72 65 53 50 62 62 56 73 54 72 50 59 58 54 59 73 62 58 62 65 57 58 50 62 63 23 56 65 51 6 58 64 65 59 54 50 65 26 57 19 Nb Nb H Nb Nb Nb Nb Nb Nb H Nb H Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb O Nb O 2.374 0.00 617 A 9.25 4.63 4.30 -4.08 4.07 3.54 -3.35 3.18 3.11 3.00 2.89 2.74 2.68 2.63 2.40 2.21 2.10 2.08 1.93 1.84 1.83 1.80 -1.77 -1.74 1.74 1.73 1.72 1.70 1.61 1.57 1.51 1.50 1.43 1.36 -1.34 1.34 1.33 1.29 1.28 1.27 -1.19 1.17 -1.15 1.15 -1.12 1.11 -1.06 2 1 2 5 3 2 4 5 1 5 2 2 2 2 1 6 6 1 5 3 5 5 4 5 3 1 3 3 2 2 2 3 2 2 4 2 1 1 1 3 4 3 2 1 5 2 5 D:xz S D:xz S D:yz D:x2-y2 P:y S S S D:xy S D:x2-y2 D:x2-y2 S S S P:y S D:yz S S P:y S D:yz S D:x2-y2 D:xy S D:yz S D:z2 S D:z2 P:x D:x2-y2 S P:y S D:yz P:x D:xy P:y P:z S D:z2 S -2.893 -6.607 -2.893 -3.937 3.340 -2.893 -0.671 -3.937 -6.607 -3.937 -2.893 3.434 -2.893 -2.893 -6.607 1.436 1.436 -9.150 -3.937 3.340 -3.937 -3.937 -0.671 -3.937 3.340 -6.607 3.340 3.340 3.434 -2.893 3.434 3.340 3.434 -2.893 -0.671 -2.893 -6.607 -9.150 -6.607 3.340 -0.671 3.340 11.126 -9.150 -3.937 -2.893 -3.937 0.80 1.00 0.80 1.00 0.00 0.80 0.00 1.00 1.00 1.00 0.80 0.00 0.80 0.80 1.00 0.00 0.00 1.33 1.00 0.00 1.00 1.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.80 0.00 0.80 1.00 1.33 1.00 0.00 0.00 0.00 0.00 1.33 1.00 0.80 1.00 56 70 57 53 51 62 51 54 71 55 51 70 56 51 72 60 53 47 56 52 63 51 62 58 57 66 62 57 66 51 71 59 72 57 57 57 69 15 67 62 62 65 47 15 60 60 62 Nb H Nb Nb Nb Nb Nb Nb H Nb Nb H Nb Nb H Nb Nb O Nb Nb Nb Nb Nb Nb Nb H Nb Nb H Nb H Nb H Nb Nb Nb H O H Nb Nb Nb O O Nb Nb Nb 2.409 0.00 618 A 6.04 4.41 4.23 4.22 3.97 3.93 3.87 3.83 3.75 -3.52 3.08 3.08 3.08 3.02 -2.66 2.60 -2.48 2.48 2.47 2.38 2.36 1.86 1.86 1.80 1.67 -1.67 1.55 1.51 1.50 1.41 1.40 1.34 1.31 1.12 1.11 1.11 -1.11 -1.08 1.07 1.07 1.06 1.02 1.01 2 5 1 2 2 3 3 5 3 4 3 1 2 3 4 2 5 3 3 3 1 3 2 2 3 4 2 2 1 5 3 2 4 6 2 2 4 4 2 2 4 2 3 D:xz S S D:xz D:x2-y2 D:xy D:xy S D:z2 P:x D:x2-y2 S D:x2-y2 D:x2-y2 P:z S S D:z2 D:z2 D:xy S D:x2-y2 D:yz D:z2 D:xz P:y D:xy S P:x S D:z2 D:xy P:z S D:xy D:xy P:y P:x D:x2-y2 S P:x D:x2-y2 D:z2 -2.893 -3.937 -6.607 -2.893 -2.893 3.340 3.340 -3.937 3.340 -0.671 3.340 -6.607 -2.893 3.340 -0.671 3.434 -3.937 3.340 3.340 3.340 -6.607 3.340 -2.893 -2.893 3.340 -0.671 -2.893 3.434 -9.150 -3.937 3.340 -2.893 -0.671 1.436 -2.893 -2.893 -0.671 -0.671 -2.893 