ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

rename example folders

Browse Source
This commit is contained in:
Axel Kohlmeyer
2021-06-29 11:23:47 -04:00
parent b8c5f08e75
commit 4342987043
1351 changed files with 4 additions and 3 deletions
Download Patch File Download Diff File Expand all files Collapse all files

534
examples/PACKAGES/phonon/dynamical_matrix_command/Silicon/lmp_bank/amorphous_silicon.lmp Normal file
View File

@ -0,0 +1,534 @@
LAMMPS description
512 atoms
0 bonds
0 angles
0 dihedrals
0 impropers
1 atom types
0 bond types
0 angle types
0 dihedral types
0 improper types
0.0000000 21.848000 xlo xhi
0.0000000 21.848000 ylo yhi
0.0000000 21.848000 zlo zhi
Atoms
1 1 1 0.0000000 6.2030000 5.5980000 12.9980000
2 2 1 0.0000000 21.3100000 5.6310000 21.1380000
3 3 1 0.0000000 19.5320000 6.1170000 3.6940000
4 4 1 0.0000000 4.3700000 14.0260000 0.0900000
5 5 1 0.0000000 10.1930000 7.4590000 2.3530000
6 6 1 0.0000000 17.5070000 14.1860000 3.6790000
7 7 1 0.0000000 11.2050000 15.9160000 15.0480000
8 8 1 0.0000000 8.6050000 19.8970000 21.0040000
9 9 1 0.0000000 15.0360000 17.5650000 1.3640000
10 10 1 0.0000000 12.0450000 3.3600000 7.2720000
11 11 1 0.0000000 7.1330000 17.4130000 18.0480000
12 12 1 0.0000000 8.7340000 6.3830000 3.8480000
13 13 1 0.0000000 13.0940000 3.2490000 3.5840000
14 14 1 0.0000000 11.3200000 7.2770000 20.4120000
15 15 1 0.0000000 19.7770000 8.9110000 0.3000000
16 16 1 0.0000000 11.9710000 20.8500000 1.5140000
17 17 1 0.0000000 10.4480000 10.3650000 15.4040000
18 18 1 0.0000000 9.2060000 9.4670000 10.2240000
19 19 1 0.0000000 8.4360000 13.6240000 17.6570000
20 20 1 0.0000000 18.2020000 21.1230000 0.1380000
21 21 1 0.0000000 3.2970000 19.5740000 14.7410000
22 22 1 0.0000000 12.5330000 17.3580000 7.5960000
23 23 1 0.0000000 1.4040000 18.1060000 3.1510000
24 24 1 0.0000000 17.7440000 13.1530000 16.7940000
25 25 1 0.0000000 12.1070000 12.6630000 18.0340000
26 26 1 0.0000000 8.7270000 17.1140000 10.4200000
27 27 1 0.0000000 13.2330000 16.0380000 13.9210000
28 28 1 0.0000000 15.2360000 14.8650000 7.0150000
29 29 1 0.0000000 5.5190000 20.8660000 19.9260000
30 30 1 0.0000000 16.5810000 9.7460000 15.1710000
31 31 1 0.0000000 2.0500000 13.8550000 21.8010000
32 32 1 0.0000000 21.2670000 20.8970000 13.6740000
33 33 1 0.0000000 9.6900000 6.7650000 0.1950000
34 34 1 0.0000000 11.2570000 13.2440000 2.8190000
35 35 1 0.0000000 10.7810000 12.7310000 12.1920000
36 36 1 0.0000000 16.2630000 7.4100000 1.5360000
37 37 1 0.0000000 19.6100000 18.1440000 19.6830000
38 38 1 0.0000000 8.1790000 0.1200000 10.1620000
39 39 1 0.0000000 17.0520000 20.4210000 15.0450000
40 40 1 0.0000000 12.3690000 12.6710000 4.8320000
41 41 1 0.0000000 7.8300000 16.6790000 14.2470000
42 42 1 0.0000000 1.6790000 9.9500000 1.2660000
43 43 1 0.0000000 16.6160000 14.6580000 13.2790000
44 44 1 0.0000000 13.7430000 11.9730000 21.5360000
45 45 1 0.0000000 5.2590000 15.1850000 9.5720000
46 46 1 0.0000000 20.5980000 14.7930000 20.4140000
47 47 1 0.0000000 1.5640000 16.8080000 13.0450000
48 48 1 0.0000000 21.3670000 11.4610000 20.6420000
49 49 1 0.0000000 14.5890000 5.9510000 7.1950000
50 50 1 0.0000000 1.0870000 13.5410000 11.3300000
51 51 1 0.0000000 6.2040000 4.8970000 16.9420000
52 52 1 0.0000000 0.4800000 4.1450000 0.8710000
53 53 1 0.0000000 2.0120000 5.7530000 1.8950000
54 54 1 0.0000000 9.8460000 19.1320000 7.3060000
55 55 1 0.0000000 18.3760000 21.3430000 4.0940000
56 56 1 0.0000000 5.2900000 6.5400000 5.3620000
57 57 1 0.0000000 1.4110000 6.5750000 4.0580000
58 58 1 0.0000000 16.1600000 15.1390000 11.0380000
59 59 1 0.0000000 21.0670000 18.3830000 8.6900000
60 60 1 0.0000000 18.0250000 17.7750000 1.4340000
61 61 1 0.0000000 19.0570000 16.2190000 6.6410000
62 62 1 0.0000000 5.1170000 16.5510000 11.5540000
63 63 1 0.0000000 14.4810000 7.8720000 12.6320000
64 64 1 0.0000000 11.7990000 10.9690000 13.5430000
65 65 1 0.0000000 11.2980000 18.5410000 1.5740000
66 66 1 0.0000000 16.1280000 19.0390000 19.6440000
67 67 1 0.0000000 6.0950000 7.0580000 9.6530000
68 68 1 0.0000000 5.3890000 20.2540000 10.7060000
69 69 1 0.0000000 17.9160000 18.9070000 21.1540000
70 70 1 0.0000000 13.0780000 2.1790000 17.4030000
71 71 1 0.0000000 8.0450000 14.3440000 14.0640000
72 72 1 0.0000000 14.4380000 6.8780000 14.6950000
73 73 1 0.0000000 0.4570000 21.6180000 8.3670000
74 74 1 0.0000000 6.4350000 16.9720000 21.7330000
75 75 1 0.0000000 8.0530000 4.0310000 20.1860000
76 76 1 0.0000000 6.8130000 19.7870000 12.5790000
77 77 1 0.0000000 19.0490000 10.8480000 6.0760000
78 78 1 0.0000000 2.2540000 7.7370000 0.5320000
79 79 1 0.0000000 16.3920000 9.0880000 3.1430000
80 80 1 0.0000000 2.3620000 2.5500000 7.5690000
81 81 1 0.0000000 16.4560000 18.5670000 3.1120000
82 82 1 0.0000000 8.9560000 21.0830000 12.3020000
83 83 1 0.0000000 20.5540000 8.9280000 5.9480000
84 84 1 0.0000000 13.5930000 8.4890000 16.2370000
85 85 1 0.0000000 9.5270000 18.0720000 3.0190000
86 86 1 0.0000000 11.3690000 15.3870000 7.1310000
87 87 1 0.0000000 8.3670000 13.3960000 11.8610000
88 88 1 0.0000000 14.6370000 11.4110000 11.4870000
89 89 1 0.0000000 8.4720000 16.0650000 2.4300000
90 90 1 0.0000000 8.2360000 5.2200000 18.1710000
91 91 1 0.0000000 11.0620000 2.8760000 0.4170000
92 92 1 0.0000000 14.0830000 1.3550000 14.0190000
93 93 1 0.0000000 20.5600000 4.1900000 19.4660000
94 94 1 0.0000000 4.6340000 13.0980000 10.3670000
95 95 1 0.0000000 19.9860000 15.5670000 11.7860000
96 96 1 0.0000000 21.5070000 4.1860000 14.8350000
97 97 1 0.0000000 3.3000000 11.2060000 2.5350000
98 98 1 0.0000000 19.2680000 21.0240000 10.9110000
99 99 1 0.0000000 12.2370000 19.4650000 19.9000000
100 100 1 0.0000000 8.3790000 9.6670000 14.5440000
101 101 1 0.0000000 5.4520000 19.1660000 5.6940000
102 102 1 0.0000000 15.8720000 15.4140000 0.3070000
103 103 1 0.0000000 6.9830000 19.1480000 0.5830000
104 104 1 0.0000000 7.9760000 18.3420000 8.5250000
105 105 1 0.0000000 13.9710000 6.7570000 1.1860000
106 106 1 0.0000000 18.7050000 7.2110000 9.2350000
107 107 1 0.0000000 3.2430000 13.6330000 12.1990000
108 108 1 0.0000000 1.9830000 10.8340000 5.4640000
109 109 1 0.0000000 16.5770000 5.0400000 11.4490000
110 110 1 0.0000000 9.5130000 6.2390000 14.3030000
111 111 1 0.0000000 14.1990000 4.0910000 16.7750000
112 112 1 0.0000000 8.0160000 3.5600000 2.0280000
113 113 1 0.0000000 7.9650000 12.1700000 7.8050000
114 114 1 0.0000000 0.3770000 0.0320000 15.5780000
115 115 1 0.0000000 19.0860000 17.5690000 12.6230000
116 116 1 0.0000000 17.2970000 16.8030000 13.9660000
117 117 1 0.0000000 6.7180000 10.5880000 19.5790000
118 118 1 0.0000000 21.3930000 21.2940000 6.2410000
119 119 1 0.0000000 16.0260000 18.7640000 13.6100000
120 120 1 0.0000000 3.1880000 2.1990000 18.5690000
121 121 1 0.0000000 20.7860000 13.7840000 4.4870000
122 122 1 0.0000000 18.3540000 11.7960000 11.0710000
123 123 1 0.0000000 19.3210000 0.4960000 5.9630000
124 124 1 0.0000000 3.7260000 13.4120000 18.4840000
125 125 1 0.0000000 4.4280000 4.9270000 18.4730000
126 126 1 0.0000000 2.7040000 21.7660000 15.2940000
127 127 1 0.0000000 9.3640000 14.3230000 3.7130000
128 128 1 0.0000000 20.5800000 3.3360000 7.9310000
129 129 1 0.0000000 2.4060000 4.1320000 17.3120000
130 130 1 0.0000000 0.9210000 2.6080000 11.0930000
131 131 1 0.0000000 13.7900000 9.5610000 8.2490000
132 132 1 0.0000000 5.5210000 8.6760000 2.5590000
133 133 1 0.0000000 11.1320000 11.1160000 6.1310000
134 134 1 0.0000000 1.6180000 6.5650000 10.7690000
135 135 1 0.0000000 21.0480000 17.3880000 3.1250000
136 136 1 0.0000000 2.5950000 13.3430000 3.3870000
137 137 1 0.0000000 1.8600000 4.7830000 14.1190000
138 138 1 0.0000000 1.2420000 12.9340000 9.0760000
139 139 1 0.0000000 2.2650000 8.2300000 7.4350000
140 140 1 0.0000000 10.9360000 17.8140000 10.9520000
141 141 1 0.0000000 10.3160000 13.8030000 14.5060000
142 142 1 0.0000000 11.0500000 2.5760000 12.8090000
143 143 1 0.0000000 18.3430000 15.3950000 10.0190000
144 144 1 0.0000000 8.2990000 0.3320000 5.4980000
145 145 1 0.0000000 17.9730000 3.4330000 17.4260000
146 146 1 0.0000000 0.8080000 7.5530000 20.4740000
147 147 1 0.0000000 20.6320000 14.4730000 6.7080000
148 148 1 0.0000000 19.3400000 2.8450000 5.9340000
149 149 1 0.0000000 5.2100000 0.9290000 6.2580000
