LAMMPS Description
216 atoms
3 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 15.99940 # O
3 28.08550 # Si
Atoms
1 1 3 0.00000000 0.000000 0.000000 0.000000 0 0 0 # Si1 Si
2 2 3 0.00000000 2.086900 2.086900 1.333150 0 0 0 # Si2 Si
3 3 2 0.00000000 1.280104 1.280104 0.000000 0 0 0 # O1 O
4 4 2 0.00000000 3.367004 0.806796 1.333150 0 0 0 # O2 O
5 5 2 0.00000000 0.806796 3.367004 1.333150 0 0 0 # O3 O
6 6 2 0.00000000 2.893696 2.893696 0.000000 0 0 0 # O4 O
7 7 3 0.00000000 0.000000 0.000000 2.666300 0 0 0 # Si3 Si
8 8 3 0.00000000 2.086900 2.086900 3.999450 0 0 0 # Si4 Si
9 9 2 0.00000000 1.280104 1.280104 2.666300 0 0 0 # O5 O
10 10 2 0.00000000 3.367004 0.806796 3.999450 0 0 0 # O6 O
11 11 2 0.00000000 0.806796 3.367004 3.999450 0 0 0 # O7 O
12 12 2 0.00000000 2.893696 2.893696 2.666300 0 0 0 # O8 O
13 13 3 0.00000000 0.000000 0.000000 5.332600 0 0 0 # Si5 Si
14 14 3 0.00000000 2.086900 2.086900 6.665750 0 0 0 # Si6 Si
15 15 2 0.00000000 1.280104 1.280104 5.332600 0 0 0 # O9 O
16 16 1 0.00000000 3.367004 0.806796 6.665750 0 0 0 # C20 C
17 17 2 0.00000000 0.806796 3.367004 6.665750 0 0 0 # O11 O
18 18 1 0.00000000 2.893696 2.893696 5.332600 0 0 0 # C7 C
19 19 3 0.00000000 0.000000 0.000000 7.998900 0 0 0 # Si7 Si
20 20 3 0.00000000 2.086900 2.086900 9.332050 0 0 0 # Si8 Si
21 21 1 0.00000000 1.280104 1.280104 7.998900 0 0 0 # C43 C
22 22 2 0.00000000 3.367004 0.806796 9.332050 0 0 0 # O14 O
23 23 2 0.00000000 0.806796 3.367004 9.332050 0 0 0 # O15 O
24 24 2 0.00000000 2.893696 2.893696 7.998900 0 0 0 # O16 O
25 25 3 0.00000000 0.000000 4.173800 0.000000 0 0 0 # Si9 Si
26 26 3 0.00000000 2.086900 6.260700 1.333150 0 0 0 # Si10 Si
27 27 2 0.00000000 1.280104 5.453904 0.000000 0 0 0 # O17 O
28 28 1 0.00000000 3.367004 4.980596 1.333150 0 0 0 # C6 C
29 29 2 0.00000000 0.806796 7.540804 1.333150 0 0 0 # O19 O
30 30 2 0.00000000 2.893696 7.067496 0.000000 0 0 0 # O20 O
31 31 3 0.00000000 0.000000 4.173800 2.666300 0 0 0 # Si11 Si
32 32 3 0.00000000 2.086900 6.260700 3.999450 0 0 0 # Si12 Si
33 33 1 0.00000000 1.280104 5.453904 2.666300 0 0 0 # C19 C
34 34 2 0.00000000 3.367004 4.980596 3.999450 0 0 0 # O22 O
35 35 2 0.00000000 0.806796 7.540804 3.999450 0 0 0 # O23 O
36 36 2 0.00000000 2.893696 7.067496 2.666300 0 0 0 # O24 O
37 37 3 0.00000000 0.000000 4.173800 5.332600 0 0 0 # Si13 Si
38 38 3 0.00000000 2.086900 6.260700 6.665750 0 0 0 # Si14 Si
39 39 2 0.00000000 1.280104 5.453904 5.332600 0 0 0 # O25 O
40 40 2 0.00000000 3.367004 4.980596 6.665750 0 0 0 # O26 O
41 41 2 0.00000000 0.806796 7.540804 6.665750 0 0 0 # O27 O
42 42 2 0.00000000 2.893696 7.067496 5.332600 0 0 0 # O28 O
43 43 3 0.00000000 0.000000 4.173800 7.998900 0 0 0 # Si15 Si