3.434 -0.671 -2.893 3.340 0.80 1.00 1.00 0.80 0.80 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.80 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 0.80 0.80 0.00 0.00 0.80 0.00 1.33 1.00 0.00 0.80 0.00 0.00 0.80 0.80 0.00 0.00 0.80 0.00 0.00 0.80 0.00 50 56 70 65 50 57 62 53 62 57 51 72 51 57 65 70 54 65 56 65 71 56 54 50 65 65 62 72 2 58 64 65 56 56 50 51 52 62 65 71 54 62 61 Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb H Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb H O Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb 2.459 0.00 619 A 5.80 5.19 -3.19 3.09 -3.07 3.06 -3.04 2.89 2.79 -2.78 2.69 2.56 2.42 2.05 -2.02 1.95 1.94 1.91 1.84 1.84 1.70 1.53 1.50 1.50 1.49 -1.46 1.45 1.38 1.36 1.22 1.20 1.19 1.16 1.14 1.13 -1.12 1.11 1.11 1.11 1.09 1.09 1.09 1.08 1.06 1.02 -1.02 1.01 1.01 2 2 5 5 5 1 4 3 1 5 2 2 6 3 4 5 2 2 3 2 6 2 3 2 3 5 2 3 3 2 2 2 4 3 2 4 3 2 1 4 2 3 2 2 3 4 3 3 D:xz D:xz S S S S P:x D:yz S S D:xy D:x2-y2 S D:yz P:x S D:z2 D:xz D:x2-y2 D:xy S D:x2-y2 D:x2-y2 D:z2 D:x2-y2 S D:z2 D:x2-y2 D:z2 S D:xy D:xy P:y D:z2 D:xy P:y D:x2-y2 S S P:z D:xy D:xz D:xy D:yz D:xy P:y D:z2 D:yz -2.893 -2.893 -3.937 -3.937 -3.937 -6.607 -0.671 3.340 -6.607 -3.937 -2.893 -2.893 1.436 3.340 -0.671 -3.937 -2.893 -2.893 3.340 -2.893 1.436 -2.893 3.340 -2.893 3.340 -3.937 -2.893 3.340 3.340 3.434 -2.893 -2.893 -0.671 3.340 -2.893 -0.671 3.340 3.434 -6.607 -0.671 -2.893 3.340 -2.893 -2.893 3.340 -0.671 3.340 3.340 0.80 0.80 1.00 1.00 1.00 1.00 0.00 0.00 1.00 1.00 0.80 0.80 0.00 0.00 0.00 1.00 0.80 0.80 0.00 0.80 0.00 0.80 0.00 0.80 0.00 1.00 0.80 0.00 0.00 0.00 0.80 0.80 0.00 0.00 0.80 0.00 0.00 0.00 1.00 0.00 0.80 0.00 0.80 0.80 0.00 0.00 0.00 0.00 62 52 60 63 58 71 65 65 72 50 57 52 60 57 59 52 58 51 65 52 52 57 61 56 50 53 60 64 65 72 50 62 51 58 51 64 55 71 70 56 56 60 58 56 59 62 59 62 Nb Nb Nb Nb Nb H Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb H H Nb Nb Nb Nb Nb Nb Nb Nb Nb 2.503 0.00 620 A 6.67 5.91 4.55 -3.83 3.75 3.59 3.12 -3.00 2.77 2.67 2.61 2.40 -2.15 2.01 -1.98 1.90 1.90 1.89 1.74 1.65 1.59 -1.55 1.55 1.43 1.39 1.36 1.35 1.34 1.25 1.25 1.24 1.20 1.18 1.15 1.15 -1.12 1.11 1.11 1.10 1.09 1.05 1.03 1.03 1.01 1.01 5 2 2 5 2 3 2 4 2 2 1 5 4 4 5 3 2 2 2 2 2 5 2 2 3 3 2 4 4 2 2 6 2 1 3 4 3 6 3 3 4 3 3 4 3 S D:xz D:xz S D:yz D:xz D:xy P:x D:yz D:yz P:y