150 150 1 0.0000000 8.6370000 4.0920000 9.2870000
151 151 1 0.0000000 16.5730000 2.0050000 1.7720000
152 152 1 0.0000000 14.6570000 14.1440000 14.4910000
153 153 1 0.0000000 11.1610000 6.0610000 15.8870000
154 154 1 0.0000000 3.8100000 4.2040000 2.1350000
155 155 1 0.0000000 18.6920000 11.8180000 18.5170000
156 156 1 0.0000000 20.4240000 10.6340000 10.7960000
157 157 1 0.0000000 8.9050000 9.9220000 20.2310000
158 158 1 0.0000000 7.7940000 19.5410000 2.7410000
159 159 1 0.0000000 2.7600000 18.2100000 9.0140000
160 160 1 0.0000000 11.7480000 5.0280000 4.3170000
161 161 1 0.0000000 20.6470000 3.0010000 2.1470000
162 162 1 0.0000000 6.5680000 11.9510000 11.1410000
163 163 1 0.0000000 18.0300000 5.6700000 13.1650000
164 164 1 0.0000000 15.8950000 17.4810000 17.7940000
165 165 1 0.0000000 0.6840000 12.2180000 4.0930000
166 166 1 0.0000000 0.9170000 0.0080000 0.9710000
167 167 1 0.0000000 1.5850000 18.4470000 16.1470000
168 168 1 0.0000000 13.1970000 2.0830000 5.6040000
169 169 1 0.0000000 13.4220000 1.6690000 19.6280000
170 170 1 0.0000000 7.2980000 15.5410000 6.4330000
171 171 1 0.0000000 11.8930000 0.1240000 5.2450000
172 172 1 0.0000000 21.5410000 5.4260000 7.3690000
173 173 1 0.0000000 6.2310000 17.4900000 7.1340000
174 174 1 0.0000000 20.3880000 18.7320000 14.2000000
175 175 1 0.0000000 15.0410000 20.5060000 3.2370000
176 176 1 0.0000000 19.8180000 7.0070000 7.1800000
177 177 1 0.0000000 8.4660000 2.7180000 5.7470000
178 178 1 0.0000000 5.4480000 10.4180000 6.1220000
179 179 1 0.0000000 10.8570000 0.2910000 3.1650000
180 180 1 0.0000000 7.1820000 12.9370000 19.5560000
181 181 1 0.0000000 21.6620000 11.8360000 12.5450000
182 182 1 0.0000000 10.9080000 11.2050000 1.6360000
183 183 1 0.0000000 11.2840000 8.4420000 16.6070000
184 184 1 0.0000000 8.0040000 7.5690000 15.4890000
185 185 1 0.0000000 8.0790000 6.2840000 8.6400000
186 186 1 0.0000000 18.9520000 12.1530000 4.0530000
187 187 1 0.0000000 10.3010000 12.0820000 8.1320000
188 188 1 0.0000000 14.4560000 11.6780000 4.7170000
189 189 1 0.0000000 7.1020000 21.2750000 15.8180000
190 190 1 0.0000000 13.1170000 20.7170000 9.0870000
191 191 1 0.0000000 5.3560000 2.2610000 12.5060000
192 192 1 0.0000000 17.3690000 11.1000000 2.4870000
193 193 1 0.0000000 15.9510000 5.0030000 20.2280000
194 194 1 0.0000000 3.3320000 11.8950000 8.8170000
195 195 1 0.0000000 8.2450000 1.7100000 19.8310000
196 196 1 0.0000000 9.0600000 15.9380000 18.2990000
197 197 1 0.0000000 10.3120000 12.4780000 16.5400000
198 198 1 0.0000000 21.2690000 2.1440000 16.1630000
199 199 1 0.0000000 20.7920000 11.3890000 2.6870000
200 200 1 0.0000000 5.5190000 10.8650000 12.9180000
201 201 1 0.0000000 13.1600000 14.6530000 5.7980000
202 202 1 0.0000000 9.4110000 4.0280000 3.9640000
203 203 1 0.0000000 10.1160000 21.3800000 6.7070000
204 204 1 0.0000000 18.8050000 17.5440000 8.7540000
205 205 1 0.0000000 0.2690000 20.1700000 17.2400000
206 206 1 0.0000000 14.6190000 13.4340000 10.3480000
207 207 1 0.0000000 14.9800000 3.6520000 2.2770000
208 208 1 0.0000000 10.4210000 1.4390000 14.8540000
209 209 1 0.0000000 2.8950000 8.5990000 11.0640000
210 210 1 0.0000000 8.3350000 0.6070000 14.2020000
211 211 1 0.0000000 5.6790000 2.9730000 15.7800000
212 212 1 0.0000000 7.9000000 8.2920000 21.6460000
213 213 1 0.0000000 1.7820000 17.8720000 5.4810000
214 214 1 0.0000000 7.1130000 2.5790000 13.9770000
215 215 1 0.0000000 14.4580000 4.6660000 0.2210000
216 216 1 0.0000000 2.6400000 9.9660000 17.7570000
217 217 1 0.0000000 12.9280000 10.2110000 10.3600000
218 218 1 0.0000000 0.5090000 2.0800000 8.8230000
219 219 1 0.0000000 0.9650000 20.6540000 11.9240000
220 220 1 0.0000000 19.5740000 21.0310000 2.1230000
221 221 1 0.0000000 18.6770000 7.8820000 12.9890000
222 222 1 0.0000000 17.1700000 3.9160000 5.7110000
223 223 1 0.0000000 7.0920000 12.0700000 1.6960000
224 224 1 0.0000000 2.6840000 17.0880000 1.3490000
225 225 1 0.0000000 5.4860000 16.7240000 19.5970000
226 226 1 0.0000000 16.3220000 3.8420000 15.8790000
227 227 1 0.0000000 3.8940000 2.4920000 0.4900000
228 228 1 0.0000000 13.2430000 3.5150000 13.0570000
229 229 1 0.0000000 13.3010000 21.5940000 12.5150000
230 230 1 0.0000000 4.9010000 11.9630000 0.9870000
231 231 1 0.0000000 12.6700000 14.8980000 18.4670000
232 232 1 0.0000000 6.4220000 6.6170000 3.2980000
233 233 1 0.0000000 16.6360000 5.9910000 15.0630000
234 234 1 0.0000000 17.9000000 15.3980000 1.6090000
235 235 1 0.0000000 18.1580000 0.8480000 9.7210000
236 236 1 0.0000000 20.2850000 4.8230000 12.9090000
237 237 1 0.0000000 1.6610000 2.7360000 5.3350000
238 238 1 0.0000000 5.8340000 0.9980000 16.9740000
239 239 1 0.0000000 9.0090000 7.7870000 5.7310000
240 240 1 0.0000000 16.1890000 4.3150000 7.8490000
241 241 1 0.0000000 16.5840000 8.9600000 12.9530000
242 242 1 0.0000000 4.8520000 10.4780000 21.0310000
243 243 1 0.0000000 2.7810000 16.7740000 17.2520000
244 244 1 0.0000000 19.7990000 10.0200000 15.9170000
245 245 1 0.0000000 3.1690000 7.6710000 5.2800000
246 246 1 0.0000000 15.1980000 2.3520000 8.6870000
247 247 1 0.0000000 16.3130000 2.2040000 14.2110000
248 248 1 0.0000000 6.3140000 2.9350000 6.7010000
249 249 1 0.0000000 8.2590000 4.5060000 13.2730000
250 250 1 0.0000000 13.9300000 18.2210000 14.4470000
251 251 1 0.0000000 20.2210000 7.9620000 14.8160000
252 252 1 0.0000000 1.6700000 11.5910000 21.3490000
253 253 1 0.0000000 11.2380000 16.3450000 17.3670000
254 254 1 0.0000000 2.0800000 20.2850000 2.3410000
255 255 1 0.0000000 13.5570000 16.5190000 4.3840000
256 256 1 0.0000000 7.4220000 19.6120000 18.9900000
257 257 1 0.0000000 12.9300000 16.8740000 2.1540000
258 258 1 0.0000000 14.8300000 17.0150000 10.5830000
259 259 1 0.0000000 9.9680000 16.3050000 20.5360000
260 260 1 0.0000000 20.9510000 14.9180000 15.5360000
261 261 1 0.0000000 21.2710000 0.7830000 2.5700000
262 262 1 0.0000000 7.5010000 11.4110000 5.6070000
263 263 1 0.0000000 15.1820000 11.1410000 6.9920000
264 264 1 0.0000000 12.3430000 6.8350000 2.9520000
265 265 1 0.0000000 15.6910000 17.3040000 4.9430000
266 266 1 0.0000000 6.2450000 1.4930000 10.4630000
267 267 1 0.0000000 15.3140000 20.7570000 16.6390000
268 268 1 0.0000000 18.2310000 18.8700000 10.8220000
269 269 1 0.0000000 19.9080000 8.2790000 11.0020000
270 270 1 0.0000000 16.2580000 5.0600000 3.6820000
271 271 1 0.0000000 3.6660000 15.6980000 13.3000000
272 272 1 0.0000000 21.3440000 9.2620000 2.0490000
273 273 1 0.0000000 21.6340000 20.9700000 20.9670000
274 274 1 0.0000000 20.4570000 2.7200000 11.7840000
275 275 1 0.0000000 4.3450000 15.9260000 15.6130000
276 276 1 0.0000000 18.5090000 3.3140000 1.1410000
277 277 1 0.0000000 0.4070000 15.7920000 11.2970000
278 278 1 0.0000000 13.3440000 8.1980000 4.5520000
279 279 1 0.0000000 8.5380000 21.6840000 3.2560000
280 280 1 0.0000000 2.2890000 0.7680000 11.6890000
281 281 1 0.0000000 21.5990000 18.8900000 6.4050000
282 282 1 0.0000000 14.9140000 7.5570000 8.8670000
283 283 1 0.0000000 21.3690000 18.6450000 21.2590000
284 284 1 0.0000000 10.9470000 5.8950000 10.8840000
285 285 1 0.0000000 2.6280000 15.7990000 6.4350000
286 286 1 0.0000000 11.9940000 15.1200000 20.8540000
287 287 1 0.0000000 16.6450000 10.2270000 10.9850000
288 288 1 0.0000000 13.0310000 2.8900000 9.3200000
289 289 1 0.0000000 12.4260000 19.8280000 13.6940000
290 290 1 0.0000000 19.8890000 19.6500000 17.8410000
291 291 1 0.0000000 4.0230000 9.6810000 4.2830000
292 292 1 0.0000000 2.6590000 21.3600000 4.2810000
293 293 1 0.0000000 6.4930000 3.2770000 9.0110000
294 294 1 0.0000000 21.3560000 20.3330000 10.0560000
295 295 1 0.0000000 14.3030000 20.6610000 0.9740000
296 296 1 0.0000000 4.4890000 8.4620000 0.4180000
297 297 1 0.0000000 6.5630000 7.5730000 11.8490000
298 298 1 0.0000000 3.4090000 1.4420000 13.6640000
299 299 1 0.0000000 15.6340000 1.9640000 5.3770000
300 300 1 0.0000000 11.9210000 0.8170000 9.6710000
301 301 1 0.0000000 20.9660000 9.2330000 20.1270000
302 302 1 0.0000000 1.6280000 6.2090000 8.4340000
303 303 1 0.0000000 0.5530000 9.8060000 7.0560000
304 304 1 0.0000000 11.5710000 18.9280000 8.9830000
305 305 1 0.0000000 4.2490000 7.9910000 14.8160000
306 306 1 0.0000000 19.7300000 12.4900000 7.6500000
307 307 1 0.0000000 10.8450000 14.1880000 9.0020000