44 44 3 0.00000000 2.086900 6.260700 9.332050 0 0 0 # Si16 Si
45 45 2 0.00000000 1.280104 5.453904 7.998900 0 0 0 # O29 O
46 46 2 0.00000000 3.367004 4.980596 9.332050 0 0 0 # O30 O
47 47 2 0.00000000 0.806796 7.540804 9.332050 0 0 0 # O31 O
48 48 2 0.00000000 2.893696 7.067496 7.998900 0 0 0 # O32 O
49 49 3 0.00000000 0.000000 8.347600 0.000000 0 0 0 # Si17 Si
50 50 3 0.00000000 2.086900 10.434500 1.333150 0 0 0 # Si18 Si
51 51 2 0.00000000 1.280104 9.627704 0.000000 0 0 0 # O33 O
52 52 2 0.00000000 3.367004 9.154396 1.333150 0 0 0 # O34 O
53 53 1 0.00000000 0.806796 11.714604 1.333150 0 0 0 # C35 C
54 54 2 0.00000000 2.893696 11.241296 0.000000 0 0 0 # O36 O
55 55 3 0.00000000 0.000000 8.347600 2.666300 0 0 0 # Si19 Si
56 56 3 0.00000000 2.086900 10.434500 3.999450 0 0 0 # Si20 Si
57 57 2 0.00000000 1.280104 9.627704 2.666300 0 0 0 # O37 O
58 58 2 0.00000000 3.367004 9.154396 3.999450 0 0 0 # O38 O
59 59 2 0.00000000 0.806796 11.714604 3.999450 0 0 0 # O39 O
60 60 2 0.00000000 2.893696 11.241296 2.666300 0 0 0 # O40 O
61 61 3 0.00000000 0.000000 8.347600 5.332600 0 0 0 # Si21 Si
62 62 3 0.00000000 2.086900 10.434500 6.665750 0 0 0 # Si22 Si
63 63 1 0.00000000 1.280104 9.627704 5.332600 0 0 0 # C32 C
64 64 2 0.00000000 3.367004 9.154396 6.665750 0 0 0 # O42 O
65 65 2 0.00000000 0.806796 11.714604 6.665750 0 0 0 # O43 O
66 66 2 0.00000000 2.893696 11.241296 5.332600 0 0 0 # O44 O
67 67 3 0.00000000 0.000000 8.347600 7.998900 0 0 0 # Si23 Si
68 68 3 0.00000000 2.086900 10.434500 9.332050 0 0 0 # Si24 Si
69 69 2 0.00000000 1.280104 9.627704 7.998900 0 0 0 # O45 O
70 70 1 0.00000000 3.367004 9.154396 9.332050 0 0 0 # C16 C
71 71 1 0.00000000 0.806796 11.714604 9.332050 0 0 0 # C44 C
72 72 2 0.00000000 2.893696 11.241296 7.998900 0 0 0 # O48 O
73 73 3 0.00000000 4.173800 0.000000 0.000000 0 0 0 # Si25 Si
74 74 3 0.00000000 6.260700 2.086900 1.333150 0 0 0 # Si26 Si
75 75 2 0.00000000 5.453904 1.280104 0.000000 0 0 0 # O49 O
76 76 2 0.00000000 7.540804 0.806796 1.333150 0 0 0 # O50 O
77 77 2 0.00000000 4.980596 3.367004 1.333150 0 0 0 # O51 O
78 78 1 0.00000000 7.067496 2.893696 0.000000 0 0 0 # C15 C
79 79 3 0.00000000 4.173800 0.000000 2.666300 0 0 0 # Si27 Si
80 80 3 0.00000000 6.260700 2.086900 3.999450 0 0 0 # Si28 Si
81 81 2 0.00000000 5.453904 1.280104 2.666300 0 0 0 # O53 O
82 82 2 0.00000000 7.540804 0.806796 3.999450 0 0 0 # O54 O
83 83 2 0.00000000 4.980596 3.367004 3.999450 0 0 0 # O55 O
84 84 2 0.00000000 7.067496 2.893696 2.666300 0 0 0 # O56 O
85 85 3 0.00000000 4.173800 0.000000 5.332600 0 0 0 # Si29 Si
86 86 3 0.00000000 6.260700 2.086900 6.665750 0 0 0 # Si30 Si
87 87 2 0.00000000 5.453904 1.280104 5.332600 0 0 0 # O57 O