S P:z P:z S D:x2-y2 D:yz D:z2 D:xz D:z2 D:z2 S D:yz D:xy D:z2 D:x2-y2 D:xz P:y P:x D:xy D:z2 S D:xy P:x D:xz P:y D:z2 S D:xz D:xy P:z D:xz D:xy P:x D:xz -3.937 -2.893 -2.893 -3.937 -2.893 3.340 -2.893 -0.671 -2.893 -2.893 -9.150 -3.937 -0.671 -0.671 -3.937 3.340 -2.893 -2.893 -2.893 -2.893 -2.893 -3.937 -2.893 -2.893 3.340 3.340 -2.893 -0.671 -0.671 -2.893 -2.893 1.436 -2.893 -9.150 3.340 -0.671 3.340 1.436 3.340 3.340 -0.671 3.340 3.340 -0.671 3.340 1.00 0.80 0.80 1.00 0.80 0.00 0.80 0.00 0.80 0.80 1.33 1.00 0.00 0.00 1.00 0.00 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.00 0.00 0.80 0.00 0.00 0.80 0.80 0.00 0.80 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 53 58 52 58 59 59 59 53 55 12 63 53 59 55 55 59 53 61 59 55 59 61 55 60 64 59 53 55 64 54 55 56 35 64 64 50 59 63 56 54 53 51 54 61 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb 2.591 0.00 621 A 6.64 5.44 5.39 5.24 4.80 4.13 3.98 -3.90 3.83 -3.81 -3.73 3.36 -3.34 3.25 3.23 2.86 2.82 2.79 2.77 2.76 2.66 -2.65 2.62 2.48 2.41 2.39 2.37 -2.35 -2.27 2.24 2.20 2.16 2.14 -2.12 -2.06 2.03 1.94 1.85 1.80 1.71 1.62 -1.61 1.61 -1.56 1.49 1.43 1.33 1.29 1.25 1.24 -1.23 -1.21 1.21 1.19 1.18 1.16 1.15 -1.14 -1.08 1.06 1.04 1.04 1.00 -1.00 -1.00 1.00 6 5 5 1 2 3 3 5 3 4 4 5 4 3 2 2 4 3 3 3 3 5 1 2 1 3 4 3 4 5 3 3 3 5 4 3 2 5 2 1 2 4 3 4 3 4 3 3 3 2 4 4 2 1 2 4 2 4 4 2 3 3 3 4 4 3 S S S S D:xz D:yz D:yz S D:z2 P:z P:x S P:x D:xy S S P:z D:z2 D:xz D:z2 D:yz S S S S D:z2 P:z D:xz P:y S D:yz D:z2 D:yz S P:z D:yz D:xy S D:xy S S P:x D:xy P:x D:x2-y2 P:z D:z2 D:yz D:xz D:z2 P:x P:x D:xz S S P:z D:xz P:z P:z D:xz D:x2-y2 D:xz D:xy P:z P:y D:xy 1.436 -3.937 -3.937 -6.607 -2.893 3.340 3.340 -3.937 3.340 -0.671 -0.671 -3.937 -0.671 3.340 3.434 3.434 -0.671 3.340 3.340 3.340 3.340 -3.937 -6.607 3.434 -6.607 3.340 -0.671 3.340 -0.671 -3.937 3.340 3.340 3.340 -3.937 -0.671 3.340 -2.893 -3.937 -2.893 -6.607 3.434 -0.671 3.340 -0.671 3.340 -0.671 3.340 3.340 3.340 -2.893 -0.671 -0.671 -2.893 -6.607 3.434 -0.671 -2.893 -0.671 -0.671 -2.893 3.340 3.340 3.340 -0.671 -0.671 3.340 0.00 1.00 1.00 1.00 0.80 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.80 1.00 0.80 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.80 1.00 0.00 0.00 0.