308 308 1 0.0000000 10.8070000 11.1620000 10.2560000
309 309 1 0.0000000 4.7040000 8.6980000 12.6030000
310 310 1 0.0000000 3.7570000 12.0590000 6.5220000
311 311 1 0.0000000 9.7910000 2.9010000 7.6620000
312 312 1 0.0000000 3.7810000 14.0810000 5.2770000
313 313 1 0.0000000 4.0640000 19.1000000 1.8260000
314 314 1 0.0000000 21.7520000 10.6160000 14.7710000
315 315 1 0.0000000 1.3090000 11.5200000 16.3780000
316 316 1 0.0000000 5.1840000 20.6560000 0.4260000
317 317 1 0.0000000 10.7630000 2.3920000 17.0100000
318 318 1 0.0000000 4.7970000 15.9920000 1.2450000
319 319 1 0.0000000 11.1370000 0.4590000 11.8330000
320 320 1 0.0000000 14.5870000 13.6170000 1.1610000
321 321 1 0.0000000 9.8660000 0.7940000 8.6450000
322 322 1 0.0000000 17.7650000 19.2430000 7.2990000
323 323 1 0.0000000 6.0610000 1.2430000 19.3000000
324 324 1 0.0000000 18.2200000 12.8760000 13.2170000
325 325 1 0.0000000 18.0460000 13.1700000 9.1450000
326 326 1 0.0000000 3.3530000 3.3130000 15.2040000
327 327 1 0.0000000 10.4090000 19.4890000 16.3660000
328 328 1 0.0000000 15.6710000 1.1260000 19.9260000
329 329 1 0.0000000 10.8900000 7.3650000 7.1060000
330 330 1 0.0000000 13.4480000 20.2870000 5.0130000
331 331 1 0.0000000 16.0530000 0.3050000 0.2340000
332 332 1 0.0000000 9.8430000 17.8410000 14.6670000
333 333 1 0.0000000 13.0150000 10.2370000 1.1400000
334 334 1 0.0000000 4.2090000 16.6330000 8.0040000
335 335 1 0.0000000 4.5530000 4.3630000 11.8090000
336 336 1 0.0000000 12.4370000 18.2310000 5.4180000
337 337 1 0.0000000 4.6660000 4.4220000 5.9770000
338 338 1 0.0000000 9.5670000 9.6790000 2.7600000
339 339 1 0.0000000 17.6640000 17.0250000 16.2770000
340 340 1 0.0000000 20.3640000 13.8280000 13.4210000
341 341 1 0.0000000 10.0140000 7.4130000 9.2700000
342 342 1 0.0000000 2.1350000 7.0370000 14.8450000
343 343 1 0.0000000 10.1280000 17.9060000 5.2690000
344 344 1 0.0000000 9.9640000 11.7180000 21.3790000
345 345 1 0.0000000 3.9300000 18.4910000 10.9740000
346 346 1 0.0000000 4.4370000 0.9780000 3.9700000
347 347 1 0.0000000 3.3540000 11.6180000 13.2880000
348 348 1 0.0000000 10.1490000 8.5100000 18.7440000
349 349 1 0.0000000 20.0030000 12.0850000 0.6000000
350 350 1 0.0000000 8.1370000 7.5880000 17.8300000
351 351 1 0.0000000 4.9940000 4.9580000 9.5900000
352 352 1 0.0000000 5.3170000 14.3610000 19.8350000
353 353 1 0.0000000 9.3030000 10.0320000 5.0540000
354 354 1 0.0000000 15.9060000 19.0210000 11.2850000
355 355 1 0.0000000 4.7750000 3.1100000 20.1740000
356 356 1 0.0000000 12.3120000 9.1080000 6.4970000
357 357 1 0.0000000 10.4810000 4.6620000 17.6350000
358 358 1 0.0000000 4.7080000 13.6970000 16.3300000
359 359 1 0.0000000 12.2970000 5.5490000 6.5760000
360 360 1 0.0000000 17.9900000 5.6590000 1.9370000
361 361 1 0.0000000 15.7760000 13.0220000 8.3090000
362 362 1 0.0000000 17.0960000 9.8020000 6.8980000
363 363 1 0.0000000 14.4040000 20.5780000 7.1330000
364 364 1 0.0000000 10.5700000 7.4740000 12.5610000
365 365 1 0.0000000 7.1880000 17.4800000 12.1560000
366 366 1 0.0000000 19.2640000 6.6050000 0.0900000
367 367 1 0.0000000 2.4860000 20.3860000 7.9620000
368 368 1 0.0000000 1.6540000 17.4650000 21.0330000
369 369 1 0.0000000 0.8570000 14.9180000 7.7750000
370 370 1 0.0000000 15.6360000 3.0200000 12.0780000
371 371 1 0.0000000 20.9520000 6.0750000 16.1620000
372 372 1 0.0000000 6.5150000 10.9720000 15.0530000
373 373 1 0.0000000 1.6150000 2.1220000 0.1040000
374 374 1 0.0000000 12.4880000 14.7040000 1.3780000
375 375 1 0.0000000 1.8720000 14.8200000 18.2130000
376 376 1 0.0000000 1.3840000 6.3060000 16.9560000
377 377 1 0.0000000 13.1420000 8.3550000 21.5020000
378 378 1 0.0000000 10.3950000 19.1540000 12.7720000
379 379 1 0.0000000 18.9350000 15.8660000 19.2180000
380 380 1 0.0000000 19.6110000 0.3890000 20.4600000
381 381 1 0.0000000 1.6460000 14.9430000 1.9780000
382 382 1 0.0000000 16.9420000 8.7780000 9.0500000
383 383 1 0.0000000 15.0770000 11.3050000 19.7190000
384 384 1 0.0000000 6.2370000 17.3890000 15.8170000
385 385 1 0.0000000 14.6890000 16.8390000 8.2540000
386 386 1 0.0000000 5.9660000 6.4540000 15.1720000
387 387 1 0.0000000 6.1100000 4.8320000 21.2820000
388 388 1 0.0000000 5.9710000 14.6570000 4.7110000
389 389 1 0.0000000 3.1780000 19.7080000 5.8410000
390 390 1 0.0000000 5.7600000 19.5340000 14.8080000
391 391 1 0.0000000 18.1190000 11.5110000 15.1550000
392 392 1 0.0000000 17.0450000 3.0230000 19.5700000
393 393 1 0.0000000 11.7520000 21.8180000 19.7610000
394 394 1 0.0000000 15.5870000 18.5610000 6.9700000
395 395 1 0.0000000 6.0680000 8.8370000 18.0920000
396 396 1 0.0000000 14.2730000 18.8060000 21.1250000
397 397 1 0.0000000 14.8640000 7.7480000 18.0510000
398 398 1 0.0000000 7.1970000 14.3360000 8.4160000
399 399 1 0.0000000 12.4080000 8.9750000 12.3640000
400 400 1 0.0000000 15.7690000 0.5910000 7.2330000
401 401 1 0.0000000 14.1880000 18.6730000 16.7170000
402 402 1 0.0000000 0.1070000 17.0650000 14.8780000
403 403 1 0.0000000 1.2690000 21.0730000 19.1580000
404 404 1 0.0000000 8.3320000 15.5390000 0.1550000
405 405 1 0.0000000 3.4890000 20.2250000 18.9410000
406 406 1 0.0000000 16.7760000 7.8120000 16.6050000
407 407 1 0.0000000 0.5070000 4.7570000 5.2510000
408 408 1 0.0000000 19.1810000 3.0200000 9.7780000
409 409 1 0.0000000 4.7160000 9.7900000 16.3110000
410 410 1 0.0000000 2.4040000 18.9600000 12.6390000
411 411 1 0.0000000 3.3380000 4.6500000 7.9680000
412 412 1 0.0000000 17.7990000 4.9620000 9.4940000
413 413 1 0.0000000 12.7390000 16.3390000 11.5840000
414 414 1 0.0000000 17.5550000 6.7730000 20.3200000
415 415 1 0.0000000 14.1770000 9.8840000 3.2060000
416 416 1 0.0000000 14.4790000 10.5810000 15.6890000
417 417 1 0.0000000 14.7570000 21.0200000 10.8010000
418 418 1 0.0000000 19.6820000 0.5930000 12.8140000
419 419 1 0.0000000 8.6600000 0.3420000 21.6710000
420 420 1 0.0000000 9.6300000 4.0130000 11.4620000
421 421 1 0.0000000 21.1990000 7.8220000 3.8780000
422 422 1 0.0000000 1.0220000 15.3220000 20.3160000
423 423 1 0.0000000 19.5230000 9.5210000 18.2400000
424 424 1 0.0000000 6.0420000 4.8470000 1.8140000
425 425 1 0.0000000 19.0970000 2.7310000 20.7130000
426 426 1 0.0000000 20.7220000 12.9310000 18.9570000
427 427 1 0.0000000 12.0420000 5.2830000 19.3670000
428 428 1 0.0000000 12.3510000 14.1340000 10.8070000
429 429 1 0.0000000 0.6760000 0.6980000 4.6080000
430 430 1 0.0000000 17.9010000 21.6070000 7.6530000
431 431 1 0.0000000 12.9910000 4.6940000 10.9090000
432 432 1 0.0000000 4.1650000 0.3790000 10.2450000
433 433 1 0.0000000 11.0350000 2.5880000 2.7230000
434 434 1 0.0000000 0.8260000 16.8030000 9.2410000
435 435 1 0.0000000 1.2930000 1.5320000 19.6910000
436 436 1 0.0000000 3.6360000 0.6300000 7.9720000
437 437 1 0.0000000 18.7690000 21.6650000 18.3160000
438 438 1 0.0000000 15.9900000 1.2130000 10.5660000
439 439 1 0.0000000 3.6880000 0.2170000 17.3680000
440 440 1 0.0000000 15.4550000 13.7970000 16.7760000
441 441 1 0.0000000 13.6260000 0.3920000 16.0690000
442 442 1 0.0000000 2.2090000 7.7760000 18.5900000
443 443 1 0.0000000 7.5390000 1.2670000 1.6990000
444 444 1 0.0000000 5.8870000 7.1350000 20.9610000
445 445 1 0.0000000 3.5460000 9.4970000 8.9750000
446 446 1 0.0000000 1.7030000 10.1450000 12.4300000
447 447 1 0.0000000 4.5220000 7.2320000 19.0140000
448 448 1 0.0000000 12.0790000 18.5320000 17.7390000
449 449 1 0.0000000 11.8150000 12.7440000 20.4040000
450 450 1 0.0000000 14.1450000 16.3300000 20.6400000
451 451 1 0.0000000 13.9790000 11.9100000 13.7820000
452 452 1 0.0000000 5.7860000 9.0870000 8.2180000
453 453 1 0.0000000 5.7610000 18.5920000 3.4730000
454 454 1 0.0000000 17.1860000 12.2100000 20.2580000
455 455 1 0.0000000 19.9590000 17.8190000 5.1360000
456 456 1 0.0000000 17.0590000 15.4900000 5.5810000
457 457 1 0.0000000 3.6710000 3.1920000 4.2290000
458 458 1 0.0000000 9.3110000 4.4320000 0.2320000
459 459 1 0.0000000 7.2900000 10.5480000 9.3640000
460 460 1 0.0000000 3.1990000 11.3340000 19.5640000
461 461 1 0.0000000 18.7960000 19.0310000 15.8960000
462 462 1 0.0000000 16.4530000 21.1730000 18.6370000
463 463 1 0.0000000 19.0360000 1.4790000 16.6070000
464 464 1 0.0000000 15.1190000 6.7220000 5.0610000
465 465 1 0.0000000 14.6980000 6.3460000 10.8900000
