LAMMPS Description
216 atoms
4 atom types
# Cell: 12.521400 12.521400 10.665200 90.0000 90.0000 90.0000
0.000000 12.521400 xlo xhi
0.000000 12.521400 ylo yhi
0.000000 10.665200 zlo zhi
Masses
1 12.01100 # C
2 14.00674 # N
3 15.99940 # O
4 28.08550 # Si
Atoms
1 1 4 0.00000000 12.405222 12.406763 0.069328 0 0 0 # Si1 Si
2 2 4 0.00000000 2.139638 2.230535 1.515202 0 0 0 # Si2 Si
3 3 3 0.00000000 1.077000 1.231095 0.173756 0 0 0 # O1 O
4 4 3 0.00000000 4.196969 1.780158 0.272215 0 0 0 # O2 O
5 5 3 0.00000000 0.874494 3.386959 1.362550 0 0 0 # O3 O
6 6 1 0.00000000 3.133311 2.722365 10.641573 0 0 0 # C1 C
7 7 4 0.00000000 0.085013 0.020272 2.713303 0 0 0 # Si3 Si
8 8 4 0.00000000 1.714423 2.058367 4.146187 0 0 0 # Si4 Si
9 9 3 0.00000000 1.158159 1.324342 2.671016 0 0 0 # O5 O
10 10 3 0.00000000 4.455412 0.568038 4.447411 0 0 0 # O6 O
11 11 3 0.00000000 0.944017 3.549378 3.846711 0 0 0 # O7 O
12 12 1 0.00000000 3.227478 2.316364 3.094506 0 0 0 # C18 C
13 13 4 0.00000000 0.731098 11.815017 5.073329 0 0 0 # Si5 Si
14 14 4 0.00000000 1.785164 1.789189 6.787836 0 0 0 # Si6 Si
15 15 1 0.00000000 0.194949 1.907921 5.345516 0 0 0 # C30 C
16 16 2 0.00000000 2.838956 0.402848 7.111673 0 0 0 # N8 N
17 17 1 0.00000000 0.271476 3.017667 6.365504 0 0 0 # C8 C
18 18 3 0.00000000 2.618040 2.695085 5.605007 0 0 0 # O12 O
19 19 4 0.00000000 12.368216 12.316118 7.945533 0 0 0 # Si7 Si
20 20 4 0.00000000 1.892089 1.912165 9.497156 0 0 0 # Si8 Si
21 21 3 0.00000000 0.835156 1.188257 8.070201 0 0 0 # O13 O
22 22 3 0.00000000 3.039149 0.608665 9.489651 0 0 0 # O14 O
23 23 3 0.00000000 0.734515 3.245219 9.403530 0 0 0 # O15 O
24 24 3 0.00000000 2.499169 2.738458 7.957877 0 0 0 # O16 O
25 25 4 0.00000000 12.495258 4.053169 0.049004 0 0 0 # Si9 Si
26 26 4 0.00000000 2.025431 6.313964 1.256716 0 0 0 # Si10 Si
27 27 3 0.00000000 1.118288 5.402558 10.605763 0 0 0 # O17 O
28 28 3 0.00000000 3.307876 5.026619 1.252481 0 0 0 # O18 O
29 29 3 0.00000000 0.813926 7.608556 1.346308 0 0 0 # O19 O
30 30 1 0.00000000 2.879269 7.148370 10.466030 0 0 0 # C12 C
31 31 4 0.00000000 0.039752 4.239182 2.624035 0 0 0 # Si11 Si
32 32 4 0.00000000 2.062328 6.330253 3.889742 0 0 0 # Si12 Si
33 33 3 0.00000000 1.202836 5.559617 2.541666 0 0 0 # O21 O
34 34 3 0.00000000 3.295640 5.191767 3.627389 0 0 0 # O22 O
35 35 3 0.00000000 0.859527 7.530420 3.928855 0 0 0 # O23 O
36 36 3 0.00000000 2.853585 7.187158 2.612983 0 0 0 # O24 O
37 37 4 0.00000000 0.182556 4.437294 5.269205 0 0 0 # Si13 Si
38 38 4 0.00000000 1.743748 6.775470 6.367180 0 0 0 # Si14 Si
39 39 1 0.00000000 1.691519 5.301574 5.394398 0 0 0 # C16 C
40 40 3 0.00000000 3.937810 4.747364 6.625938 0 0 0 # O26 O
41 41 3 0.00000000 11.588031 6.810773 5.317886 0 0 0 # O27 O
