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LAMMPS data file via write_data, version 24 Oct 2015-ICMS, timestep = 16
604 atoms
1 atom types
906 bonds
1 bond types
1812 angles
1 angle types
3624 dihedrals
1 dihedral types
604 impropers
1 improper types
-3.2533135409999998e+00 9.7599864590000003e+00 xlo xhi
1.9848000000000000e-05 1.1269868235000001e+01 ylo yhi
2.1981185000000000e-02 5.2620381184999999e+01 zlo zhi
-6.5066499999999996e+00 0.0000000000000000e+00 0.0000000000000000e+00 xy xz yz
Masses
1 12.0112
Pair Coeffs # lj/class2/coul/cut
1 0.068 3.915
Bond Coeffs # class2
1 1.417 470.836 -627.618 1327.63
Angle Coeffs # class2
1 118.9 61.0226 -34.9931 0
BondBond Coeffs
1 68.2856 1.417 1.417
BondAngle Coeffs
1 28.8708 28.8708 1.417 1.417
Dihedral Coeffs # class2
1 8.3667 0 1.2 0 0 0
AngleAngleTorsion Coeffs
1 0 118.9 118.9
EndBondTorsion Coeffs
1 -0.1185 6.3204 0 -0.1185 6.3204 0 1.417 1.417
MiddleBondTorsion Coeffs
1 27.5989 -2.312 0 1.417
BondBond13 Coeffs
1 0 1.417 1.417
AngleTorsion Coeffs
1 1.9767 1.0239 0 1.9767 1.0239 0 118.9 118.9
Improper Coeffs # class2
1 7.1794 0
AngleAngle Coeffs
1 0 0 0 118.9 118.9 118.9
Atoms # full
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Bonds
1 1 1 2
2 1 1 210
3 1 1 370
4 1 2 4
5 1 2 6
6 1 3 4
7 1 3 12
8 1 3 263
9 1 4 5
10 1 5 14
11 1 5 16
12 1 6 7
13 1 6 372
14 1 7 8
15 1 7 16
16 1 8 9
17 1 8 423
18 1 9 18
19 1 9 20
20 1 10 20
21 1 10 424
22 1 10 468
23 1 11 22
24 1 11 468
25 1 11 469
26 1 12 13
27 1 12 315
28 1 13 14
29 1 13 28
30 1 14 15
31 1 15 30
32 1 15 32
33 1 16 17
34 1 17 18
35 1 17 32
36 1 18 19
37 1 19 34
38 1 19 36
39 1 20 21
40 1 21 22
41 1 21 36
42 1 22 23
43 1 23 38
44 1 23 40
45 1 24 25
46 1 24 40
47 1 24 469
48 1 25 26
49 1 25 471
50 1 26 42
51 1 26 44
52 1 27 50
53 1 27 52
54 1 27 421
55 1 28 29
56 1 28 368
57 1 29 30
58 1 29 52
59 1 30 31
60 1 31 54
61 1 31 56
62 1 32 33
63 1 33 34
64 1 33 56
65 1 34 35
66 1 35 58
67 1 35 60
68 1 36 37
69 1 37 38
70 1 37 60
71 1 38 39
72 1 39 62
73 1 39 64
74 1 40 41
75 1 41 42
76 1 41 64
77 1 42 43
78 1 43 66
79 1 43 68
80 1 44 45
81 1 44 473
82 1 45 46
83 1 45 68
84 1 46 47
85 1 46 510
86 1 47 70
87 1 47 72
88 1 48 72
89 1 48 511
90 1 48 542
91 1 49 74
92 1 49 76
93 1 49 542
94 1 50 51
95 1 50 420
96 1 51 81
97 1 51 83
98 1 52 53
99 1 53 54
100 1 53 83
101 1 54 55
102 1 55 85
103 1 55 87
104 1 56 57
105 1 57 58
106 1 57 87
107 1 58 59
108 1 59 89
109 1 59 91
110 1 60 61
111 1 61 62
112 1 61 91
113 1 62 63
114 1 63 93
115 1 63 95
116 1 64 65
117 1 65 66
118 1 65 95
119 1 66 67
120 1 67 97
121 1 67 99
122 1 68 69
123 1 69 70
124 1 69 99
125 1 70 71
126 1 71 101
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128 1 72 73
129 1 73 74
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131 1 74 75
132 1 75 105
133 1 75 107
134 1 76 77
135 1 76 515
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137 1 77 107
138 1 78 79
139 1 78 544
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142 1 80 81
143 1 80 467
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148 1 83 84
149 1 84 85
150 1 84 120
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152 1 86 122
153 1 86 124
154 1 87 88
155 1 88 89
156 1 88 124
157 1 89 90
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202 1 116 156
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214 1 123 167
215 1 123 169
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221 1 127 173
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223 1 129 130
224 1 129 173
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227 1 131 177
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253 1 149 150
254 1 149 193
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256 1 151 195
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260 1 153 197
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263 1 155 201
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280 1 164 215
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284 1 166 217
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286 1 168 219
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298 1 176 227
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311 1 184 237
312 1 185 186
313 1 186 187
314 1 186 237
315 1 187 188
316 1 188 239
317 1 188 241
318 1 189 190
319 1 190 191
320 1 190 241
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322 1 192 243
323 1 192 245
324 1 193 194
325 1 194 195
326 1 194 245
327 1 195 196
328 1 196 247
329 1 196 249
330 1 197 198
331 1 198 199
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333 1 199 200
334 1 200 251
335 1 200 253
336 1 201 202
337 1 202 203
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340 1 204 255
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347 1 207 600
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411 1 248 300
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413 1 249 250
414 1 250 251
415 1 250 302
416 1 251 252
417 1 252 304
418 1 252 306
419 1 253 254
420 1 254 255
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422 1 255 256
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427 1 258 310
428 1 259 260
429 1 260 312
430 1 260 314
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439 1 267 268
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473 1 289 343
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896 1 593 599
897 1 594 595
898 1 595 601
899 1 595 602
900 1 596 597
901 1 597 598
902 1 597 602
903 1 599 600
904 1 600 601
905 1 602 603
906 1 603 604
Angles
1 1 2 1 210
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