466 466 1 0.0000000 9.5270000 15.6660000 5.6890000
467 467 1 0.0000000 9.8670000 0.7250000 18.4290000
468 468 1 0.0000000 3.5070000 11.8220000 15.5670000
469 469 1 0.0000000 5.2170000 0.8530000 1.6550000
470 470 1 0.0000000 14.2830000 11.9310000 17.5860000
471 471 1 0.0000000 21.4650000 11.2840000 8.7140000
472 472 1 0.0000000 0.2700000 13.5140000 17.1240000
473 473 1 0.0000000 8.7330000 20.7300000 17.4130000
474 474 1 0.0000000 7.4140000 12.9760000 3.8660000
475 475 1 0.0000000 8.5520000 8.7210000 12.3480000
476 476 1 0.0000000 7.4770000 9.7280000 1.7090000
477 477 1 0.0000000 16.9200000 14.6800000 20.0740000
478 478 1 0.0000000 6.5920000 20.9910000 6.6400000
479 479 1 0.0000000 18.3870000 7.4290000 18.2380000
480 480 1 0.0000000 21.2320000 15.1360000 2.5810000
481 481 1 0.0000000 16.7390000 8.6780000 21.4380000
482 482 1 0.0000000 18.2260000 6.2380000 5.6140000
483 483 1 0.0000000 12.7550000 3.5820000 20.8720000
484 484 1 0.0000000 14.8870000 9.0010000 20.0300000
485 485 1 0.0000000 6.1970000 16.3000000 3.0880000
486 486 1 0.0000000 6.9450000 13.1810000 15.8140000
487 487 1 0.0000000 20.1770000 18.7700000 1.5020000
488 488 1 0.0000000 19.8750000 14.4220000 0.7710000
489 489 1 0.0000000 13.0770000 5.0280000 14.9330000
490 490 1 0.0000000 10.9540000 0.5380000 0.0170000
491 491 1 0.0000000 0.3310000 3.0520000 18.1720000
492 492 1 0.0000000 8.8200000 14.8310000 10.0110000
493 493 1 0.0000000 6.9570000 20.3870000 8.9230000
494 494 1 0.0000000 21.4900000 6.8560000 12.0490000
495 495 1 0.0000000 8.1550000 13.1990000 21.7210000
496 496 1 0.0000000 2.1970000 4.5290000 11.8290000
497 497 1 0.0000000 14.2880000 5.5560000 18.5960000
498 498 1 0.0000000 15.0910000 15.4110000 18.5470000
499 499 1 0.0000000 18.9760000 15.1930000 16.8970000
500 500 1 0.0000000 19.4100000 5.3490000 17.7540000
501 501 1 0.0000000 0.5430000 8.3990000 13.7700000
502 502 1 0.0000000 18.0770000 19.1690000 4.8770000
503 503 1 0.0000000 3.3760000 17.8650000 19.2940000
504 504 1 0.0000000 16.3760000 0.5870000 3.6340000
505 505 1 0.0000000 10.4990000 18.5190000 21.1770000
506 506 1 0.0000000 15.7320000 12.7570000 3.0200000
507 507 1 0.0000000 16.9190000 8.1780000 5.2430000
508 508 1 0.0000000 6.9450000 7.4210000 6.8040000
509 509 1 0.0000000 11.6120000 21.2610000 15.3620000
510 510 1 0.0000000 18.0500000 0.6840000 14.5470000
511 511 1 0.0000000 20.4340000 4.0240000 4.2040000
512 512 1 0.0000000 18.0190000 10.7210000 0.2160000

238
examples/PACKAGES/phonon/dynamical_matrix_command/Silicon/lmp_bank/silicon_216.lmp Normal file
View File

@ -0,0 +1,238 @@
LAMMPS description
216 atoms
0 bonds
0 angles
0 dihedrals
0 impropers
1 atom types
0 bond types
0 angle types
0 dihedral types
0 improper types
0.0000000 16.293000 xlo xhi
0.0000000 16.293000 ylo yhi
0.0000000 16.293000 zlo zhi
Atoms
1 1 1 0.0000000 0.0000000 0.0000000 0.0000000
2 2 1 0.0000000 0.0000000 2.7160000 2.7160000
3 3 1 0.0000000 2.7160000 2.7160000 0.0000000
4 4 1 0.0000000 2.7160000 0.0000000 2.7160000
5 5 1 0.0000000 4.0730000 1.3580000 4.0730000
6 6 1 0.0000000 1.3580000 1.3580000 1.3580000
7 7 1 0.0000000 1.3580000 4.0730000 4.0730000
8 8 1 0.0000000 4.0730000 4.0730000 1.3580000
9 9 1 0.0000000 0.0000000 0.0000000 5.4310000
10 10 1 0.0000000 0.0000000 2.7160000 8.1460000
11 11 1 0.0000000 2.7160000 2.7160000 5.4310000
12 12 1 0.0000000 2.7160000 0.0000000 8.1460000
13 13 1 0.0000000 4.0730000 1.3580000 9.5040000
14 14 1 0.0000000 1.3580000 1.3580000 6.7890000
15 15 1 0.0000000 1.3580000 4.0730000 9.5040000
16 16 1 0.0000000 4.0730000 4.0730000 6.7890000
17 17 1 0.0000000 0.0000000 0.0000000 10.8620000
18 18 1 0.0000000 0.0000000 2.7160000 13.5780000
19 19 1 0.0000000 2.7160000 2.7160000 10.8620000
20 20 1 0.0000000 2.7160000 0.0000000 13.5780000
21 21 1 0.0000000 4.0730000 1.3580000 14.9350000
22 22 1 0.0000000 1.3580000 1.3580000 12.2200000
23 23 1 0.0000000 1.3580000 4.0730000 14.9350000
24 24 1 0.0000000 4.0730000 4.0730000 12.2200000
25 25 1 0.0000000 0.0000000 5.4310000 0.0000000
26 26 1 0.0000000 0.0000000 8.1460000 2.7160000
27 27 1 0.0000000 2.7160000 8.1460000 0.0000000
28 28 1 0.0000000 2.7160000 5.4310000 2.7160000
29 29 1 0.0000000 4.0730000 6.7890000 4.0730000
30 30 1 0.0000000 1.3580000 6.7890000 1.3580000
31 31 1 0.0000000 1.3580000 9.5040000 4.0730000
32 32 1 0.0000000 4.0730000 9.5040000 1.3580000
33 33 1 0.0000000 0.0000000 5.4310000 5.4310000
34 34 1 0.0000000 0.0000000 8.1460000 8.1460000
35 35 1 0.0000000 2.7160000 8.1460000 5.4310000
36 36 1 0.0000000 2.7160000 5.4310000 8.1460000
37 37 1 0.0000000 4.0730000 6.7890000 9.5040000
38 38 1 0.0000000 1.3580000 6.7890000 6.7890000
39 39 1 0.0000000 1.3580000 9.5040000 9.5040000
40 40 1 0.0000000 4.0730000 9.5040000 6.7890000
41 41 1 0.0000000 0.0000000 5.4310000 10.8620000
42 42 1 0.0000000 0.0000000 8.1460000 13.5780000
43 43 1 0.0000000 2.7160000 8.1460000 10.8620000
44 44 1 0.0000000 2.7160000 5.4310000 13.5780000
45 45 1 0.0000000 4.0730000 6.7890000 14.9350000
46 46 1 0.0000000 1.3580000 6.7890000 12.2200000
47 47 1 0.0000000 1.3580000 9.5040000 14.9350000
48 48 1 0.0000000 4.0730000 9.5040000 12.2200000
49 49 1 0.0000000 0.0000000 10.8620000 0.0000000
50 50 1 0.0000000 0.0000000 13.5780000 2.7160000
51 51 1 0.0000000 2.7160000 13.5780000 0.0000000
52 52 1 0.0000000 2.7160000 10.8620000 2.7160000
53 53 1 0.0000000 4.0730000 12.2200000 4.0730000
54 54 1 0.0000000 1.3580000 12.2200000 1.3580000
55 55 1 0.0000000 1.3580000 14.9350000 4.0730000
56 56 1 0.0000000 4.0730000 14.9350000 1.3580000
57 57 1 0.0000000 0.0000000 10.8620000 5.4310000
58 58 1 0.0000000 0.0000000 13.5780000 8.1460000
59 59 1 0.0000000 2.7160000 13.5780000 5.4310000
60 60 1 0.0000000 2.7160000 10.8620000 8.1460000
61 61 1 0.0000000 4.0730000 12.2200000 9.5040000
62 62 1 0.0000000 1.3580000 12.2200000 6.7890000
63 63 1 0.0000000 1.3580000 14.9350000 9.5040000
64 64 1 0.0000000 4.0730000 14.9350000 6.7890000
65 65 1 0.0000000 0.0000000 10.8620000 10.8620000
66 66 1 0.0000000 0.0000000 13.5780000 13.5780000
67 67 1 0.0000000 2.7160000 13.5780000 10.8620000
68 68 1 0.0000000 2.7160000 10.8620000 13.5780000
69 69 1 0.0000000 4.0730000 12.2200000 14.9350000
70 70 1 0.0000000 1.3580000 12.2200000 12.2200000
71 71 1 0.0000000 1.3580000 14.9350000 14.9350000
72 72 1 0.0000000 4.0730000 14.9350000 12.2200000
73 73 1 0.0000000 5.4310000 0.0000000 0.0000000
74 74 1 0.0000000 5.4310000 2.7160000 2.7160000
75 75 1 0.0000000 8.1460000 2.7160000 0.0000000
76 76 1 0.0000000 8.1460000 0.0000000 2.7160000
77 77 1 0.0000000 9.5040000 1.3580000 4.0730000
78 78 1 0.0000000 6.7890000 1.3580000 1.3580000
79 79 1 0.0000000 6.7890000 4.0730000 4.0730000
80 80 1 0.0000000 9.5040000 4.0730000 1.3580000
81 81 1 0.0000000 5.4310000 0.0000000 5.4310000
82 82 1 0.0000000 5.4310000 2.7160000 8.1460000
83 83 1 0.0000000 8.1460000 2.7160000 5.4310000
84 84 1 0.0000000 8.1460000 0.0000000 8.1460000
85 85 1 0.0000000 9.5040000 1.3580000 9.5040000
86 86 1 0.0000000 6.7890000 1.3580000 6.7890000
87 87 1 0.0000000 6.7890000 4.0730000 9.5040000
88 88 1 0.0000000 9.5040000 4.0730000 6.7890000
89 89 1 0.0000000 5.4310000 0.0000000 10.8620000
90 90 1 0.0000000 5.4310000 2.7160000 13.5780000
91 91 1 0.0000000 8.1460000 2.7160000 10.8620000
92 92 1 0.0000000 8.1460000 0.0000000 13.5780000
93 93 1 0.0000000 9.5040000 1.3580000 14.9350000
94 94 1 0.0000000 6.7890000 1.3580000 12.2200000
95 95 1 0.0000000 6.7890000 4.0730000 14.9350000
96 96 1 0.0000000 9.5040000 4.0730000 12.2200000
97 97 1 0.0000000 5.4310000 5.4310000 0.0000000
98 98 1 0.0000000 5.4310000 8.1460000 2.7160000
99 99 1 0.0000000 8.1460000 8.1460000 0.0000000
100 100 1 0.0000000 8.1460000 5.4310000 2.7160000
101 101 1 0.0000000 9.5040000 6.7890000 4.0730000
102 102 1 0.0000000 6.7890000 6.7890000 1.3580000
103 103 1 0.0000000 6.7890000 9.5040000 4.0730000
104 104 1 0.0000000 9.5040000 9.5040000 1.3580000
105 105 1 0.0000000 5.4310000 5.4310000 5.4310000
106 106 1 0.0000000 5.4310000 8.1460000 8.1460000
107 107 1 0.0000000 8.1460000 8.1460000 5.4310000
108 108 1 0.0000000 8.1460000 5.4310000 8.1460000
109 109 1 0.0000000 9.5040000 6.7890000 9.5040000
110 110 1 0.0000000 6.7890000 6.7890000 6.7890000
111 111 1 0.0000000 6.7890000 9.5040000 9.5040000