88 88 2 0.00000000 7.540804 0.806796 6.665750 0 0 0 # O58 O
89 89 1 0.00000000 4.980596 3.367004 6.665750 0 0 0 # C23 C
90 90 2 0.00000000 7.067496 2.893696 5.332600 0 0 0 # O60 O
91 91 3 0.00000000 4.173800 0.000000 7.998900 0 0 0 # Si31 Si
92 92 1 0.00000000 6.260700 2.086900 9.332050 0 0 0 # C1 C
93 93 1 0.00000000 5.453904 1.280104 7.998900 0 0 0 # C5 C
94 94 2 0.00000000 7.540804 0.806796 9.332050 0 0 0 # O62 O
95 95 1 0.00000000 4.980596 3.367004 9.332050 0 0 0 # C13 C
96 96 2 0.00000000 7.067496 2.893696 7.998900 0 0 0 # O64 O
97 97 3 0.00000000 4.173800 4.173800 0.000000 0 0 0 # Si33 Si
98 98 3 0.00000000 6.260700 6.260700 1.333150 0 0 0 # Si34 Si
99 99 2 0.00000000 5.453904 5.453904 0.000000 0 0 0 # O65 O
100 100 2 0.00000000 7.540804 4.980596 1.333150 0 0 0 # O66 O
101 101 2 0.00000000 4.980596 7.540804 1.333150 0 0 0 # O67 O
102 102 1 0.00000000 7.067496 7.067496 0.000000 0 0 0 # C33 C
103 103 3 0.00000000 4.173800 4.173800 2.666300 0 0 0 # Si35 Si
104 104 3 0.00000000 6.260700 6.260700 3.999450 0 0 0 # Si36 Si
105 105 2 0.00000000 5.453904 5.453904 2.666300 0 0 0 # O69 O
106 106 1 0.00000000 7.540804 4.980596 3.999450 0 0 0 # C14 C
107 107 1 0.00000000 4.980596 7.540804 3.999450 0 0 0 # C18 C
108 108 1 0.00000000 7.067496 7.067496 2.666300 0 0 0 # C12 C
109 109 3 0.00000000 4.173800 4.173800 5.332600 0 0 0 # Si37 Si
110 110 3 0.00000000 6.260700 6.260700 6.665750 0 0 0 # Si38 Si
111 111 2 0.00000000 5.453904 5.453904 5.332600 0 0 0 # O73 O
112 112 1 0.00000000 7.540804 4.980596 6.665750 0 0 0 # C11 C
113 113 1 0.00000000 4.980596 7.540804 6.665750 0 0 0 # C17 C
114 114 2 0.00000000 7.067496 7.067496 5.332600 0 0 0 # O76 O
115 115 3 0.00000000 4.173800 4.173800 7.998900 0 0 0 # Si39 Si
116 116 1 0.00000000 6.260700 6.260700 9.332050 0 0 0 # C3 C
117 117 2 0.00000000 5.453904 5.453904 7.998900 0 0 0 # O77 O
118 118 2 0.00000000 7.540804 4.980596 9.332050 0 0 0 # O78 O
119 119 1 0.00000000 4.980596 7.540804 9.332050 0 0 0 # C26 C
120 120 2 0.00000000 7.067496 7.067496 7.998900 0 0 0 # O80 O
121 121 1 0.00000000 4.173800 8.347600 0.000000 0 0 0 # C2 C
122 122 3 0.00000000 6.260700 10.434500 1.333150 0 0 0 # Si42 Si
123 123 1 0.00000000 5.453904 9.627704 0.000000 0 0 0 # C22 C
124 124 2 0.00000000 7.540804 9.154396 1.333150 0 0 0 # O82 O
125 125 2 0.00000000 4.980596 11.714604 1.333150 0 0 0 # O83 O
126 126 2 0.00000000 7.067496 11.241296 0.000000 0 0 0 # O84 O
127 127 3 0.00000000 4.173800 8.347600 2.666300 0 0 0 # Si43 Si
128 128 3 0.00000000 6.260700 10.434500 3.999450 0 0 0 # Si44 Si
129 129 2 0.00000000 5.453904 9.627704 2.666300 0 0 0 # O85 O
130 130 2 0.00000000 7.540804 9.154396 3.999450 0 0 0 # O86 O
131 131 1 0.00000000 4.980596 11.714604 3.999450 0 0 0 # C8 C