42 42 3 0.00000000 3.009232 7.205584 5.219853 0 0 0 # O28 O
43 43 4 0.00000000 12.461388 3.878594 7.948490 0 0 0 # Si15 Si
44 44 4 0.00000000 1.809646 5.986019 9.134623 0 0 0 # Si16 Si
45 45 3 0.00000000 0.925225 5.219759 8.032098 0 0 0 # O29 O
46 46 3 0.00000000 2.996497 4.815209 9.186842 0 0 0 # O30 O
47 47 3 0.00000000 1.616477 7.560650 9.738235 0 0 0 # O31 O
48 48 3 0.00000000 2.636446 6.892460 7.791188 0 0 0 # O32 O
49 49 4 0.00000000 0.162022 8.531719 0.045778 0 0 0 # Si17 Si
50 50 4 0.00000000 2.152146 10.530037 1.497790 0 0 0 # Si18 Si
51 51 3 0.00000000 1.399783 9.700212 0.081337 0 0 0 # O33 O
52 52 3 0.00000000 3.403018 9.246136 1.444815 0 0 0 # O34 O
53 53 3 0.00000000 0.856739 11.653335 1.419564 0 0 0 # O35 O
54 54 3 0.00000000 2.996694 11.188694 0.128529 0 0 0 # O36 O
55 55 4 0.00000000 12.436454 8.350969 2.729448 0 0 0 # Si19 Si
56 56 4 0.00000000 2.263326 10.371923 3.999769 0 0 0 # Si20 Si
57 57 3 0.00000000 1.331661 9.616846 2.770238 0 0 0 # O37 O
58 58 3 0.00000000 3.598641 9.192769 4.018723 0 0 0 # O38 O
59 59 3 0.00000000 2.091426 0.512423 4.897621 0 0 0 # O39 O
60 60 2 0.00000000 3.003159 11.449227 2.816327 0 0 0 # N6 N
61 61 4 0.00000000 0.211300 8.279232 5.402999 0 0 0 # Si21 Si
62 62 4 0.00000000 2.224395 10.223531 6.760995 0 0 0 # Si22 Si
63 63 3 0.00000000 1.513737 9.446851 5.381770 0 0 0 # O41 O
64 64 3 0.00000000 3.468939 9.023996 6.801733 0 0 0 # O42 O
65 65 3 0.00000000 0.836577 11.355347 6.720205 0 0 0 # O43 O
66 66 3 0.00000000 3.119330 10.953677 5.404218 0 0 0 # O44 O
67 67 4 0.00000000 12.295618 8.934785 8.335083 0 0 0 # Si23 Si
68 68 4 0.00000000 2.131867 10.571886 9.383083 0 0 0 # Si24 Si
69 69 3 0.00000000 1.373313 9.476171 8.128879 0 0 0 # O45 O
70 70 3 0.00000000 3.483565 9.281680 9.315058 0 0 0 # O46 O
71 71 3 0.00000000 0.790526 11.672987 9.412028 0 0 0 # O47 O
72 72 1 0.00000000 2.966423 11.376045 7.902750 0 0 0 # C10 C
73 73 4 0.00000000 3.694545 0.138786 0.439654 0 0 0 # Si25 Si
74 74 4 0.00000000 6.306154 2.222314 1.269347 0 0 0 # Si26 Si
75 75 1 0.00000000 5.534623 1.368362 10.501512 0 0 0 # C28 C
76 76 3 0.00000000 7.558813 1.047969 1.317474 0 0 0 # O50 O
77 77 3 0.00000000 5.150090 3.649101 1.170934 0 0 0 # O51 O
78 78 3 0.00000000 7.146910 3.100845 10.612333 0 0 0 # O52 O
79 79 4 0.00000000 3.850591 0.539985 2.731853 0 0 0 # Si27 Si
80 80 4 0.00000000 6.141114 2.526940 3.948521 0 0 0 # Si28 Si
81 81 3 0.00000000 5.475605 1.315187 2.488248 0 0 0 # O53 O
82 82 1 0.00000000 7.275679 1.116791 4.476613 0 0 0 # C11 C
83 83 1 0.00000000 4.357190 3.126536 3.813768 0 0 0 # C26 C
84 84 2 0.00000000 9.252229 1.695818 2.769478 0 0 0 # N7 N
85 85 4 0.00000000 3.572857 12.496545 5.666437 0 0 0 # Si29 Si
86 86 4 0.00000000 6.529233 2.511372 6.649514 0 0 0 # Si30 Si
