# ZnOH2 example 105 atoms 3 atom types 0 25.000 xlo xhi 0 25.000 ylo yhi 0 25.000 zlo zhi Masses 1 1.0080 2 15.9990 3 65.3900 Atoms 1 3 0.0 12.11798 12.78280 12.46474 2 2 0.0 12.30416 12.56916 14.37979 3 2 0.0 12.12265 12.63171 10.53701 4 1 0.0 12.91874 13.12536 14.81289 5 1 0.0 12.65934 11.96727 10.15577 6 3 0.0 1.58040 24.31298 0.61068 7 2 0.0 2.91627 24.72949 1.95019 8 2 0.0 0.48945 23.71942 24.12667 9 1 0.0 3.61429 0.29759 1.69671 10 1 0.0 0.67172 22.87315 23.77336 11 3 0.0 1.38189 13.21679 18.93974 12 2 0.0 24.75026 14.03116 19.59558 13 2 0.0 2.72553 11.96082 18.36057 14 1 0.0 24.80232 14.58872 20.34549 15 1 0.0 2.72772 11.12684 18.78223 16 3 0.0 10.28220 7.25838 22.67157 17 2 0.0 9.71575 6.56657 20.82008 18 2 0.0 9.54424 8.41704 24.03481 19 1 0.0 9.49644 7.16185 20.12191 20 1 0.0 8.69705 8.28870 24.40622 21 3 0.0 8.77480 12.96987 22.47649 22 2 0.0 8.66515 12.00764 20.79751 23 2 0.0 9.22897 14.11643 23.96904 24 1 0.0 9.35719 12.11042 20.17651 25 1 0.0 8.94019 15.00536 23.93842 26 3 0.0 14.01728 9.20480 11.81342 27 2 0.0 15.54778 10.36845 11.59125 28 2 0.0 12.30605 8.39415 12.20116 29 1 0.0 16.34372 10.11892 12.01518 30 1 0.0 11.75428 8.82781 12.82011 31 3 0.0 3.31959 14.28210 24.72110 32 2 0.0 2.70076 15.80638 23.69735 33 2 0.0 3.57881 12.68952 0.78967 34 1 0.0 2.87681 16.65260 24.05533 35 1 0.0 2.95652 12.53609 1.47088 36 3 0.0 18.02652 4.79906 8.51043 37 2 0.0 18.94853 6.50297 8.53165 38 2 0.0 17.36977 2.99183 8.29669 39 1 0.0 19.03997 6.96466 7.72300 40 1 0.0 17.99667 2.29846 8.31262 41 3 0.0 6.52020 20.57673 24.60168 42 2 0.0 8.21127 19.64145 24.44360 43 2 0.0 4.74514 21.32679 24.40734 44 1 0.0 8.80366 19.92974 23.77942 45 1 0.0 4.09966 20.76648 24.02713 46 3 0.0 21.56715 11.68831 19.78805 47 2 0.0 21.06032 10.04683 18.89933 48 2 0.0 21.59033 13.26327 20.91213 49 1 0.0 20.14609 9.92081 18.74583 50 1 0.0 22.11031 13.23728 21.68877 51 3 0.0 3.46476 10.81470 5.54977 52 2 0.0 1.81531 11.35666 4.68960 53 2 0.0 5.26606 10.43021 6.14328 54 1 0.0 1.58282 10.91371 3.89945 55 1 0.0 5.91838 11.07051 5.94665 56 3 0.0 11.47463 5.52361 20.53283 57 2 0.0 12.03967 6.22280 22.37265 58 2 0.0 11.86155 4.50111 18.90066 59 1 0.0 12.85331 6.71281 22.45500 60 1 0.0 12.46688 3.79830 18.92313 61 3 0.0 13.84325 9.73776 20.81219 62 2 0.0 14.64076 10.58418 22.35938 63 2 0.0 13.28566 9.07063 19.08653 64 1 0.0 14.24006 11.36576 22.68132 65 1 0.0 13.82499 9.29075 18.35388 66 3 0.0 3.56971 19.75123 16.14741 67 2 0.0 2.61000 18.27004 16.94796 68 2 0.0 4.24529 21.22096 15.08479 69 1 0.0 2.45624 17.51671 16.41547 70 1 0.0 3.64162 21.89789 14.85702 71 3 0.0 12.89964 21.66576 13.71630 72 2 0.0 13.40113 22.26753 15.48824 73 2 0.0 12.08396 20.91476 12.13021 74 1 0.0 13.39875 21.63410 16.17637 75 1 0.0 11.19771 21.15305 11.95014 76 3 0.0 24.61573 7.23215 13.93967 77 2 0.0 22.71382 6.90606 14.01512 78 2 0.0 1.48982 7.78336 13.53204 79 1 0.0 22.29828 6.44977 13.31505 80 1 0.0 1.65344 8.71176 13.33278 81 3 0.0 17.88434 8.12367 3.54514 82 2 0.0 19.27721 9.14063 4.42293 83 2 0.0 16.79998 6.83289 2.59685 84 1 0.0 19.51530 9.96222 4.04489 85 1 0.0 17.23105 6.25138 2.00467 86 3 0.0 9.87871 1.60680 24.83330 87 2 0.0 9.85901 1.39615 22.90756 88 2 0.0 9.46800 1.80406 1.71444 89 1 0.0 9.43925 2.06388 22.40490 90 1 0.0 8.80208 1.25329 2.07177 91 3 0.0 0.78894 6.68436 23.75692 92 2 0.0 1.91858 5.41167 24.68689 93 2 0.0 24.59213 7.68039 22.60451 94 1 0.0 2.54601 4.94359 24.17511 95 1 0.0 23.78283 7.26758 22.38117 96 3 0.0 3.18381 6.68568 13.82109 97 2 0.0 2.57422 5.10796 14.84012 98 2 0.0 4.95907 7.17379 13.16284 99 1 0.0 2.10641 5.31182 15.62965 100 1 0.0 5.47671 6.53998 12.70878 101 3 0.0 8.53378 12.86625 3.93332 102 2 0.0 10.16990 12.00286 4.50825 103 2 0.0 6.71801 13.53392 3.83669 104 1 0.0 10.20734 11.07072 4.44278 105 1 0.0 6.37259 13.93509 4.60760