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 52 52 63 72 52 51 63 58 57 51 51 55 62 51 66 72 52 65 51 62 65 51 69 69 70 50 56 52 62 64 57 51 62 53 57 61 58 56 64 66 67 60 63 64 53 62 60 64 55 55 63 55 54 67 70 50 56 61 63 51 57 61 62 65 51 60 Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H H Nb Nb Nb Nb Nb Nb H H H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb 2.616 0.00 622 A 6.02 5.73 5.01 4.60 4.24 3.88 3.43 -3.30 2.49 2.38 -2.29 2.07 1.95 1.94 -1.91 -1.90 1.87 -1.82 1.78 -1.78 1.75 1.64 1.56 1.50 1.48 1.44 1.43 1.32 1.26 1.13 1.13 1.12 1.12 1.10 1.04 1.03 1.02 1.00 1.00 2 5 5 2 2 2 2 5 5 3 5 1 3 1 4 4 3 4 3 4 3 3 2 2 2 3 2 2 4 2 3 3 2 4 2 3 3 5 2 D:xz S S D:xz D:xy D:yz D:yz S S D:z2 S S D:yz P:z P:x P:y D:yz P:z D:z2 P:z D:x2-y2 D:z2 D:z2 D:xy D:z2 D:z2 D:xy D:yz P:z D:xz D:xz D:xy S P:z D:xy D:xy D:x2-y2 S D:xz -2.893 -3.937 -3.937 -2.893 -2.893 -2.893 -2.893 -3.937 -3.937 3.340 -3.937 -6.607 3.340 -9.150 -0.671 -0.671 3.340 -0.671 3.340 -0.671 3.340 3.340 -2.893 -2.893 -2.893 3.340 -2.893 -2.893 -0.671 -2.893 3.340 3.340 3.434 -0.671 -2.893 3.340 3.340 -3.937 -2.893 0.80 1.00 1.00 0.80 0.80 0.80 0.80 1.00 1.00 0.00 1.00 1.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80 0.80 0.00 0.80 0.80 0.00 0.80 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.00 0.80 54 53 52 64 64 54 55 56 64 58 55 72 62 24 56 55 57 57 56 53 64 63 55 58 56 53 54 64 55 57 57 65 67 56 55 60 55 60 58 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb O Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb 2.629 0.00 623 A 7.31 4.18 3.58 3.48 3.30 3.26 3.19 -3.10 3.05 2.89 2.73 2.45 2.42 -2.25 2.22 2.19 2.13 2.08 2.08 2.01 1.83 1.75 1.69 1.67 1.65 1.62 1.57 -1.57 1.42 1.34 1.25 1.24 1.24 1.18 1.09 1.05 1.04 3 3 2 3 3 3 2 4 3 2 3 2 2 4 3 2 5 3 3 2 2 3 5 3 2 2 4 4 1 5 3 3 3 5 3 3 2 D:yz D:yz D:xy D:z2 D:z2 D:x2-y2 D:xz P:z D:x2-y2 D:yz D:z2 D:yz D:xz P:z D:x2-y2 D:yz S D:yz D:yz S D:xz D:z2 S D:xz D:xy D:xz P:x P:y P:y S D:z2 D:yz D:yz S D:x2-y2 D:yz D:xy 3.340 3.340 -2.893 3.340 3.340 3.340 -2.893 -0.671 3.340 -2.893 3.340 -2.893 -2.893 -0.671 3.340 -2.893 -3.937 3.340 3.340 3.434 -2.893 3.340 -3.937 3.340 -2.893 -2.893 -0.671 -0.671 -9.150 -3.937 3.340 3.340 3.340 -3.937 3.340 3.340 -2.893 0.00 0.00 0.80 0.00 0.00 0.00 0.80 0.00 0.00 0.80 0.00 0.80 0.80 0.00 0.00 0.80 1.00 0.00 0.00 0.00 0.80 0.00 1.00 0.00 0.80 0.80 0.00 0.00 1.33 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.80 