87 87 4 0.00000000 6.020145 12.451112 5.081443 0 0 0 # Si73 Si
88 88 3 0.00000000 7.545093 1.125774 6.857496 0 0 0 # O58 O
89 89 3 0.00000000 4.969460 2.003789 6.552668 0 0 0 # O59 O
90 90 2 0.00000000 6.996075 3.380608 5.301130 0 0 0 # N4 N
91 91 4 0.00000000 4.174678 0.126880 8.223099 0 0 0 # Si31 Si
92 92 4 0.00000000 6.521490 2.229726 9.273265 0 0 0 # Si32 Si
93 93 1 0.00000000 5.125672 1.755340 8.033667 0 0 0 # C4 C
94 94 3 0.00000000 7.636701 0.951789 9.332282 0 0 0 # O62 O
95 95 1 0.00000000 5.044952 3.243958 8.659866 0 0 0 # C29 C
96 96 1 0.00000000 6.327888 3.684117 7.957962 0 0 0 # C3 C
97 97 4 0.00000000 4.143601 4.261349 10.555179 0 0 0 # Si33 Si
98 98 4 0.00000000 6.317553 6.457760 1.367597 0 0 0 # Si34 Si
99 99 1 0.00000000 4.990360 5.848134 9.964695 0 0 0 # C31 C
100 100 3 0.00000000 7.592709 5.150781 1.178268 0 0 0 # O66 O
101 101 3 0.00000000 4.856109 7.433274 1.352233 0 0 0 # O67 O
102 102 2 0.00000000 6.939079 7.282866 0.074468 0 0 0 # N5 N
103 103 4 0.00000000 4.301508 4.392915 2.515218 0 0 0 # Si35 Si
104 104 4 0.00000000 6.366251 6.179324 4.014556 0 0 0 # Si36 Si
105 105 3 0.00000000 5.543894 5.529118 2.573738 0 0 0 # O69 O
106 106 3 0.00000000 7.719213 5.046168 3.819517 0 0 0 # O70 O
107 107 3 0.00000000 5.173105 7.571966 4.090566 0 0 0 # O71 O
108 108 3 0.00000000 7.093521 7.097286 2.693203 0 0 0 # O72 O
109 109 4 0.00000000 3.286978 4.207419 5.020741 0 0 0 # Si37 Si
110 110 4 0.00000000 5.429313 5.827799 6.375166 0 0 0 # Si38 Si
111 111 3 0.00000000 5.266015 5.257295 4.883864 0 0 0 # O73 O
112 112 1 0.00000000 7.559772 5.493914 6.850529 0 0 0 # C27 C
113 113 3 0.00000000 4.848274 7.301169 6.804315 0 0 0 # O75 O
114 114 1 0.00000000 7.259612 6.448538 5.834350 0 0 0 # C23 C
115 115 4 0.00000000 3.601213 3.918626 7.982317 0 0 0 # Si39 Si
116 116 4 0.00000000 6.611186 6.353362 9.399409 0 0 0 # Si40 Si
117 117 2 0.00000000 6.384607 5.033496 7.515455 0 0 0 # N3 N
118 118 3 0.00000000 7.756751 5.149882 9.367508 0 0 0 # O78 O
119 119 1 0.00000000 4.158044 6.918397 9.643227 0 0 0 # C13 C
120 120 3 0.00000000 6.907632 7.366082 8.209248 0 0 0 # O80 O
121 121 4 0.00000000 4.161274 8.546764 0.118670 0 0 0 # Si41 Si
122 122 4 0.00000000 6.430022 10.316810 1.380986 0 0 0 # Si42 Si
123 123 3 0.00000000 5.485833 9.552758 0.022155 0 0 0 # O81 O
124 124 3 0.00000000 7.692231 9.223838 1.460553 0 0 0 # O82 O
125 125 1 0.00000000 5.495828 12.427275 10.579832 0 0 0 # C6 C
126 126 1 0.00000000 6.733151 11.577180 0.104931 0 0 0 # C17 C
127 127 4 0.00000000 4.154348 8.263799 2.679416 0 0 0 # Si43 Si
128 128 4 0.00000000 6.192358 9.634077 4.030823 0 0 0 # Si44 Si
129 129 3 0.00000000 5.533411 9.328109 2.504166 0 0 0 # O85 O
130 130 2 0.00000000 7.653327 8.922527 4.146052 0 0 0 # N9 N