132 132 2 0.00000000 7.067496 11.241296 2.666300 0 0 0 # O88 O
133 133 3 0.00000000 4.173800 8.347600 5.332600 0 0 0 # Si45 Si
134 134 3 0.00000000 6.260700 10.434500 6.665750 0 0 0 # Si46 Si
135 135 1 0.00000000 5.453904 9.627704 5.332600 0 0 0 # C40 C
136 136 2 0.00000000 7.540804 9.154396 6.665750 0 0 0 # O90 O
137 137 2 0.00000000 4.980596 11.714604 6.665750 0 0 0 # O91 O
138 138 2 0.00000000 7.067496 11.241296 5.332600 0 0 0 # O92 O
139 139 3 0.00000000 4.173800 8.347600 7.998900 0 0 0 # Si47 Si
140 140 3 0.00000000 6.260700 10.434500 9.332050 0 0 0 # Si48 Si
141 141 2 0.00000000 5.453904 9.627704 7.998900 0 0 0 # O93 O
142 142 1 0.00000000 7.540804 9.154396 9.332050 0 0 0 # C34 C
143 143 2 0.00000000 4.980596 11.714604 9.332050 0 0 0 # O95 O
144 144 2 0.00000000 7.067496 11.241296 7.998900 0 0 0 # O96 O
145 145 3 0.00000000 8.347600 0.000000 0.000000 0 0 0 # Si49 Si
146 146 3 0.00000000 10.434500 2.086900 1.333150 0 0 0 # Si50 Si
147 147 2 0.00000000 9.627704 1.280104 0.000000 0 0 0 # O97 O
148 148 1 0.00000000 11.714604 0.806796 1.333150 0 0 0 # C41 C
149 149 2 0.00000000 9.154396 3.367004 1.333150 0 0 0 # O99 O
150 150 2 0.00000000 11.241296 2.893696 0.000000 0 0 0 # O100 O
151 151 3 0.00000000 8.347600 0.000000 2.666300 0 0 0 # Si51 Si
152 152 3 0.00000000 10.434500 2.086900 3.999450 0 0 0 # Si52 Si
153 153 1 0.00000000 9.627704 1.280104 2.666300 0 0 0 # C25 C
154 154 2 0.00000000 11.714604 0.806796 3.999450 0 0 0 # O102 O
155 155 2 0.00000000 9.154396 3.367004 3.999450 0 0 0 # O103 O
156 156 2 0.00000000 11.241296 2.893696 2.666300 0 0 0 # O104 O
157 157 3 0.00000000 8.347600 0.000000 5.332600 0 0 0 # Si53 Si
158 158 3 0.00000000 10.434500 2.086900 6.665750 0 0 0 # Si54 Si
159 159 2 0.00000000 9.627704 1.280104 5.332600 0 0 0 # O105 O
160 160 1 0.00000000 11.714604 0.806796 6.665750 0 0 0 # C31 C
161 161 1 0.00000000 9.154396 3.367004 6.665750 0 0 0 # C45 C
162 162 1 0.00000000 11.241296 2.893696 5.332600 0 0 0 # C37 C
163 163 3 0.00000000 8.347600 0.000000 7.998900 0 0 0 # Si55 Si
164 164 3 0.00000000 10.434500 2.086900 9.332050 0 0 0 # Si56 Si
165 165 2 0.00000000 9.627704 1.280104 7.998900 0 0 0 # O109 O
166 166 1 0.00000000 11.714604 0.806796 9.332050 0 0 0 # C24 C
167 167 1 0.00000000 9.154396 3.367004 9.332050 0 0 0 # C36 C
168 168 2 0.00000000 11.241296 2.893696 7.998900 0 0 0 # O112 O
169 169 3 0.00000000 8.347600 4.173800 0.000000 0 0 0 # Si57 Si
170 170 3 0.00000000 10.434500 6.260700 1.333150 0 0 0 # Si58 Si
171 171 2 0.00000000 9.627704 5.453904 0.000000 0 0 0 # O113 O
172 172 2 0.00000000 11.714604 4.980596 1.333150 0 0 0 # O114 O
173 173 1 0.00000000 9.154396 7.540804 1.333150 0 0 0 # C42 C
174 174 2 0.00000000 11.241296 7.067496 0.000000 0 0 0 # O116 O