63 58 58 59 63 59 54 63 54 54 58 64 51 59 64 58 52 52 50 73 52 61 60 59 54 62 58 59 24 63 54 56 59 53 61 64 56 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb Nb 2.678 0.00 624 A 13.69 9.12 4.20 -3.31 3.13 2.99 2.86 2.71 2.62 2.58 -2.56 2.26 -2.23 2.15 2.08 2.02 1.96 1.83 1.69 1.64 1.64 1.50 1.39 1.33 -1.25 1.24 1.20 1.19 1.16 1.15 1.13 1.13 1.13 1.05 1.04 2 2 1 5 2 5 2 6 1 2 4 2 4 4 5 3 3 2 3 1 5 1 5 3 4 2 2 1 6 2 2 3 2 3 2 D:xz D:xz S S D:x2-y2 S D:z2 S P:x D:xz P:z D:x2-y2 P:x P:x S D:yz D:xz D:z2 D:xz P:z S P:x S D:z2 P:z D:yz D:xz S S S D:xy D:xz D:yz D:xz D:z2 -2.893 -2.893 -6.607 -3.937 -2.893 -3.937 -2.893 1.436 -9.150 -2.893 -0.671 -2.893 -0.671 -0.671 -3.937 3.340 3.340 -2.893 3.340 -9.150 -3.937 -9.150 -3.937 3.340 -0.671 -2.893 -2.893 -6.607 1.436 3.434 -2.893 3.340 -2.893 3.340 -2.893 0.80 0.80 1.00 1.00 0.80 1.00 0.80 0.00 1.33 0.80 0.00 0.80 0.00 0.00 1.00 0.00 0.00 0.80 0.00 1.33 1.00 1.33 1.00 0.00 0.00 0.80 0.80 1.00 0.00 0.00 0.80 0.00 0.80 0.00 0.80 51 62 71 53 51 55 51 53 4 52 52 62 59 51 62 52 64 62 61 49 52 49 51 62 57 55 64 67 51 67 51 59 59 53 55 Nb Nb H Nb Nb Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb O Nb Nb Nb Nb Nb H Nb H Nb Nb Nb Nb Nb 2.770 0.00 625 A 5.35 4.58 4.03 3.24 -3.16 2.86 2.51 2.30 2.18 2.17 2.16 2.15 2.01 1.99 1.96 1.93 1.85 1.84 1.81 1.78 1.77 1.76 1.75 1.71 1.67 1.63 1.56 1.56 -1.55 1.47 -1.34 1.34 -1.29 1.27 1.23 1.21 1.18 1.17 -1.14 1.12 1.07 1.06 1.04 -1.03 1.02 2 2 2 3 5 3 1 6 3 2 5 3 4 1 2 3 3 4 3 3 4 2 6 3 2 3 2 6 4 2 4 3 4 3 2 6 2 3 4 3 2 1 3 5 2 D:yz D:yz D:z2 D:z2 S D:xy S S D:z2 D:x2-y2 S D:z2 P:x S D:xy D:x2-y2 D:xy P:y D:z2 D:xy P:y S S D:xy D:xy D:yz D:xy S P:x D:z2 P:z D:z2 P:x D:yz D:xz S D:xz D:xz P:y D:xz D:xy S D:yz S D:yz -2.893 -2.893 -2.893 3.340 -3.937 3.340 -6.607 1.436 3.340 -2.893 -3.937 3.340 -0.671 -6.607 -2.893 3.340 3.340 -0.671 3.340 3.340 -0.671 3.434 1.436 3.340 -2.893 3.340 -2.893 1.436 -0.671 -2.893 -0.671 3.340 -0.671 3.340 -2.893 1.436 -2.893 3.340 -0.671 3.340 -2.893 -6.607 3.340 -3.937 -2.893 0.80 0.80 0.80 0.00 1.00 0.00 1.00 0.00 0.00 0.80 1.00 0.00 0.00 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.80 0.00 0.80 0.00 0.00 0.00 0.80 1.00 0.00 1.00 0.80 59 55 55 60 52 62 71 63 56 56 59 55 52 72 59 54 65 52 61 56 55 72 55 53 56 51 61 60 56 59 61 64 64 59 64 52 55 61 62 59 64 68 