112 112 1 0.0000000 9.5040000 9.5040000 6.7890000
113 113 1 0.0000000 5.4310000 5.4310000 10.8620000
114 114 1 0.0000000 5.4310000 8.1460000 13.5780000
115 115 1 0.0000000 8.1460000 8.1460000 10.8620000
116 116 1 0.0000000 8.1460000 5.4310000 13.5780000
117 117 1 0.0000000 9.5040000 6.7890000 14.9350000
118 118 1 0.0000000 6.7890000 6.7890000 12.2200000
119 119 1 0.0000000 6.7890000 9.5040000 14.9350000
120 120 1 0.0000000 9.5040000 9.5040000 12.2200000
121 121 1 0.0000000 5.4310000 10.8620000 0.0000000
122 122 1 0.0000000 5.4310000 13.5780000 2.7160000
123 123 1 0.0000000 8.1460000 13.5780000 0.0000000
124 124 1 0.0000000 8.1460000 10.8620000 2.7160000
125 125 1 0.0000000 9.5040000 12.2200000 4.0730000
126 126 1 0.0000000 6.7890000 12.2200000 1.3580000
127 127 1 0.0000000 6.7890000 14.9350000 4.0730000
128 128 1 0.0000000 9.5040000 14.9350000 1.3580000
129 129 1 0.0000000 5.4310000 10.8620000 5.4310000
130 130 1 0.0000000 5.4310000 13.5780000 8.1460000
131 131 1 0.0000000 8.1460000 13.5780000 5.4310000
132 132 1 0.0000000 8.1460000 10.8620000 8.1460000
133 133 1 0.0000000 9.5040000 12.2200000 9.5040000
134 134 1 0.0000000 6.7890000 12.2200000 6.7890000
135 135 1 0.0000000 6.7890000 14.9350000 9.5040000
136 136 1 0.0000000 9.5040000 14.9350000 6.7890000
137 137 1 0.0000000 5.4310000 10.8620000 10.8620000
138 138 1 0.0000000 5.4310000 13.5780000 13.5780000
139 139 1 0.0000000 8.1460000 13.5780000 10.8620000
140 140 1 0.0000000 8.1460000 10.8620000 13.5780000
141 141 1 0.0000000 9.5040000 12.2200000 14.9350000
142 142 1 0.0000000 6.7890000 12.2200000 12.2200000
143 143 1 0.0000000 6.7890000 14.9350000 14.9350000
144 144 1 0.0000000 9.5040000 14.9350000 12.2200000
145 145 1 0.0000000 10.8620000 0.0000000 0.0000000
146 146 1 0.0000000 10.8620000 2.7160000 2.7160000
147 147 1 0.0000000 13.5780000 2.7160000 0.0000000
148 148 1 0.0000000 13.5780000 0.0000000 2.7160000
149 149 1 0.0000000 14.9350000 1.3580000 4.0730000
150 150 1 0.0000000 12.2200000 1.3580000 1.3580000
151 151 1 0.0000000 12.2200000 4.0730000 4.0730000
152 152 1 0.0000000 14.9350000 4.0730000 1.3580000
153 153 1 0.0000000 10.8620000 0.0000000 5.4310000
154 154 1 0.0000000 10.8620000 2.7160000 8.1460000
155 155 1 0.0000000 13.5780000 2.7160000 5.4310000
156 156 1 0.0000000 13.5780000 0.0000000 8.1460000
157 157 1 0.0000000 14.9350000 1.3580000 9.5040000
158 158 1 0.0000000 12.2200000 1.3580000 6.7890000
159 159 1 0.0000000 12.2200000 4.0730000 9.5040000
160 160 1 0.0000000 14.9350000 4.0730000 6.7890000
161 161 1 0.0000000 10.8620000 0.0000000 10.8620000
162 162 1 0.0000000 10.8620000 2.7160000 13.5780000
163 163 1 0.0000000 13.5780000 2.7160000 10.8620000
164 164 1 0.0000000 13.5780000 0.0000000 13.5780000
165 165 1 0.0000000 14.9350000 1.3580000 14.9350000
166 166 1 0.0000000 12.2200000 1.3580000 12.2200000
167 167 1 0.0000000 12.2200000 4.0730000 14.9350000
168 168 1 0.0000000 14.9350000 4.0730000 12.2200000
169 169 1 0.0000000 10.8620000 5.4310000 0.0000000
170 170 1 0.0000000 10.8620000 8.1460000 2.7160000
171 171 1 0.0000000 13.5780000 8.1460000 0.0000000
172 172 1 0.0000000 13.5780000 5.4310000 2.7160000
173 173 1 0.0000000 14.9350000 6.7890000 4.0730000
174 174 1 0.0000000 12.2200000 6.7890000 1.3580000
175 175 1 0.0000000 12.2200000 9.5040000 4.0730000
176 176 1 0.0000000 14.9350000 9.5040000 1.3580000
177 177 1 0.0000000 10.8620000 5.4310000 5.4310000
178 178 1 0.0000000 10.8620000 8.1460000 8.1460000
179 179 1 0.0000000 13.5780000 8.1460000 5.4310000
180 180 1 0.0000000 13.5780000 5.4310000 8.1460000
181 181 1 0.0000000 14.9350000 6.7890000 9.5040000
182 182 1 0.0000000 12.2200000 6.7890000 6.7890000
183 183 1 0.0000000 12.2200000 9.5040000 9.5040000
184 184 1 0.0000000 14.9350000 9.5040000 6.7890000
185 185 1 0.0000000 10.8620000 5.4310000 10.8620000
186 186 1 0.0000000 10.8620000 8.1460000 13.5780000
187 187 1 0.0000000 13.5780000 8.1460000 10.8620000
188 188 1 0.0000000 13.5780000 5.4310000 13.5780000
189 189 1 0.0000000 14.9350000 6.7890000 14.9350000
190 190 1 0.0000000 12.2200000 6.7890000 12.2200000
191 191 1 0.0000000 12.2200000 9.5040000 14.9350000
192 192 1 0.0000000 14.9350000 9.5040000 12.2200000
193 193 1 0.0000000 10.8620000 10.8620000 0.0000000
194 194 1 0.0000000 10.8620000 13.5780000 2.7160000
195 195 1 0.0000000 13.5780000 13.5780000 0.0000000
196 196 1 0.0000000 13.5780000 10.8620000 2.7160000
197 197 1 0.0000000 14.9350000 12.2200000 4.0730000
198 198 1 0.0000000 12.2200000 12.2200000 1.3580000
199 199 1 0.0000000 12.2200000 14.9350000 4.0730000
200 200 1 0.0000000 14.9350000 14.9350000 1.3580000
201 201 1 0.0000000 10.8620000 10.8620000 5.4310000
202 202 1 0.0000000 10.8620000 13.5780000 8.1460000
203 203 1 0.0000000 13.5780000 13.5780000 5.4310000
204 204 1 0.0000000 13.5780000 10.8620000 8.1460000
205 205 1 0.0000000 14.9350000 12.2200000 9.5040000
206 206 1 0.0000000 12.2200000 12.2200000 6.7890000
207 207 1 0.0000000 12.2200000 14.9350000 9.5040000
208 208 1 0.0000000 14.9350000 14.9350000 6.7890000
209 209 1 0.0000000 10.8620000 10.8620000 10.8620000
210 210 1 0.0000000 10.8620000 13.5780000 13.5780000
211 211 1 0.0000000 13.5780000 13.5780000 10.8620000
212 212 1 0.0000000 13.5780000 10.8620000 13.5780000
213 213 1 0.0000000 14.9350000 12.2200000 14.9350000
214 214 1 0.0000000 12.2200000 12.2200000 12.2200000
215 215 1 0.0000000 12.2200000 14.9350000 14.9350000
216 216 1 0.0000000 14.9350000 14.9350000 12.2200000

534
examples/PACKAGES/phonon/dynamical_matrix_command/Silicon/lmp_bank/silicon_512.lmp Normal file
View File

@ -0,0 +1,534 @@
LAMMPS description
512 atoms
0 bonds
0 angles
0 dihedrals
0 impropers
1 atom types
0 bond types
0 angle types
0 dihedral types
0 improper types
0.0000000 21.724000 xlo xhi
0.0000000 21.724000 ylo yhi
0.0000000 21.724000 zlo zhi
Atoms
1 1 1 0.0000000 0.0000000 0.0000000 0.0000000
2 2 1 0.0000000 0.0000000 2.7150000 2.7150000
3 3 1 0.0000000 2.7150000 2.7150000 0.0000000
4 4 1 0.0000000 2.7150000 0.0000000 2.7150000
5 5 1 0.0000000 4.0730000 1.3580000 4.0730000
6 6 1 0.0000000 1.3580000 1.3580000 1.3580000
7 7 1 0.0000000 1.3580000 4.0730000 4.0730000
8 8 1 0.0000000 4.0730000 4.0730000 1.3580000
9 9 1 0.0000000 0.0000000 0.0000000 5.4310000
10 10 1 0.0000000 0.0000000 2.7150000 8.1460000
11 11 1 0.0000000 2.7150000 2.7150000 5.4310000
12 12 1 0.0000000 2.7150000 0.0000000 8.1460000
13 13 1 0.0000000 4.0730000 1.3580000 9.5040000
14 14 1 0.0000000 1.3580000 1.3580000 6.7890000
15 15 1 0.0000000 1.3580000 4.0730000 9.5040000
16 16 1 0.0000000 4.0730000 4.0730000 6.7890000
17 17 1 0.0000000 0.0000000 0.0000000 10.8620000
18 18 1 0.0000000 0.0000000 2.7150000 13.5770000
19 19 1 0.0000000 2.7150000 2.7150000 10.8620000
20 20 1 0.0000000 2.7150000 0.0000000 13.5770000
21 21 1 0.0000000 4.0730000 1.3580000 14.9350000
22 22 1 0.0000000 1.3580000 1.3580000 12.2200000
23 23 1 0.0000000 1.3580000 4.0730000 14.9350000
24 24 1 0.0000000 4.0730000 4.0730000 12.2200000
25 25 1 0.0000000 0.0000000 0.0000000 16.2930000
26 26 1 0.0000000 0.0000000 2.7150000 19.0080000
27 27 1 0.0000000 2.7150000 2.7150000 16.2930000
28 28 1 0.0000000 2.7150000 0.0000000 19.0080000
29 29 1 0.0000000 4.0730000 1.3580000 20.3660000
30 30 1 0.0000000 1.3580000 1.3580000 17.6510000
31 31 1 0.0000000 1.3580000 4.0730000 20.3660000
32 32 1 0.0000000 4.0730000 4.0730000 17.6510000
33 33 1 0.0000000 0.0000000 5.4310000 0.0000000
34 34 1 0.0000000 0.0000000 8.1460000 2.7150000
35 35 1 0.0000000 2.7150000 8.1460000 0.0000000
36 36 1 0.0000000 2.7150000 5.4310000 2.7150000
37 37 1 0.0000000 4.0730000 6.7890000 4.0730000
38 38 1 0.0000000 1.3580000 6.7890000 1.3580000
39 39 1 0.0000000 1.3580000 9.5040000 4.0730000
40 40 1 0.0000000 4.0730000 9.5040000 1.3580000
41 41 1 0.0000000 0.0000000 5.4310000 5.4310000
42 42 1 0.0000000 0.0000000 8.1460000 8.1460000
43 43 1 0.0000000 2.7150000 8.1460000 5.4310000
44 44 1 0.0000000 2.7150000 5.4310000 8.1460000
45 45 1 0.0000000 4.0730000 6.7890000 9.5040000
46 46 1 0.0000000 1.3580000 6.7890000 6.7890000
47 47 1 0.0000000 1.3580000 9.5040000 9.5040000
48 48 1 0.0000000 4.0730000 9.5040000 6.7890000
49 49 1 0.0000000 0.0000000 5.4310000 10.8620000
50 50 1 0.0000000 0.0000000 8.1460000 13.5770000
