forked from lijiext/lammps
120 lines
5.7 KiB
Plaintext
120 lines
5.7 KiB
Plaintext
Created by AJB
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102 atoms
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3 atom types
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-500.0 500.0 xlo xhi
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-500.0 500.0 ylo yhi
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-500.0 500.0 zlo zhi
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Masses
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1 12.01070 # C nuclei
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2 1.000794 # H nuclei
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3 1.000000 # electron
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Atoms
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1 1 6.00 0 0.000000 0.223271 2.836177 0.99547
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2 1 6.00 0 0.000000 -0.611326 1.278041 3.303884
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3 1 6.00 0 0.000000 -0.645795 -1.544681 2.608294
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4 1 6.00 0 0.000000 -2.509122 -1.980433 0.419368
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5 1 6.00 0 0.000000 -1.674732 -0.422977 -1.889518
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6 1 6.00 0 0.000000 -1.640226 2.39965 -1.193097
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7 1 6.00 0 0.000000 2.018681 -2.373515 1.79163
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8 1 6.00 0 0.000000 2.887596 2.006776 0.178976
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9 1 6.00 0 0.000000 0.98999 -1.251962 -2.705445
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10 1 6.00 0 0.000000 2.853997 -0.815965 -0.517029
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11 2 1.00 0 0.000000 -3.029741 -0.739677 -3.479893
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12 2 1.00 0 0.000000 -4.456466 -1.425024 1.003463
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13 2 1.00 0 0.000000 -2.581253 -4.027951 -0.074795
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14 2 1.00 0 0.000000 -1.252983 -2.67657 4.28622
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15 2 1.00 0 0.000000 -2.524731 1.891635 3.93955
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16 2 1.00 0 0.000000 0.703394 1.61118 4.917143
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17 2 1.00 0 0.000000 0.247516 4.887701 1.501501
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18 2 1.00 0 0.000000 2.027034 -4.428006 1.321731
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19 2 1.00 0 0.000000 3.379737 -2.105382 3.378244
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20 2 1.00 0 0.000000 4.790758 -1.418428 -1.109855
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21 2 1.00 0 0.000000 -1.077541 3.552194 -2.865467
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22 2 1.00 0 0.000000 -3.572149 3.033181 -0.63782
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23 2 1.00 0 0.000000 1.599389 -0.164293 -4.40463
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24 2 1.00 0 0.000000 0.980069 -3.286423 -3.255167
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25 2 1.00 0 0.000000 4.264224 2.353276 1.736734
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26 2 1.00 0 0.000000 3.530575 3.152347 -1.469016
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27 3 0.00 1 0.332948 0.223271 2.836177 0.99547
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28 3 0.00 -1 0.332948 0.223271 2.836177 0.99547
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29 3 0.00 1 0.332948 -0.611326 1.278041 3.303884
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30 3 0.00 -1 0.332948 -0.611326 1.278041 3.303884
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31 3 0.00 1 0.332948 -0.645795 -1.544681 2.608294
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32 3 0.00 -1 0.332948 -0.645795 -1.544681 2.608294
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33 3 0.00 1 0.332948 -2.509122 -1.980433 0.419368
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34 3 0.00 -1 0.332948 -2.509122 -1.980433 0.419368
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35 3 0.00 1 0.332948 -1.674732 -0.422977 -1.889518
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36 3 0.00 -1 0.332948 -1.674732 -0.422977 -1.889518
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37 3 0.00 1 0.332948 -1.640226 2.39965 -1.193097
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38 3 0.00 -1 0.332948 -1.640226 2.39965 -1.193097
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39 3 0.00 1 0.332948 2.018681 -2.373515 1.79163
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40 3 0.00 -1 0.332948 2.018681 -2.373515 1.79163
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41 3 0.00 1 0.332948 2.887596 2.006776 0.178976
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42 3 0.00 -1 0.332948 2.887596 2.006776 0.178976
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43 3 0.00 1 0.332948 0.98999 -1.251962 -2.705445
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44 3 0.00 -1 0.332948 0.98999 -1.251962 -2.705445
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45 3 0.00 1 0.332948 2.853997 -0.815965 -0.517029
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46 3 0.00 -1 0.332948 2.853997 -0.815965 -0.517029
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47 3 0.00 1 1.258000 -0.194028 2.057109 2.149677
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48 3 0.00 -1 1.258000 -0.194028 2.057109 2.149677