175 175 3 0.00000000 8.347600 4.173800 2.666300 0 0 0 # Si59 Si
176 176 3 0.00000000 10.434500 6.260700 3.999450 0 0 0 # Si60 Si
177 177 1 0.00000000 9.627704 5.453904 2.666300 0 0 0 # C21 C
178 178 1 0.00000000 11.714604 4.980596 3.999450 0 0 0 # C30 C
179 179 2 0.00000000 9.154396 7.540804 3.999450 0 0 0 # O119 O
180 180 2 0.00000000 11.241296 7.067496 2.666300 0 0 0 # O120 O
181 181 3 0.00000000 8.347600 4.173800 5.332600 0 0 0 # Si61 Si
182 182 3 0.00000000 10.434500 6.260700 6.665750 0 0 0 # Si62 Si
183 183 1 0.00000000 9.627704 5.453904 5.332600 0 0 0 # C27 C
184 184 2 0.00000000 11.714604 4.980596 6.665750 0 0 0 # O122 O
185 185 1 0.00000000 9.154396 7.540804 6.665750 0 0 0 # C10 C
186 186 2 0.00000000 11.241296 7.067496 5.332600 0 0 0 # O124 O
187 187 3 0.00000000 8.347600 4.173800 7.998900 0 0 0 # Si63 Si
188 188 3 0.00000000 10.434500 6.260700 9.332050 0 0 0 # Si64 Si
189 189 2 0.00000000 9.627704 5.453904 7.998900 0 0 0 # O125 O
190 190 2 0.00000000 11.714604 4.980596 9.332050 0 0 0 # O126 O
191 191 1 0.00000000 9.154396 7.540804 9.332050 0 0 0 # C4 C
192 192 2 0.00000000 11.241296 7.067496 7.998900 0 0 0 # O128 O
193 193 3 0.00000000 8.347600 8.347600 0.000000 0 0 0 # Si65 Si
194 194 3 0.00000000 10.434500 10.434500 1.333150 0 0 0 # Si66 Si
195 195 1 0.00000000 9.627704 9.627704 0.000000 0 0 0 # C29 C
196 196 2 0.00000000 11.714604 9.154396 1.333150 0 0 0 # O130 O
197 197 2 0.00000000 9.154396 11.714604 1.333150 0 0 0 # O131 O
198 198 1 0.00000000 11.241296 11.241296 0.000000 0 0 0 # C9 C
199 199 3 0.00000000 8.347600 8.347600 2.666300 0 0 0 # Si67 Si
200 200 3 0.00000000 10.434500 10.434500 3.999450 0 0 0 # Si68 Si
201 201 2 0.00000000 9.627704 9.627704 2.666300 0 0 0 # O133 O
202 202 1 0.00000000 11.714604 9.154396 3.999450 0 0 0 # C28 C
203 203 2 0.00000000 9.154396 11.714604 3.999450 0 0 0 # O135 O
204 204 2 0.00000000 11.241296 11.241296 2.666300 0 0 0 # O136 O
205 205 3 0.00000000 8.347600 8.347600 5.332600 0 0 0 # Si69 Si
206 206 3 0.00000000 10.434500 10.434500 6.665750 0 0 0 # Si70 Si
207 207 2 0.00000000 9.627704 9.627704 5.332600 0 0 0 # O137 O
208 208 2 0.00000000 11.714604 9.154396 6.665750 0 0 0 # O138 O
209 209 2 0.00000000 9.154396 11.714604 6.665750 0 0 0 # O139 O
210 210 2 0.00000000 11.241296 11.241296 5.332600 0 0 0 # O140 O
211 211 3 0.00000000 8.347600 8.347600 7.998900 0 0 0 # Si71 Si
212 212 3 0.00000000 10.434500 10.434500 9.332050 0 0 0 # Si72 Si
213 213 2 0.00000000 9.627704 9.627704 7.998900 0 0 0 # O141 O
214 214 2 0.00000000 11.714604 9.154396 9.332050 0 0 0 # O142 O
215 215 1 0.00000000 9.154396 11.714604 9.332050 0 0 0 # C39 C
216 216 1 0.00000000 11.241296 11.241296 7.998900 0 0 0 # C38 C