65 60 53 Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb 2.802 0.00 626 A 6.68 3.46 3.45 2.82 2.27 2.13 2.02 2.00 1.99 1.96 1.96 1.93 1.83 1.81 -1.78 1.77 1.69 1.63 1.57 1.53 -1.52 1.52 1.47 1.41 1.38 -1.38 1.36 1.33 1.31 1.30 1.27 1.26 1.21 1.20 1.19 1.18 1.17 -1.17 1.12 1.06 1.02 1.01 2 3 3 2 1 3 3 3 3 3 2 5 3 2 4 3 5 6 4 2 4 2 1 2 2 4 3 3 2 3 3 2 3 2 3 5 2 5 3 1 4 4 D:yz D:z2 D:z2 D:z2 S D:yz D:yz D:xy D:z2 D:yz D:xz S D:yz D:xz P:y D:yz S S P:y D:xz P:y D:xy S D:yz D:yz P:x D:xy D:x2-y2 D:xz D:z2 D:xz D:yz D:xy D:x2-y2 D:xy S D:xz S D:yz P:y P:y P:z -2.893 3.340 3.340 -2.893 -6.607 3.340 3.340 3.340 3.340 3.340 -2.893 -3.937 3.340 -2.893 -0.671 3.340 -3.937 1.436 -0.671 -2.893 -0.671 -2.893 -6.607 -2.893 -2.893 -0.671 3.340 3.340 -2.893 3.340 3.340 -2.893 3.340 -2.893 3.340 -3.937 -2.893 -3.937 3.340 -9.150 -0.671 -0.671 0.80 0.00 0.00 0.80 1.00 0.00 0.00 0.00 0.00 0.00 0.80 1.00 0.00 0.80 0.00 0.00 1.00 0.00 0.00 0.80 0.00 0.80 1.00 0.80 0.80 0.00 0.00 0.00 0.80 0.00 0.00 0.80 0.00 0.80 0.00 1.00 0.80 1.00 0.00 1.33 0.00 0.00 55 58 59 59 69 62 50 62 64 57 54 63 55 51 62 63 52 60 52 56 55 58 70 64 59 64 59 60 57 51 63 54 53 56 61 58 53 50 65 24 51 55 Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb 2.902 0.00 627 A 10.32 6.99 -6.96 6.74 5.95 4.16 3.75 3.11 3.09 2.86 2.71 2.70 2.38 -2.08 2.07 2.04 1.96 -1.96 -1.91 1.80 1.77 1.77 -1.71 1.70 1.69 1.66 1.66 1.61 1.60 1.59 -1.56 1.36 1.35 1.34 1.33 1.31 1.30 1.27 1.25 1.25 1.24 1.19 -1.19 -1.12 1.11 -1.06 -1.06 1.03 1.03 6 3 5 3 2 3 2 3 2 1 5 2 1 4 6 3 4 4 5 3 2 2 5 1 4 2 3 3 4 3 4 3 2 1 3 3 3 3 5 3 5 3 4 3 3 5 3 3 2 S D:xz S D:xz D:xy D:z2 D:z2 D:xy D:x2-y2 P:x S D:xy S P:x S D:xz P:y P:y S D:xz D:xy D:xz S S P:z D:xy D:z2 D:z2 P:x D:yz P:y D:yz D:xy P:x D:xy D:z2 D:xz D:xz S D:xy S D:yz P:y D:x2-y2 D:x2-y2 S D:xy D:yz D:yz 1.436 3.340 -3.937 3.340 -2.893 3.340 -2.893 3.340 -2.893 -9.150 -3.937 -2.893 -6.607 -0.671 1.436 3.340 -0.671 -0.671 -3.937 3.340 -2.893 -2.893 -3.937 -6.607 -0.671 -2.893 3.340 3.340 -0.671 3.340 -0.671 3.340 -2.893 -9.150 3.340 3.340 3.340 3.340 -3.937 3.340 -3.937 3.340 -0.671 3.340 3.340 -3.937 3.340 3.340 -2.893 0.00 0.00 1.00 0.00 0.80 0.00 0.80 0.00 0.80 1.33 1.00 0.80 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.80 0.80 1.00 1.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.33 0.