# LAMMPS data file written by OVITO Basic 3.9.1 936 atoms 6 atom types 1 bond types 1 angle types 2 extra bond per atom 1 extra angle per atom 2 extra special per atom 0.0 37.072 xlo xhi 0.0 32.1052937691 ylo yhi 0.0 30.0333 zlo zhi -18.536 0.0 0.0 xy xz yz Masses 1 65.409 # Zn 2 1.00794 # H 3 12.0107 # C 4 15.9994 # O 5 12.0107 #C-CO2 6 15.994 #O-CO2 #7 15.9994 #O-H2O #8 1.00794 #H-H2O Pair Coeffs 1 0.121 2.46 2 0.042 2.57 3 0.091 3.43 4 0.056 3.12 5 0.053649 2.8 6 0.156973 3.05 #7 0.15535 3.166 #8 0.000 0.000 Atoms # full 1 1 1 1.0501 17.8427536 9.0280086079 6.67039593 2 1 1 0.4869 0.296576 9.5031669557 5.95560339 3 1 1 0.5761 1.5366344 11.7601691076 7.81466466 4 1 1 0.5334 0.7710976 11.9110639883 6.17184315 5 1 1 0.494 -1.4198576 9.6893776595 6.70042923 6 1 1 1.0501 20.3321384 10.9382735871 6.67039593 7 1 1 0.4869 10.157728 27.6105526414 5.95560339 8 1 1 0.5761 7.5830776 27.555973642 7.81466466 9 1 1 0.5334 7.8351672 26.8175518853 6.17184315 10 1 1 0.494 10.8546816 26.030972188 6.70042923 11 1 1 1.0501 17.433108 12.1390115741 6.67039593 12 1 1 0.4869 -10.454304 27.0968679411 5.95560339 13 1 1 0.5761 -9.119712 24.8944447886 7.81466466 14 1 1 0.5334 -8.6062648 25.4819716645 6.17184315 15 1 1 0.494 -9.434824 28.4902376907 6.70042923 16 1 1 1.0501 19.638892 12.1390115741 8.34625407 17 1 1 0.4869 10.454304 27.0968679411 9.06104661 18 1 1 0.5761 9.119712 24.8944447886 7.20198534 19 1 1 0.5334 8.6062648 25.4819716645 8.84480685 20 1 1 0.494 9.434824 28.4902376907 8.31622077 21 1 1 1.0501 19.2292464 9.0280086079 8.34625407 22 1 1 0.4869 -0.296576 9.5031669557 9.06104661 23 1 1 0.5761 -1.5366344 11.7601691076 7.20198534 24 1 1 0.5334 -0.7710976 11.9110639883 8.84480685 25 1 1 0.494 1.4198576 9.6893776595 8.31622077 26 1 1 1.0501 16.7398616 10.9382735871 8.34625407 27 1 1 0.4869 -10.157728 27.6105526414 9.06104661 28 1 1 0.5761 -7.5830776 27.555973642 7.20198534 29 1 1 0.5334 -7.8351672 26.8175518853 8.84480685 30 1 1 0.494 -10.8546816 26.030972188 8.31622077 31 1 1 1.0501 0.6932464 23.0772851612 23.36290407 32 1 1 0.4869 18.239424 22.6021268134 24.07769661 33 1 1 0.5761 16.9993656 20.3451246615 22.21863534 34 1 1 0.5334 17.7649024 20.1942297808 23.86145685 35 1 1 0.494 19.9558576 22.4159161096 23.33287077 36 1 1 1.0501 -1.7961384 21.167020182 23.36290407 37 1 1 0.4869 8.378272 4.4947411277 24.07769661 38 1 1 0.5761 10.9529224 4.5493201271 22.21863534 39 1 1 0.5334 10.7008328 5.2877418838 23.86145685 40 1 1 0.494 7.6813184 6.0743215811 23.33287077 41 1 1 1.0501 1.102892 19.966282195 23.36290407 42 1 1 0.4869 28.990304 5.008425828 24.07769661 43 1 1 0.5761 27.655712 7.2108489805 22.21863534 44 1 1 0.5334 27.1422648 6.6233221046 23.86145685 45 1 1 0.494 27.970824 3.6150560784 23.33287077 46 1 1 1.0501 -1.102892 19.966282195 21.68704593 47 1 1 0.4869 8.081696 5.008425828 20.97225339 48 1 1 0.5761 9.416288 7.2108489805 22.83131466 49 1 1 0.5334 9.9297352 6.6233221046 21.18849315 50 1 1 0.494 9.101176 3.6150560784 21.71707923 51 1 1 1.0501 -0.6932464 23.0772851612 21.68704593 52 