Files
lammps/tools/eam_database/test/data.lmp
2022-02-14 21:29:51 +01:00

520 lines
12 KiB
Plaintext

LAMMPS data file via write_data, version 7 Jan 2022, timestep = 0
250 atoms
2 atom types
0 27 xlo xhi
0 27 ylo yhi
0 27 zlo zhi
Masses
1 1
2 1
Atoms # atomic
1 1 0 0 0 0 0 0
2 2 2.7 2.7 2.7 0 0 0
51 1 0 0 5.4 0 0 0
52 2 2.7 2.7 8.100000000000001 0 0 0
101 1 0 0 10.8 0 0 0
102 2 2.7 2.7 13.5 0 0 0
151 1 0 0 16.200000000000003 0 0 0
152 2 2.7 2.7 18.900000000000002 0 0 0
201 1 0 0 21.6 0 0 0
202 2 2.7 2.7 24.3 0 0 0
11 1 0 5.4 0 0 0 0
12 2 2.7 8.100000000000001 2.7 0 0 0
61 1 0 5.4 5.4 0 0 0
62 2 2.7 8.100000000000001 8.100000000000001 0 0 0
111 1 0 5.4 10.8 0 0 0
112 2 2.7 8.100000000000001 13.5 0 0 0
161 1 0 5.4 16.200000000000003 0 0 0
162 2 2.7 8.100000000000001 18.900000000000002 0 0 0
211 1 0 5.4 21.6 0 0 0
212 2 2.7 8.100000000000001 24.3 0 0 0
21 1 0 10.8 0 0 0 0
22 2 2.7 13.5 2.7 0 0 0
71 1 0 10.8 5.4 0 0 0
72 2 2.7 13.5 8.100000000000001 0 0 0
121 1 0 10.8 10.8 0 0 0
122 2 2.7 13.5 13.5 0 0 0
171 1 0 10.8 16.200000000000003 0 0 0
172 2 2.7 13.5 18.900000000000002 0 0 0
221 1 0 10.8 21.6 0 0 0
222 2 2.7 13.5 24.3 0 0 0
31 1 0 16.200000000000003 0 0 0 0
32 2 2.7 18.900000000000002 2.7 0 0 0
81 1 0 16.200000000000003 5.4 0 0 0
82 2 2.7 18.900000000000002 8.100000000000001 0 0 0
131 1 0 16.200000000000003 10.8 0 0 0
132 2 2.7 18.900000000000002 13.5 0 0 0
181 1 0 16.200000000000003 16.200000000000003 0 0 0
182 2 2.7 18.900000000000002 18.900000000000002 0 0 0
231 1 0 16.200000000000003 21.6 0 0 0
232 2 2.7 18.900000000000002 24.3 0 0 0
41 1 0 21.6 0 0 0 0
42 2 2.7 24.3 2.7 0 0 0
91 1 0 21.6 5.4 0 0 0
92 2 2.7 24.3 8.100000000000001 0 0 0
141 1 0 21.6 10.8 0 0 0
142 2 2.7 24.3 13.5 0 0 0
191 1 0 21.6 16.200000000000003 0 0 0
192 2 2.7 24.3 18.900000000000002 0 0 0
241 1 0 21.6 21.6 0 0 0
242 2 2.7 24.3 24.3 0 0 0
3 1 5.4 0 0 0 0 0
4 2 8.100000000000001 2.7 2.7 0 0 0
53 1 5.4 0 5.4 0 0 0
54 2 8.100000000000001 2.7 8.100000000000001 0 0 0
103 1 5.4 0 10.8 0 0 0
104 2 8.100000000000001 2.7 13.5 0 0 0
153 1 5.4 0 16.200000000000003 0 0 0
154 2 8.100000000000001 2.7 18.900000000000002 0 0 0
203 1 5.4 0 21.6 0 0 0
204 2 8.100000000000001 2.7 24.3 0 0 0
13 1 5.4 5.4 0 0 0 0
14 2 8.100000000000001 8.100000000000001 2.7 0 0 0