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49 3 0.00 1 1.258000 -0.628561 -0.13332 2.956089
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50 3 0.00 -1 1.258000 -0.628561 -0.13332 2.956089
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51 3 0.00 1 1.258000 -1.577458 -1.762557 1.513831
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52 3 0.00 -1 1.258000 -1.577458 -1.762557 1.513831
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53 3 0.00 1 1.258000 -2.091927 -1.201705 -0.735075
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54 3 0.00 -1 1.258000 -2.091927 -1.201705 -0.735075
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55 3 0.00 1 1.258000 -0.708477 2.617913 -0.098814
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56 3 0.00 -1 1.258000 -0.708477 2.617913 -0.098814
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57 3 0.00 1 1.258000 -1.657479 0.988336 -1.541308
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58 3 0.00 -1 1.258000 -1.657479 0.988336 -1.541308
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59 3 0.00 1 1.258000 0.686443 -1.959098 2.199962
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60 3 0.00 -1 1.258000 0.686443 -1.959098 2.199962
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61 3 0.00 1 1.258000 1.555434 2.421476 0.587223
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62 3 0.00 -1 1.258000 1.555434 2.421476 0.587223
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63 3 0.00 1 1.258000 -0.342371 -0.83747 -2.297482
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64 3 0.00 -1 1.258000 -0.342371 -0.83747 -2.297482
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65 3 0.00 1 1.258000 2.436339 -1.59474 0.637301
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66 3 0.00 -1 1.258000 2.436339 -1.59474 0.637301
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67 3 0.00 1 1.258000 2.870796 0.595405 -0.169027
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68 3 0.00 -1 1.258000 2.870796 0.595405 -0.169027
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69 3 0.00 1 1.258000 1.921993 -1.033964 -1.611237
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70 3 0.00 -1 1.258000 1.921993 -1.033964 -1.611237
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71 3 0.00 1 1.543000 -2.632724 -0.646884 -3.013913
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72 3 0.00 -1 1.543000 -2.632724 -0.646884 -3.013913
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73 3 0.00 1 1.543000 -3.885894 -1.587759 0.832324
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74 3 0.00 -1 1.543000 -3.885894 -1.587759 0.832324
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75 3 0.00 1 1.543000 -2.560118 -3.428028 0.069995
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76 3 0.00 -1 1.543000 -2.560118 -3.428028 0.069995
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77 3 0.00 1 1.543000 -1.075077 -2.344927 3.794588
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78 3 0.00 -1 1.543000 -1.075077 -2.344927 3.794588
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79 3 0.00 1 1.543000 -1.964103 1.711852 3.7533
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80 3 0.00 -1 1.543000 -1.964103 1.711852 3.7533
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81 3 0.00 1 1.543000 0.318181 1.513571 4.444458
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82 3 0.00 -1 1.543000 0.318181 1.513571 4.444458
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83 3 0.00 1 1.543000 0.240412 4.286604 1.353234
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84 3 0.00 -1 1.543000 0.240412 4.286604 1.353234
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85 3 0.00 1 1.543000 2.024586 -3.82604 1.459412
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86 3 0.00 -1 1.543000 2.024586 -3.82604 1.459412
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87 3 0.00 1 1.543000 2.980948 -2.183945 2.913367
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88 3 0.00 -1 1.543000 2.980948 -2.183945 2.913367
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89 3 0.00 1 1.543000 4.223287 -1.241907 -0.936157
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90 3 0.00 -1 1.543000 4.223287 -1.241907 -0.936157
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91 3 0.00 1 1.543000 -1.242407 3.214498 -2.375463
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92 3 0.00 -1 1.543000 -1.242407 3.214498 -2.375463
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93 3 0.00 1 1.543000 -3.006096 2.847556 -0.800517
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94 3 0.00 -1 1.543000 -3.006096 2.847556 -0.800517
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95 3 0.00 1 1.543000 1.420835 -0.48298 -3.906769
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96 3 0.00 -1 1.543000 1.420835 -0.48298 -3.906769
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97 3 0.00 1 1.543000 0.982976 -2.690326 -3.094098
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98 3 0.00 -1 1.543000 0.982976 -2.690326 -3.094098
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99 3 0.00 1 1.543000 3.860872 2.251751 1.280311
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100 3 0.00 -1 1.543000 3.860872 2.251751 1.280311
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101 3 0.00 1 1.543000 3.342182 2.816694 -0.986155
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102 3 0.00 -1 1.543000 3.342182 2.816694 -0.986155
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