1 1 0.4869 18.832576 22.6021268134 20.97225339 53 1 1 0.5761 20.0726344 20.3451246615 22.83131466 54 1 1 0.5334 19.3070976 20.1942297808 21.18849315 55 1 1 0.494 17.1161424 22.4159161096 21.71707923 56 1 1 1.0501 1.7961384 21.167020182 21.68704593 57 1 1 0.4869 28.693728 4.4947411277 20.97225339 58 1 1 0.5761 26.1190776 4.5493201271 22.83131466 59 1 1 0.5334 26.3711672 5.2877418838 21.18849315 60 1 1 0.494 29.3906816 6.0743215811 21.71707923 61 1 1 1.0444 18.536018536 10.7017538879 9.29830968 62 1 1 1.0444 18.536018536 10.7017538879 5.71834032 63 1 1 1.0444 -1.85E-05 21.4035398812 20.73499032 64 1 1 1.0444 -1.85E-05 21.4035398812 24.31495968 65 1 2 0.1304 11.1901832 9.1275350186 1.11423543 66 1 2 0.1008 9.3847768 10.264062418 4.48697502 67 1 2 0.1067 7.2494296 8.9541664322 1.40255511 68 1 2 0.1179 12.8676912 8.5849555539 2.54081718 69 1 2 0.1388 14.8399216 9.0344296666 3.52891275 70 1 2 0.1506 13.2606544 11.6606426969 5.75438028 71 1 2 0.0567 11.2865704 11.2721686423 4.74225807 72 1 2 0.1413 7.405132 11.2785897011 4.96150116 73 1 2 0.1651 5.4384624 11.5900110506 6.09375657 74 1 2 0.0997 3.75354 9.1532192536 3.8142291 75 1 2 0.083 5.6886984 8.8129031396 2.67897036 76 1 2 0.1382 7.6701968 7.2108489805 29.90115348 77 1 2 0.1676 7.5867848 6.456374577 27.6606693 78 1 2 0.1688 10.3783064 8.8963769034 26.70561036 79 1 2 0.1542 10.7267832 9.3715352512 28.84097799 80 1 2 0.1469 1.8498928 18.2422279196 6.76950582 81 1 2 0.1673 1.8146744 15.9916468264 6.77250915 82 1 2 0.1304 23.5722312 5.1272154149 1.11423543 83 1 2 0.1008 23.4906728 2.9954239087 4.48697502 84 1 2 0.1067 25.6927496 1.8011069804 1.40255511 85 1 2 0.1179 23.2033648 6.8512696903 2.54081718 86 1 2 0.1388 21.8279936 8.3345342625 3.52891275 87 1 2 0.1506 20.34326 5.6537422327 5.75438028 88 1 2 0.0567 21.6667304 4.1383723668 4.74225807 89 1 2 0.1413 23.6018888 0.7737375798 4.96150116 90 1 2 0.1651 5.7795248 31.0201348397 6.09375657 91 1 2 0.0997 8.7323096 30.7793451364 3.8142291 92 1 2 0.083 26.5954528 0.5201057591 2.67897036 93 1 2 0.1382 26.9921232 3.0371607906 29.90115348 94 1 2 0.1676 27.6872232 3.3421610814 27.6606693 95 1 2 0.1688 24.1783584 4.539688539 26.70561036 96 1 2 0.1542 23.5926208 4.6038991265 28.84097799 97 1 2 0.1469 1.8128208 24.5862339684 6.76950582 98 1 2 0.1673 3.7794904 25.6810244859 6.77250915 99 1 2 0.1304 20.8455856 17.8505433356 1.11423543 100 1 2 0.1008 22.7325504 18.8458074425 4.48697502 101 1 2 0.1067 22.6658208 21.3500203564 1.40255511 102 1 2 0.1179 19.536944 16.6690685249 2.54081718 103 1 2 0.1388 18.9400848 14.73632984 3.52891275 104 1 2 0.1506 22.0040856 14.7909088394 5.75438028 105 1 2 0.0567 22.6546992 16.6947527599 4.74225807 106 1 2 0.1413 24.6009792 20.0529664882 4.96150116 107 1 2 0.1651 -11.2179872 21.6004416478 6.09375657 108 1 2 0.0997 -12.4858496 24.2780231482 3.8142291 109 1 2 0.083 23.3238488 22.7722848704 2.67897036 110 1 2 0.1382 20.94568 21.857283998 29.90115348 111 1 2 0.1676 20.333992 22.3067581108 27.6606693 112 1 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