51 51 1 0.0000000 2.7150000 8.1460000 10.8620000
52 52 1 0.0000000 2.7150000 5.4310000 13.5770000
53 53 1 0.0000000 4.0730000 6.7890000 14.9350000
54 54 1 0.0000000 1.3580000 6.7890000 12.2200000
55 55 1 0.0000000 1.3580000 9.5040000 14.9350000
56 56 1 0.0000000 4.0730000 9.5040000 12.2200000
57 57 1 0.0000000 0.0000000 5.4310000 16.2930000
58 58 1 0.0000000 0.0000000 8.1460000 19.0080000
59 59 1 0.0000000 2.7150000 8.1460000 16.2930000
60 60 1 0.0000000 2.7150000 5.4310000 19.0080000
61 61 1 0.0000000 4.0730000 6.7890000 20.3660000
62 62 1 0.0000000 1.3580000 6.7890000 17.6510000
63 63 1 0.0000000 1.3580000 9.5040000 20.3660000
64 64 1 0.0000000 4.0730000 9.5040000 17.6510000
65 65 1 0.0000000 0.0000000 10.8620000 0.0000000
66 66 1 0.0000000 0.0000000 13.5770000 2.7150000
67 67 1 0.0000000 2.7150000 13.5770000 0.0000000
68 68 1 0.0000000 2.7150000 10.8620000 2.7150000
69 69 1 0.0000000 4.0730000 12.2200000 4.0730000
70 70 1 0.0000000 1.3580000 12.2200000 1.3580000
71 71 1 0.0000000 1.3580000 14.9350000 4.0730000
72 72 1 0.0000000 4.0730000 14.9350000 1.3580000
73 73 1 0.0000000 0.0000000 10.8620000 5.4310000
74 74 1 0.0000000 0.0000000 13.5770000 8.1460000
75 75 1 0.0000000 2.7150000 13.5770000 5.4310000
76 76 1 0.0000000 2.7150000 10.8620000 8.1460000
77 77 1 0.0000000 4.0730000 12.2200000 9.5040000
78 78 1 0.0000000 1.3580000 12.2200000 6.7890000
79 79 1 0.0000000 1.3580000 14.9350000 9.5040000
80 80 1 0.0000000 4.0730000 14.9350000 6.7890000
81 81 1 0.0000000 0.0000000 10.8620000 10.8620000
82 82 1 0.0000000 0.0000000 13.5770000 13.5770000
83 83 1 0.0000000 2.7150000 13.5770000 10.8620000
84 84 1 0.0000000 2.7150000 10.8620000 13.5770000
85 85 1 0.0000000 4.0730000 12.2200000 14.9350000
86 86 1 0.0000000 1.3580000 12.2200000 12.2200000
87 87 1 0.0000000 1.3580000 14.9350000 14.9350000
88 88 1 0.0000000 4.0730000 14.9350000 12.2200000
89 89 1 0.0000000 0.0000000 10.8620000 16.2930000
90 90 1 0.0000000 0.0000000 13.5770000 19.0080000
91 91 1 0.0000000 2.7150000 13.5770000 16.2930000
92 92 1 0.0000000 2.7150000 10.8620000 19.0080000
93 93 1 0.0000000 4.0730000 12.2200000 20.3660000
94 94 1 0.0000000 1.3580000 12.2200000 17.6510000
95 95 1 0.0000000 1.3580000 14.9350000 20.3660000
96 96 1 0.0000000 4.0730000 14.9350000 17.6510000
97 97 1 0.0000000 0.0000000 16.2930000 0.0000000
98 98 1 0.0000000 0.0000000 19.0080000 2.7150000
99 99 1 0.0000000 2.7150000 19.0080000 0.0000000
100 100 1 0.0000000 2.7150000 16.2930000 2.7150000
101 101 1 0.0000000 4.0730000 17.6510000 4.0730000
102 102 1 0.0000000 1.3580000 17.6510000 1.3580000
103 103 1 0.0000000 1.3580000 20.3660000 4.0730000
104 104 1 0.0000000 4.0730000 20.3660000 1.3580000
105 105 1 0.0000000 0.0000000 16.2930000 5.4310000
106 106 1 0.0000000 0.0000000 19.0080000 8.1460000
107 107 1 0.0000000 2.7150000 19.0080000 5.4310000
108 108 1 0.0000000 2.7150000 16.2930000 8.1460000
109 109 1 0.0000000 4.0730000 17.6510000 9.5040000
110 110 1 0.0000000 1.3580000 17.6510000 6.7890000
111 111 1 0.0000000 1.3580000 20.3660000 9.5040000
112 112 1 0.0000000 4.0730000 20.3660000 6.7890000
113 113 1 0.0000000 0.0000000 16.2930000 10.8620000
114 114 1 0.0000000 0.0000000 19.0080000 13.5770000
115 115 1 0.0000000 2.7150000 19.0080000 10.8620000
116 116 1 0.0000000 2.7150000 16.2930000 13.5770000
117 117 1 0.0000000 4.0730000 17.6510000 14.9350000
118 118 1 0.0000000 1.3580000 17.6510000 12.2200000
119 119 1 0.0000000 1.3580000 20.3660000 14.9350000
120 120 1 0.0000000 4.0730000 20.3660000 12.2200000
121 121 1 0.0000000 0.0000000 16.2930000 16.2930000
122 122 1 0.0000000 0.0000000 19.0080000 19.0080000
123 123 1 0.0000000 2.7150000 19.0080000 16.2930000
124 124 1 0.0000000 2.7150000 16.2930000 19.0080000
125 125 1 0.0000000 4.0730000 17.6510000 20.3660000
126 126 1 0.0000000 1.3580000 17.6510000 17.6510000
127 127 1 0.0000000 1.3580000 20.3660000 20.3660000
128 128 1 0.0000000 4.0730000 20.3660000 17.6510000
129 129 1 0.0000000 5.4310000 0.0000000 0.0000000
130 130 1 0.0000000 5.4310000 2.7150000 2.7150000
131 131 1 0.0000000 8.1460000 2.7150000 0.0000000
132 132 1 0.0000000 8.1460000 0.0000000 2.7150000
133 133 1 0.0000000 9.5040000 1.3580000 4.0730000
134 134 1 0.0000000 6.7890000 1.3580000 1.3580000
135 135 1 0.0000000 6.7890000 4.0730000 4.0730000
136 136 1 0.0000000 9.5040000 4.0730000 1.3580000
137 137 1 0.0000000 5.4310000 0.0000000 5.4310000
138 138 1 0.0000000 5.4310000 2.7150000 8.1460000
139 139 1 0.0000000 8.1460000 2.7150000 5.4310000
140 140 1 0.0000000 8.1460000 0.0000000 8.1460000
141 141 1 0.0000000 9.5040000 1.3580000 9.5040000
142 142 1 0.0000000 6.7890000 1.3580000 6.7890000
143 143 1 0.0000000 6.7890000 4.0730000 9.5040000
144 144 1 0.0000000 9.5040000 4.0730000 6.7890000
145 145 1 0.0000000 5.4310000 0.0000000 10.8620000
146 146 1 0.0000000 5.4310000 2.7150000 13.5770000
147 147 1 0.0000000 8.1460000 2.7150000 10.8620000
148 148 1 0.0000000 8.1460000 0.0000000 13.5770000
149 149 1 0.0000000 9.5040000 1.3580000 14.9350000
150 150 1 0.0000000 6.7890000 1.3580000 12.2200000
151 151 1 0.0000000 6.7890000 4.0730000 14.9350000
152 152 1 0.0000000 9.5040000 4.0730000 12.2200000
153 153 1 0.0000000 5.4310000 0.0000000 16.2930000
154 154 1 0.0000000 5.4310000 2.7150000 19.0080000
155 155 1 0.0000000 8.1460000 2.7150000 16.2930000
156 156 1 0.0000000 8.1460000 0.0000000 19.0080000
157 157 1 0.0000000 9.5040000 1.3580000 20.3660000
158 158 1 0.0000000 6.7890000 1.3580000 17.6510000
159 159 1 0.0000000 6.7890000 4.0730000 20.3660000
160 160 1 0.0000000 9.5040000 4.0730000 17.6510000
161 161 1 0.0000000 5.4310000 5.4310000 0.0000000
162 162 1 0.0000000 5.4310000 8.1460000 2.7150000
163 163 1 0.0000000 8.1460000 8.1460000 0.0000000
164 164 1 0.0000000 8.1460000 5.4310000 2.7150000
165 165 1 0.0000000 9.5040000 6.7890000 4.0730000
166 166 1 0.0000000 6.7890000 6.7890000 1.3580000
167 167 1 0.0000000 6.7890000 9.5040000 4.0730000
168 168 1 0.0000000 9.5040000 9.5040000 1.3580000
169 169 1 0.0000000 5.4310000 5.4310000 5.4310000
170 170 1 0.0000000 5.4310000 8.1460000 8.1460000
171 171 1 0.0000000 8.1460000 8.1460000 5.4310000
172 172 1 0.0000000 8.1460000 5.4310000 8.1460000
173 173 1 0.0000000 9.5040000 6.7890000 9.5040000
174 174 1 0.0000000 6.7890000 6.7890000 6.7890000
175 175 1 0.0000000 6.7890000 9.5040000 9.5040000
176 176 1 0.0000000 9.5040000 9.5040000 6.7890000
177 177 1 0.0000000 5.4310000 5.4310000 10.8620000
178 178 1 0.0000000 5.4310000 8.1460000 13.5770000
179 179 1 0.0000000 8.1460000 8.1460000 10.8620000
180 180 1 0.0000000 8.1460000 5.4310000 13.5770000
181 181 1 0.0000000 9.5040000 6.7890000 14.9350000
182 182 1 0.0000000 6.7890000 6.7890000 12.2200000
183 183 1 0.0000000 6.7890000 9.5040000 14.9350000
184 184 1 0.0000000 9.5040000 9.5040000 12.2200000
185 185 1 0.0000000 5.4310000 5.4310000 16.2930000
186 186 1 0.0000000 5.4310000 8.1460000 19.0080000
187 187 1 0.0000000 8.1460000 8.1460000 16.2930000
188 188 1 0.0000000 8.1460000 5.4310000 19.0080000
189 189 1 0.0000000 9.5040000 6.7890000 20.3660000
190 190 1 0.0000000 6.7890000 6.7890000 17.6510000
191 191 1 0.0000000 6.7890000 9.5040000 20.3660000
192 192 1 0.0000000 9.5040000 9.5040000 17.6510000
193 193 1 0.0000000 5.4310000 10.8620000 0.0000000
194 194 1 0.0000000 5.4310000 13.5770000 2.7150000
195 195 1 0.0000000 8.1460000 13.5770000 0.0000000
196 196 1 0.0000000 8.1460000 10.8620000 2.7150000
197 197 1 0.0000000 9.5040000 12.2200000 4.0730000
198 198 1 0.0000000 6.7890000 12.2200000 1.3580000
199 199 1 0.0000000 6.7890000 14.9350000 4.0730000
200 200 1 0.0000000 9.5040000 14.9350000 1.3580000
201 201 1 0.0000000 5.4310000 10.8620000 5.4310000
202 202 1 0.0000000 5.4310000 13.5770000 8.1460000
203 203 1 0.0000000 8.1460000 13.5770000 5.4310000
204 204 1 0.0000000 8.1460000 10.8620000 8.1460000
205 205 1 0.0000000 9.5040000 12.2200000 9.5040000
206 206 1 0.0000000 6.7890000 12.2200000 6.7890000
207 207 1 0.0000000 6.7890000 14.9350000 9.5040000
208 208 1 0.0000000 9.5040000 14.9350000 6.7890000
209 209 1 0.0000000 5.4310000 10.8620000 10.8620000
210 210 1 0.0000000 5.4310000 13.5770000 13.5770000
211 211 1 0.0000000 8.1460000 13.5770000 10.8620000
212 212 1 0.0000000 8.1460000 10.8620000 13.5770000