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.80 63 54 63 52 58 53 58 52 63 31 52 64 71 54 54 60 58 54 53 58 63 63 51 73 56 53 50 58 61 51 62 59 54 35 50 63 59 56 54 62 50 63 59 63 54 64 53 65 53 Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb 2.937 0.00 628 A 6.46 5.89 5.43 5.16 4.61 4.15 3.61 3.50 3.41 -2.94 -2.86 2.73 -2.60 2.56 2.48 2.41 2.37 2.36 2.30 -2.29 -2.18 1.75 1.70 1.70 1.66 -1.61 1.60 -1.57 1.52 1.46 1.45 1.39 1.39 1.34 1.31 1.31 -1.25 1.23 1.22 1.19 1.12 1.09 1.09 1.06 -1.00 3 2 1 1 2 3 6 2 2 5 2 3 5 3 2 2 2 4 1 5 5 3 2 3 2 4 5 4 2 4 1 2 1 3 6 3 4 1 3 3 4 1 1 3 2 D:yz D:xy S S D:z2 D:z2 S D:x2-y2 D:x2-y2 S P:z D:xy S D:xy S D:xy D:xy P:x P:y S S D:z2 D:x2-y2 D:yz D:xy P:z S P:y D:z2 P:y P:x S P:y D:yz S D:xz P:x P:y D:x2-y2 D:x2-y2 P:y S P:x D:x2-y2 P:y 3.340 -2.893 -6.607 -6.607 -2.893 3.340 1.436 -2.893 -2.893 -3.937 11.126 3.340 -3.937 3.340 3.434 -2.893 -2.893 -0.671 -9.150 -3.937 -3.937 3.340 -2.893 3.340 -2.893 -0.671 -3.937 -0.671 -2.893 -0.671 -9.150 3.434 -9.150 3.340 1.436 3.340 -0.671 -9.150 3.340 3.340 -0.671 -6.607 -9.150 3.340 11.126 0.00 0.80 1.00 1.00 0.80 0.00 0.00 0.80 0.80 1.00 0.00 0.00 1.00 0.00 0.00 0.80 0.80 0.00 1.33 1.00 1.00 0.00 0.80 0.00 0.80 0.00 1.00 0.00 0.80 0.00 1.33 0.00 1.33 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 1.00 1.33 0.00 0.00 56 60 70 71 56 60 56 57 56 52 27 53 56 56 70 51 57 52 49 60 50 56 60 60 56 56 57 51 57 57 41 71 41 51 60 52 56 9 65 50 56 66 23 63 49 Nb Nb H H Nb Nb Nb Nb Nb Nb O Nb Nb Nb H Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O H O Nb Nb Nb Nb O Nb Nb Nb H O Nb O 3.025 0.00 629 A -6.16 5.93 5.12 -4.91 3.94 3.47 3.15 3.07 2.57 2.56 2.46 2.36 2.26 2.25 2.23 2.19 2.18 2.13 2.11 2.08 2.07 2.02 -1.99 -1.99 1.99 1.77 1.72 1.70 1.60 1.58 -1.56 1.50 1.49 1.43 -1.41 1.40 -1.39 1.37 1.32 1.31 -1.29 -1.25 1.23 1.20 1.17 1.15 1.14 1.06 1.04 1.00 5 3 3 4 4 2 3 3 3 3 5 2 1 3 2 2 3 1 3 2 3 5 5 4 3 2 2 6 6 3 5 2 2 2 4 2 4 1 2 3 4 4 3 4 4 3 3 2 3 5 S D:yz D:yz P:z P:y D:xz D:z2 D:x2-y2 D:xy D:x2-y2 S S S D:z2 D:xy D:xz D:xz S D:z2 D:xy D:yz S S P:y D:xy S S S S D:x2-y2 S D:x2-y2 D:z2 D:x2-y2 P:x D:z2 P:z S D:xy D:x2-y2 P:y P:y D:z2 P:x P:z D:z2 D:z2 D:xy D:z2 S -3.937 3.340 3.340 -0.671 -0.671 -2.893 3.340 3.340 3.340 3.340 -3.937 3.434 -6.607 3.340 -2.893 -2.893 3.340 -6.607 3.340 -2.893 3.340 -3.937 -3.937 -0.671 3.340 3.434 3.434 1.436 1.436 3.340 -3.937 -2.893 -2.893 -2.893 -0.671 -2.893 -0.671 -6.607 -2.893 3.340 -0.671 -0.671 3.340 -0.671 -0.671 3.340 3.340 -2.893 3.340 -3.937 1.