131 131 1 0.00000000 5.923207 11.347484 3.712419 0 0 0 # C25 C
132 132 1 0.00000000 6.758197 11.536460 2.709596 0 0 0 # C2 C
133 133 4 0.00000000 4.236638 8.314221 5.417188 0 0 0 # Si45 Si
134 134 4 0.00000000 6.709821 10.110151 6.824665 0 0 0 # Si46 Si
135 135 3 0.00000000 5.580839 9.433386 5.606524 0 0 0 # O89 O
136 136 1 0.00000000 8.198944 9.136255 6.745638 0 0 0 # C22 C
137 137 3 0.00000000 5.094172 12.088212 6.458739 0 0 0 # O91 O
138 138 3 0.00000000 7.204650 11.322976 5.702845 0 0 0 # O92 O
139 139 4 0.00000000 4.006971 8.124508 8.134388 0 0 0 # Si47 Si
140 140 4 0.00000000 6.317127 10.469734 9.364201 0 0 0 # Si48 Si
141 141 3 0.00000000 5.642975 9.552968 8.060064 0 0 0 # O93 O
142 142 3 0.00000000 7.698641 9.376663 9.498710 0 0 0 # O94 O
143 143 3 0.00000000 5.101499 11.765442 9.280928 0 0 0 # O95 O
144 144 3 0.00000000 7.137534 11.323531 8.039000 0 0 0 # O96 O
145 145 4 0.00000000 8.296404 0.013528 0.142250 0 0 0 # Si49 Si
146 146 4 0.00000000 10.286430 2.039655 1.445826 0 0 0 # Si50 Si
147 147 3 0.00000000 9.538361 1.272707 0.024535 0 0 0 # O97 O
148 148 1 0.00000000 11.453817 0.619112 1.513461 0 0 0 # C5 C
149 149 3 0.00000000 9.199564 3.465212 1.228118 0 0 0 # O99 O
150 150 3 0.00000000 11.287767 2.723285 0.119713 0 0 0 # O100 O
151 151 4 0.00000000 8.084254 0.393641 2.827085 0 0 0 # Si51 Si
152 152 4 0.00000000 10.162027 2.616492 3.963780 0 0 0 # Si52 Si
153 153 3 0.00000000 10.500654 0.974721 4.410119 0 0 0 # O101 O
154 154 1 0.00000000 11.609045 0.318638 4.522686 0 0 0 # C15 C
155 155 3 0.00000000 7.007906 3.149677 2.584398 0 0 0 # O103 O
156 156 3 0.00000000 11.264588 2.981419 2.706631 0 0 0 # O104 O
157 157 4 0.00000000 8.729414 11.904601 5.360486 0 0 0 # Si53 Si
158 158 4 0.00000000 9.977703 2.112911 6.570306 0 0 0 # Si54 Si
159 159 1 0.00000000 8.368950 1.172191 5.608687 0 0 0 # C14 C
160 160 2 0.00000000 12.328053 0.645669 5.724657 0 0 0 # N1 N
161 161 3 0.00000000 9.093065 3.539276 6.749431 0 0 0 # O107 O
162 162 1 0.00000000 11.498991 2.736134 5.607662 0 0 0 # C24 C
163 163 4 0.00000000 8.347655 0.046156 8.145295 0 0 0 # Si55 Si
164 164 4 0.00000000 10.442449 1.979634 9.424536 0 0 0 # Si56 Si
165 165 3 0.00000000 9.658251 1.268446 8.011622 0 0 0 # O109 O
166 166 3 0.00000000 11.547148 0.623557 9.366758 0 0 0 # O110 O
167 167 3 0.00000000 9.042683 3.273882 9.226231 0 0 0 # O111 O
168 168 3 0.00000000 11.135306 2.928329 8.221793 0 0 0 # O112 O
169 169 4 0.00000000 8.439206 4.192542 10.579695 0 0 0 # Si57 Si
170 170 4 0.00000000 10.513038 6.263530 1.252240 0 0 0 # Si58 Si
171 171 1 0.00000000 10.040565 5.240805 10.343060 0 0 0 # C19 C
172 172 3 0.00000000 11.740640 4.964986 1.328859 0 0 0 # O114 O
173 173 3 0.00000000 9.202959 7.472177 1.376961 0 0 0 # O115 O