213 213 1 0.0000000 9.5040000 12.2200000 14.9350000
214 214 1 0.0000000 6.7890000 12.2200000 12.2200000
215 215 1 0.0000000 6.7890000 14.9350000 14.9350000
216 216 1 0.0000000 9.5040000 14.9350000 12.2200000
217 217 1 0.0000000 5.4310000 10.8620000 16.2930000
218 218 1 0.0000000 5.4310000 13.5770000 19.0080000
219 219 1 0.0000000 8.1460000 13.5770000 16.2930000
220 220 1 0.0000000 8.1460000 10.8620000 19.0080000
221 221 1 0.0000000 9.5040000 12.2200000 20.3660000
222 222 1 0.0000000 6.7890000 12.2200000 17.6510000
223 223 1 0.0000000 6.7890000 14.9350000 20.3660000
224 224 1 0.0000000 9.5040000 14.9350000 17.6510000
225 225 1 0.0000000 5.4310000 16.2930000 0.0000000
226 226 1 0.0000000 5.4310000 19.0080000 2.7150000
227 227 1 0.0000000 8.1460000 19.0080000 0.0000000
228 228 1 0.0000000 8.1460000 16.2930000 2.7150000
229 229 1 0.0000000 9.5040000 17.6510000 4.0730000
230 230 1 0.0000000 6.7890000 17.6510000 1.3580000
231 231 1 0.0000000 6.7890000 20.3660000 4.0730000
232 232 1 0.0000000 9.5040000 20.3660000 1.3580000
233 233 1 0.0000000 5.4310000 16.2930000 5.4310000
234 234 1 0.0000000 5.4310000 19.0080000 8.1460000
235 235 1 0.0000000 8.1460000 19.0080000 5.4310000
236 236 1 0.0000000 8.1460000 16.2930000 8.1460000
237 237 1 0.0000000 9.5040000 17.6510000 9.5040000
238 238 1 0.0000000 6.7890000 17.6510000 6.7890000
239 239 1 0.0000000 6.7890000 20.3660000 9.5040000
240 240 1 0.0000000 9.5040000 20.3660000 6.7890000
241 241 1 0.0000000 5.4310000 16.2930000 10.8620000
242 242 1 0.0000000 5.4310000 19.0080000 13.5770000
243 243 1 0.0000000 8.1460000 19.0080000 10.8620000
244 244 1 0.0000000 8.1460000 16.2930000 13.5770000
245 245 1 0.0000000 9.5040000 17.6510000 14.9350000
246 246 1 0.0000000 6.7890000 17.6510000 12.2200000
247 247 1 0.0000000 6.7890000 20.3660000 14.9350000
248 248 1 0.0000000 9.5040000 20.3660000 12.2200000
249 249 1 0.0000000 5.4310000 16.2930000 16.2930000
250 250 1 0.0000000 5.4310000 19.0080000 19.0080000
251 251 1 0.0000000 8.1460000 19.0080000 16.2930000
252 252 1 0.0000000 8.1460000 16.2930000 19.0080000
253 253 1 0.0000000 9.5040000 17.6510000 20.3660000
254 254 1 0.0000000 6.7890000 17.6510000 17.6510000
255 255 1 0.0000000 6.7890000 20.3660000 20.3660000
256 256 1 0.0000000 9.5040000 20.3660000 17.6510000
257 257 1 0.0000000 10.8620000 0.0000000 0.0000000
258 258 1 0.0000000 10.8620000 2.7150000 2.7150000
259 259 1 0.0000000 13.5770000 2.7150000 0.0000000
260 260 1 0.0000000 13.5770000 0.0000000 2.7150000
261 261 1 0.0000000 14.9350000 1.3580000 4.0730000
262 262 1 0.0000000 12.2200000 1.3580000 1.3580000
263 263 1 0.0000000 12.2200000 4.0730000 4.0730000
264 264 1 0.0000000 14.9350000 4.0730000 1.3580000
265 265 1 0.0000000 10.8620000 0.0000000 5.4310000
266 266 1 0.0000000 10.8620000 2.7150000 8.1460000
267 267 1 0.0000000 13.5770000 2.7150000 5.4310000
268 268 1 0.0000000 13.5770000 0.0000000 8.1460000
269 269 1 0.0000000 14.9350000 1.3580000 9.5040000
270 270 1 0.0000000 12.2200000 1.3580000 6.7890000
271 271 1 0.0000000 12.2200000 4.0730000 9.5040000
272 272 1 0.0000000 14.9350000 4.0730000 6.7890000
273 273 1 0.0000000 10.8620000 0.0000000 10.8620000
274 274 1 0.0000000 10.8620000 2.7150000 13.5770000
275 275 1 0.0000000 13.5770000 2.7150000 10.8620000
276 276 1 0.0000000 13.5770000 0.0000000 13.5770000
277 277 1 0.0000000 14.9350000 1.3580000 14.9350000
278 278 1 0.0000000 12.2200000 1.3580000 12.2200000
279 279 1 0.0000000 12.2200000 4.0730000 14.9350000
280 280 1 0.0000000 14.9350000 4.0730000 12.2200000
281 281 1 0.0000000 10.8620000 0.0000000 16.2930000
282 282 1 0.0000000 10.8620000 2.7150000 19.0080000
283 283 1 0.0000000 13.5770000 2.7150000 16.2930000
284 284 1 0.0000000 13.5770000 0.0000000 19.0080000
285 285 1 0.0000000 14.9350000 1.3580000 20.3660000
286 286 1 0.0000000 12.2200000 1.3580000 17.6510000
287 287 1 0.0000000 12.2200000 4.0730000 20.3660000
288 288 1 0.0000000 14.9350000 4.0730000 17.6510000
289 289 1 0.0000000 10.8620000 5.4310000 0.0000000
290 290 1 0.0000000 10.8620000 8.1460000 2.7150000
291 291 1 0.0000000 13.5770000 8.1460000 0.0000000
292 292 1 0.0000000 13.5770000 5.4310000 2.7150000
293 293 1 0.0000000 14.9350000 6.7890000 4.0730000
294 294 1 0.0000000 12.2200000 6.7890000 1.3580000
295 295 1 0.0000000 12.2200000 9.5040000 4.0730000
296 296 1 0.0000000 14.9350000 9.5040000 1.3580000
297 297 1 0.0000000 10.8620000 5.4310000 5.4310000
298 298 1 0.0000000 10.8620000 8.1460000 8.1460000
299 299 1 0.0000000 13.5770000 8.1460000 5.4310000
300 300 1 0.0000000 13.5770000 5.4310000 8.1460000
301 301 1 0.0000000 14.9350000 6.7890000 9.5040000
302 302 1 0.0000000 12.2200000 6.7890000 6.7890000
303 303 1 0.0000000 12.2200000 9.5040000 9.5040000
304 304 1 0.0000000 14.9350000 9.5040000 6.7890000
305 305 1 0.0000000 10.8620000 5.4310000 10.8620000
306 306 1 0.0000000 10.8620000 8.1460000 13.5770000
307 307 1 0.0000000 13.5770000 8.1460000 10.8620000
308 308 1 0.0000000 13.5770000 5.4310000 13.5770000
309 309 1 0.0000000 14.9350000 6.7890000 14.9350000
310 310 1 0.0000000 12.2200000 6.7890000 12.2200000
311 311 1 0.0000000 12.2200000 9.5040000 14.9350000
312 312 1 0.0000000 14.9350000 9.5040000 12.2200000
313 313 1 0.0000000 10.8620000 5.4310000 16.2930000
314 314 1 0.0000000 10.8620000 8.1460000 19.0080000
315 315 1 0.0000000 13.5770000 8.1460000 16.2930000
316 316 1 0.0000000 13.5770000 5.4310000 19.0080000
317 317 1 0.0000000 14.9350000 6.7890000 20.3660000
318 318 1 0.0000000 12.2200000 6.7890000 17.6510000
319 319 1 0.0000000 12.2200000 9.5040000 20.3660000
320 320 1 0.0000000 14.9350000 9.5040000 17.6510000
321 321 1 0.0000000 10.8620000 10.8620000 0.0000000
322 322 1 0.0000000 10.8620000 13.5770000 2.7150000
323 323 1 0.0000000 13.5770000 13.5770000 0.0000000
324 324 1 0.0000000 13.5770000 10.8620000 2.7150000
325 325 1 0.0000000 14.9350000 12.2200000 4.0730000
326 326 1 0.0000000 12.2200000 12.2200000 1.3580000
327 327 1 0.0000000 12.2200000 14.9350000 4.0730000
328 328 1 0.0000000 14.9350000 14.9350000 1.3580000
329 329 1 0.0000000 10.8620000 10.8620000 5.4310000
330 330 1 0.0000000 10.8620000 13.5770000 8.1460000
331 331 1 0.0000000 13.5770000 13.5770000 5.4310000
332 332 1 0.0000000 13.5770000 10.8620000 8.1460000
333 333 1 0.0000000 14.9350000 12.2200000 9.5040000
334 334 1 0.0000000 12.2200000 12.2200000 6.7890000
335 335 1 0.0000000 12.2200000 14.9350000 9.5040000
336 336 1 0.0000000 14.9350000 14.9350000 6.7890000
337 337 1 0.0000000 10.8620000 10.8620000 10.8620000
338 338 1 0.0000000 10.8620000 13.5770000 13.5770000
339 339 1 0.0000000 13.5770000 13.5770000 10.8620000
340 340 1 0.0000000 13.5770000 10.8620000 13.5770000
341 341 1 0.0000000 14.9350000 12.2200000 14.9350000
342 342 1 0.0000000 12.2200000 12.2200000 12.2200000
343 343 1 0.0000000 12.2200000 14.9350000 14.9350000
344 344 1 0.0000000 14.9350000 14.9350000 12.2200000
345 345 1 0.0000000 10.8620000 10.8620000 16.2930000
346 346 1 0.0000000 10.8620000 13.5770000 19.0080000
347 347 1 0.0000000 13.5770000 13.5770000 16.2930000
348 348 1 0.0000000 13.5770000 10.8620000 19.0080000
349 349 1 0.0000000 14.9350000 12.2200000 20.3660000
350 350 1 0.0000000 12.2200000 12.2200000 17.6510000
351 351 1 0.0000000 12.2200000 14.9350000 20.3660000
352 352 1 0.0000000 14.9350000 14.9350000 17.6510000
353 353 1 0.0000000 10.8620000 16.2930000 0.0000000
354 354 1 0.0000000 10.8620000 19.0080000 2.7150000
355 355 1 0.0000000 13.5770000 19.0080000 0.0000000
356 356 1 0.0000000 13.5770000 16.2930000 2.7150000
357 357 1 0.0000000 14.9350000 17.6510000 4.0730000
358 358 1 0.0000000 12.2200000 17.6510000 1.3580000
359 359 1 0.0000000 12.2200000 20.3660000 4.0730000
360 360 1 0.0000000 14.9350000 20.3660000 1.3580000
361 361 1 0.0000000 10.8620000 16.2930000 5.4310000
362 362 1 0.0000000 10.8620000 19.0080000 8.1460000
363 363 1 0.0000000 13.5770000 19.0080000 5.4310000
364 364 1 0.0000000 13.5770000 16.2930000 8.1460000
365 365 1 0.0000000 14.9350000 17.6510000 9.5040000
366 366 1 0.0000000 12.2200000 17.6510000 6.7890000
367 367 1 0.0000000 12.2200000 20.3660000 9.5040000
368 368 1 0.0000000 14.9350000 20.3660000 6.7890000
369 369 1 0.0000000 10.8620000 16.2930000 10.8620000