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 0.80 0.80 0.00 1.00 0.00 0.80 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.80 0.80 0.80 0.00 0.80 0.00 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 1.00 50 63 58 63 52 58 55 55 53 63 52 68 70 62 60 65 50 68 63 56 61 60 63 55 59 70 73 63 50 53 51 65 63 56 62 64 58 73 55 65 63 64 65 50 65 64 56 65 61 58 Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H H Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb H H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb 3.063 0.00 630 A -8.15 7.02 4.81 4.54 4.34 3.68 3.56 3.17 2.96 2.79 2.70 2.67 2.56 2.49 2.42 -2.03 2.01 -1.91 1.85 1.78 1.75 1.71 1.68 1.67 1.58 -1.58 1.57 -1.47 1.41 1.40 -1.31 1.27 1.23 1.18 1.18 1.16 1.15 1.14 1.14 1.13 1.09 1.09 -1.08 1.00 5 2 2 5 5 3 3 1 5 3 3 5 5 6 4 5 3 4 3 2 2 1 3 6 3 4 3 4 3 5 5 3 2 3 2 1 1 3 4 2 2 3 5 4 S D:xz D:xz S S D:xy D:xz S S D:x2-y2 D:xy S S S P:z S D:xy P:x D:z2 D:xz D:yz P:z D:yz S D:x2-y2 P:x D:xy P:y D:x2-y2 S S D:xz D:yz D:yz D:xz P:x S D:x2-y2 P:x D:z2 D:yz D:yz S P:x -3.937 -2.893 -2.893 -3.937 -3.937 3.340 3.340 -6.607 -3.937 3.340 3.340 -3.937 -3.937 1.436 -0.671 -3.937 3.340 -0.671 3.340 -2.893 -2.893 -9.150 3.340 1.436 3.340 -0.671 3.340 -0.671 3.340 -3.937 -3.937 3.340 -2.893 3.340 -2.893 -9.150 -6.607 3.340 -0.671 -2.893 -2.893 3.340 -3.937 -0.671 1.00 0.80 0.80 1.00 1.00 0.00 0.00 1.00 1.00 0.00 0.00 1.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 0.80 0.80 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.80 0.00 0.80 1.33 1.00 0.00 0.00 0.80 0.80 0.00 1.00 0.00 50 62 65 63 52 65 53 71 57 64 52 62 51 50 50 58 62 57 55 57 61 19 55 51 50 55 57 55 56 53 55 54 65 61 56 25 68 57 65 58 62 54 56 50 Nb Nb Nb Nb Nb Nb Nb H Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb O H Nb Nb Nb Nb Nb Nb Nb Jun24-2023 01:42:03 Nodes: 1 Procs: 1 Jun24-2023 01:42:03 Nodes: 1 Procs: 1 0 Jun24-2023 01:42:04 Nodes: 1 Procs: 1 Jun24-2023 01:42:04 Nodes: 1 Procs: 1 Niobium (TZP, all electron) 0 Jun24-2023 01:42:06 Nodes: 1 Procs: 1 Jun24-2023 01:42:06 Nodes: 1 Procs: 1 Oxygen (TZP) 0 Jun24-2023 01:42:07 Nodes: 1 Procs: 28 *** (NO TITLE) *** -10