174 174 3 0.00000000 11.342527 7.306428 10.591453 0 0 0 # O116 O
175 175 4 0.00000000 8.329023 4.299018 2.445579 0 0 0 # Si59 Si
176 176 4 0.00000000 10.502151 6.160574 3.956406 0 0 0 # Si60 Si
177 177 3 0.00000000 9.739527 5.304400 2.587112 0 0 0 # O117 O
178 178 3 0.00000000 11.759295 4.983657 3.951747 0 0 0 # O118 O
179 179 3 0.00000000 9.142899 7.178279 3.922937 0 0 0 # O119 O
180 180 3 0.00000000 11.268477 7.013641 2.623586 0 0 0 # O120 O
181 181 4 0.00000000 8.514876 4.189265 5.135300 0 0 0 # Si61 Si
182 182 4 0.00000000 10.854010 6.323599 6.697161 0 0 0 # Si62 Si
183 183 3 0.00000000 9.754718 5.346322 5.285299 0 0 0 # O121 O
184 184 3 0.00000000 11.614764 4.899278 6.767121 0 0 0 # O122 O
185 185 3 0.00000000 9.508489 7.142180 7.003494 0 0 0 # O123 O
186 186 3 0.00000000 10.287951 8.561666 5.181807 0 0 0 # O124 O
187 187 4 0.00000000 8.801095 4.588456 8.070197 0 0 0 # Si63 Si
188 188 4 0.00000000 10.580418 7.301926 9.069191 0 0 0 # Si64 Si
189 189 1 0.00000000 10.244277 5.507154 8.798975 0 0 0 # C20 C
190 190 1 0.00000000 11.141721 4.827036 9.661993 0 0 0 # C7 C
191 191 3 0.00000000 8.971798 7.397481 9.550691 0 0 0 # O127 O
192 192 3 0.00000000 11.935506 7.203779 8.023517 0 0 0 # O128 O
193 193 4 0.00000000 8.279987 8.342054 0.150466 0 0 0 # Si65 Si
194 194 4 0.00000000 10.360375 10.399734 1.351112 0 0 0 # Si66 Si
195 195 3 0.00000000 9.653984 9.458366 0.108478 0 0 0 # O129 O
196 196 3 0.00000000 11.761896 9.231881 1.381945 0 0 0 # O130 O
197 197 3 0.00000000 9.143021 11.665653 1.283187 0 0 0 # O131 O
198 198 3 0.00000000 11.234855 11.034638 0.008347 0 0 0 # O132 O
199 199 4 0.00000000 8.459096 8.261310 2.777411 0 0 0 # Si67 Si
200 200 4 0.00000000 10.432352 10.563144 3.862736 0 0 0 # Si68 Si
201 201 3 0.00000000 9.647023 9.590592 2.691109 0 0 0 # O133 O
202 202 1 0.00000000 11.515896 9.110405 4.258606 0 0 0 # C21 C
203 203 3 0.00000000 9.005139 11.829649 3.716394 0 0 0 # O135 O
204 204 3 0.00000000 11.163793 11.352840 2.545249 0 0 0 # O136 O
205 205 4 0.00000000 8.391175 7.932464 5.385742 0 0 0 # Si69 Si
206 206 4 0.00000000 10.149405 9.568216 6.557757 0 0 0 # Si70 Si
207 207 3 0.00000000 9.468749 10.478913 5.232118 0 0 0 # O137 O
208 208 3 0.00000000 11.971862 9.129907 6.713390 0 0 0 # O138 O
209 209 3 0.00000000 9.339045 11.777987 7.051359 0 0 0 # O139 O
210 210 3 0.00000000 11.435085 11.520951 4.874887 0 0 0 # O140 O
211 211 4 0.00000000 8.280731 8.284405 8.246852 0 0 0 # Si71 Si
212 212 4 0.00000000 10.196240 10.391034 9.497892 0 0 0 # Si72 Si
213 213 2 0.00000000 10.231560 9.013024 8.428280 0 0 0 # N2 N
214 214 3 0.00000000 11.372943 10.947488 8.404655 0 0 0 # O142 O
215 215 3 0.00000000 9.131769 11.684569 9.409369 0 0 0 # O143 O
216 216 1 0.00000000 10.777050 11.327724 7.102173 0 0 0 # C9 C