370 370 1 0.0000000 10.8620000 19.0080000 13.5770000
371 371 1 0.0000000 13.5770000 19.0080000 10.8620000
372 372 1 0.0000000 13.5770000 16.2930000 13.5770000
373 373 1 0.0000000 14.9350000 17.6510000 14.9350000
374 374 1 0.0000000 12.2200000 17.6510000 12.2200000
375 375 1 0.0000000 12.2200000 20.3660000 14.9350000
376 376 1 0.0000000 14.9350000 20.3660000 12.2200000
377 377 1 0.0000000 10.8620000 16.2930000 16.2930000
378 378 1 0.0000000 10.8620000 19.0080000 19.0080000
379 379 1 0.0000000 13.5770000 19.0080000 16.2930000
380 380 1 0.0000000 13.5770000 16.2930000 19.0080000
381 381 1 0.0000000 14.9350000 17.6510000 20.3660000
382 382 1 0.0000000 12.2200000 17.6510000 17.6510000
383 383 1 0.0000000 12.2200000 20.3660000 20.3660000
384 384 1 0.0000000 14.9350000 20.3660000 17.6510000
385 385 1 0.0000000 16.2930000 0.0000000 0.0000000
386 386 1 0.0000000 16.2930000 2.7150000 2.7150000
387 387 1 0.0000000 19.0080000 2.7150000 0.0000000
388 388 1 0.0000000 19.0080000 0.0000000 2.7150000
389 389 1 0.0000000 20.3660000 1.3580000 4.0730000
390 390 1 0.0000000 17.6510000 1.3580000 1.3580000
391 391 1 0.0000000 17.6510000 4.0730000 4.0730000
392 392 1 0.0000000 20.3660000 4.0730000 1.3580000
393 393 1 0.0000000 16.2930000 0.0000000 5.4310000
394 394 1 0.0000000 16.2930000 2.7150000 8.1460000
395 395 1 0.0000000 19.0080000 2.7150000 5.4310000
396 396 1 0.0000000 19.0080000 0.0000000 8.1460000
397 397 1 0.0000000 20.3660000 1.3580000 9.5040000
398 398 1 0.0000000 17.6510000 1.3580000 6.7890000
399 399 1 0.0000000 17.6510000 4.0730000 9.5040000
400 400 1 0.0000000 20.3660000 4.0730000 6.7890000
401 401 1 0.0000000 16.2930000 0.0000000 10.8620000
402 402 1 0.0000000 16.2930000 2.7150000 13.5770000
403 403 1 0.0000000 19.0080000 2.7150000 10.8620000
404 404 1 0.0000000 19.0080000 0.0000000 13.5770000
405 405 1 0.0000000 20.3660000 1.3580000 14.9350000
406 406 1 0.0000000 17.6510000 1.3580000 12.2200000
407 407 1 0.0000000 17.6510000 4.0730000 14.9350000
408 408 1 0.0000000 20.3660000 4.0730000 12.2200000
409 409 1 0.0000000 16.2930000 0.0000000 16.2930000
410 410 1 0.0000000 16.2930000 2.7150000 19.0080000
411 411 1 0.0000000 19.0080000 2.7150000 16.2930000
412 412 1 0.0000000 19.0080000 0.0000000 19.0080000
413 413 1 0.0000000 20.3660000 1.3580000 20.3660000
414 414 1 0.0000000 17.6510000 1.3580000 17.6510000
415 415 1 0.0000000 17.6510000 4.0730000 20.3660000
416 416 1 0.0000000 20.3660000 4.0730000 17.6510000
417 417 1 0.0000000 16.2930000 5.4310000 0.0000000
418 418 1 0.0000000 16.2930000 8.1460000 2.7150000
419 419 1 0.0000000 19.0080000 8.1460000 0.0000000
420 420 1 0.0000000 19.0080000 5.4310000 2.7150000
421 421 1 0.0000000 20.3660000 6.7890000 4.0730000
422 422 1 0.0000000 17.6510000 6.7890000 1.3580000
423 423 1 0.0000000 17.6510000 9.5040000 4.0730000
424 424 1 0.0000000 20.3660000 9.5040000 1.3580000
425 425 1 0.0000000 16.2930000 5.4310000 5.4310000
426 426 1 0.0000000 16.2930000 8.1460000 8.1460000
427 427 1 0.0000000 19.0080000 8.1460000 5.4310000
428 428 1 0.0000000 19.0080000 5.4310000 8.1460000
429 429 1 0.0000000 20.3660000 6.7890000 9.5040000
430 430 1 0.0000000 17.6510000 6.7890000 6.7890000
431 431 1 0.0000000 17.6510000 9.5040000 9.5040000
432 432 1 0.0000000 20.3660000 9.5040000 6.7890000
433 433 1 0.0000000 16.2930000 5.4310000 10.8620000
434 434 1 0.0000000 16.2930000 8.1460000 13.5770000
435 435 1 0.0000000 19.0080000 8.1460000 10.8620000
436 436 1 0.0000000 19.0080000 5.4310000 13.5770000
437 437 1 0.0000000 20.3660000 6.7890000 14.9350000
438 438 1 0.0000000 17.6510000 6.7890000 12.2200000
439 439 1 0.0000000 17.6510000 9.5040000 14.9350000
440 440 1 0.0000000 20.3660000 9.5040000 12.2200000
441 441 1 0.0000000 16.2930000 5.4310000 16.2930000
442 442 1 0.0000000 16.2930000 8.1460000 19.0080000
443 443 1 0.0000000 19.0080000 8.1460000 16.2930000
444 444 1 0.0000000 19.0080000 5.4310000 19.0080000
445 445 1 0.0000000 20.3660000 6.7890000 20.3660000
446 446 1 0.0000000 17.6510000 6.7890000 17.6510000
447 447 1 0.0000000 17.6510000 9.5040000 20.3660000
448 448 1 0.0000000 20.3660000 9.5040000 17.6510000
449 449 1 0.0000000 16.2930000 10.8620000 0.0000000
450 450 1 0.0000000 16.2930000 13.5770000 2.7150000
451 451 1 0.0000000 19.0080000 13.5770000 0.0000000
452 452 1 0.0000000 19.0080000 10.8620000 2.7150000
453 453 1 0.0000000 20.3660000 12.2200000 4.0730000
454 454 1 0.0000000 17.6510000 12.2200000 1.3580000
455 455 1 0.0000000 17.6510000 14.9350000 4.0730000
456 456 1 0.0000000 20.3660000 14.9350000 1.3580000
457 457 1 0.0000000 16.2930000 10.8620000 5.4310000
458 458 1 0.0000000 16.2930000 13.5770000 8.1460000
459 459 1 0.0000000 19.0080000 13.5770000 5.4310000
460 460 1 0.0000000 19.0080000 10.8620000 8.1460000
461 461 1 0.0000000 20.3660000 12.2200000 9.5040000
462 462 1 0.0000000 17.6510000 12.2200000 6.7890000
463 463 1 0.0000000 17.6510000 14.9350000 9.5040000
464 464 1 0.0000000 20.3660000 14.9350000 6.7890000
465 465 1 0.0000000 16.2930000 10.8620000 10.8620000
466 466 1 0.0000000 16.2930000 13.5770000 13.5770000
467 467 1 0.0000000 19.0080000 13.5770000 10.8620000
468 468 1 0.0000000 19.0080000 10.8620000 13.5770000
469 469 1 0.0000000 20.3660000 12.2200000 14.9350000
470 470 1 0.0000000 17.6510000 12.2200000 12.2200000
471 471 1 0.0000000 17.6510000 14.9350000 14.9350000
472 472 1 0.0000000 20.3660000 14.9350000 12.2200000
473 473 1 0.0000000 16.2930000 10.8620000 16.2930000
474 474 1 0.0000000 16.2930000 13.5770000 19.0080000
475 475 1 0.0000000 19.0080000 13.5770000 16.2930000
476 476 1 0.0000000 19.0080000 10.8620000 19.0080000
477 477 1 0.0000000 20.3660000 12.2200000 20.3660000
478 478 1 0.0000000 17.6510000 12.2200000 17.6510000
479 479 1 0.0000000 17.6510000 14.9350000 20.3660000
480 480 1 0.0000000 20.3660000 14.9350000 17.6510000
481 481 1 0.0000000 16.2930000 16.2930000 0.0000000
482 482 1 0.0000000 16.2930000 19.0080000 2.7150000
483 483 1 0.0000000 19.0080000 19.0080000 0.0000000
484 484 1 0.0000000 19.0080000 16.2930000 2.7150000
485 485 1 0.0000000 20.3660000 17.6510000 4.0730000
486 486 1 0.0000000 17.6510000 17.6510000 1.3580000
487 487 1 0.0000000 17.6510000 20.3660000 4.0730000
488 488 1 0.0000000 20.3660000 20.3660000 1.3580000
489 489 1 0.0000000 16.2930000 16.2930000 5.4310000
490 490 1 0.0000000 16.2930000 19.0080000 8.1460000
491 491 1 0.0000000 19.0080000 19.0080000 5.4310000
492 492 1 0.0000000 19.0080000 16.2930000 8.1460000
493 493 1 0.0000000 20.3660000 17.6510000 9.5040000
494 494 1 0.0000000 17.6510000 17.6510000 6.7890000
495 495 1 0.0000000 17.6510000 20.3660000 9.5040000
496 496 1 0.0000000 20.3660000 20.3660000 6.7890000
497 497 1 0.0000000 16.2930000 16.2930000 10.8620000
498 498 1 0.0000000 16.2930000 19.0080000 13.5770000
499 499 1 0.0000000 19.0080000 19.0080000 10.8620000
500 500 1 0.0000000 19.0080000 16.2930000 13.5770000
501 501 1 0.0000000 20.3660000 17.6510000 14.9350000
502 502 1 0.0000000 17.6510000 17.6510000 12.2200000
503 503 1 0.0000000 17.6510000 20.3660000 14.9350000
504 504 1 0.0000000 20.3660000 20.3660000 12.2200000
505 505 1 0.0000000 16.2930000 16.2930000 16.2930000
506 506 1 0.0000000 16.2930000 19.0080000 19.0080000
507 507 1 0.0000000 19.0080000 19.0080000 16.2930000
508 508 1 0.0000000 19.0080000 16.2930000 19.0080000
509 509 1 0.0000000 20.3660000 17.6510000 20.3660000
510 510 1 0.0000000 17.6510000 17.6510000 17.6510000
511 511 1 0.0000000 17.6510000 20.3660000 20.3660000
512 512 1 0.0000000 20.3660000 20.3660000 17.6510000

29
examples/PACKAGES/phonon/dynamical_matrix_command/Silicon/lmp_bank/silicon_8.lmp Normal file
View File

@ -0,0 +1,29 @@
LAMMPS description
8 atoms
0 bonds
0 angles
0 dihedrals
0 impropers
1 atom types
0 bond types
0 angle types
0 dihedral types
0 improper types
0.0000000 5.4310000 xlo xhi
0.0000000 5.4310000 ylo yhi
0.0000000 5.4310000 zlo zhi
Atoms
1 1 1 0.0000000 0.0000000 0.0000000 0.0000000
2 2 1 0.0000000 1.3577500 1.3577500 1.3572000
3 3 1 0.0000000 2.7155000 2.7155000 0.0000000
4 4 1 0.0000000 4.0732500 4.0732500 1.3572000
5 5 1 0.0000000 2.7155000 0.0000000 2.7144000
6 6 1 0.0000000 4.0732500 1.3577500 4.0732500
7 7 1 0.0000000 0.0000000 2.7155000 2.7155000
8 8 1 0.0000000 1.3577500 4.0732500 4.0732500