63 1 5.4 5.4 5.4 0 0 0
64 2 8.100000000000001 8.100000000000001 8.100000000000001 0 0 0
113 1 5.4 5.4 10.8 0 0 0
114 2 8.100000000000001 8.100000000000001 13.5 0 0 0
163 1 5.4 5.4 16.200000000000003 0 0 0
164 2 8.100000000000001 8.100000000000001 18.900000000000002 0 0 0
213 1 5.4 5.4 21.6 0 0 0
214 2 8.100000000000001 8.100000000000001 24.3 0 0 0
23 1 5.4 10.8 0 0 0 0
24 2 8.100000000000001 13.5 2.7 0 0 0
73 1 5.4 10.8 5.4 0 0 0
74 2 8.100000000000001 13.5 8.100000000000001 0 0 0
123 1 5.4 10.8 10.8 0 0 0
124 2 8.100000000000001 13.5 13.5 0 0 0
173 1 5.4 10.8 16.200000000000003 0 0 0
174 2 8.100000000000001 13.5 18.900000000000002 0 0 0
223 1 5.4 10.8 21.6 0 0 0
224 2 8.100000000000001 13.5 24.3 0 0 0
33 1 5.4 16.200000000000003 0 0 0 0
34 2 8.100000000000001 18.900000000000002 2.7 0 0 0
83 1 5.4 16.200000000000003 5.4 0 0 0
84 2 8.100000000000001 18.900000000000002 8.100000000000001 0 0 0
133 1 5.4 16.200000000000003 10.8 0 0 0
134 2 8.100000000000001 18.900000000000002 13.5 0 0 0
183 1 5.4 16.200000000000003 16.200000000000003 0 0 0
184 2 8.100000000000001 18.900000000000002 18.900000000000002 0 0 0
233 1 5.4 16.200000000000003 21.6 0 0 0
234 2 8.100000000000001 18.900000000000002 24.3 0 0 0
43 1 5.4 21.6 0 0 0 0
44 2 8.100000000000001 24.3 2.7 0 0 0
93 1 5.4 21.6 5.4 0 0 0
94 2 8.100000000000001 24.3 8.100000000000001 0 0 0
143 1 5.4 21.6 10.8 0 0 0
144 2 8.100000000000001 24.3 13.5 0 0 0
193 1 5.4 21.6 16.200000000000003 0 0 0
194 2 8.100000000000001 24.3 18.900000000000002 0 0 0
243 1 5.4 21.6 21.6 0 0 0
244 2 8.100000000000001 24.3 24.3 0 0 0
5 1 10.8 0 0 0 0 0
6 2 13.5 2.7 2.7 0 0 0
55 1 10.8 0 5.4 0 0 0
56 2 13.5 2.7 8.100000000000001 0 0 0
105 1 10.8 0 10.8 0 0 0
106 2 13.5 2.7 13.5 0 0 0
155 1 10.8 0 16.200000000000003 0 0 0
156 2 13.5 2.7 18.900000000000002 0 0 0
205 1 10.8 0 21.6 0 0 0
206 2 13.5 2.7 24.3 0 0 0
15 1 10.8 5.4 0 0 0 0
16 2 13.5 8.100000000000001 2.7 0 0 0
65 1 10.8 5.4 5.4 0 0 0
66 2 13.5 8.100000000000001 8.100000000000001 0 0 0
115 1 10.8 5.4 10.8 0 0 0
116 2 13.5 8.100000000000001 13.5 0 0 0
165 1 10.8 5.4 16.200000000000003 0 0 0
166 2 13.5 8.100000000000001 18.900000000000002 0 0 0
215 1 10.8 5.4 21.6 0 0 0
216 2 13.5 8.100000000000001 24.3 0 0 0
25 1 10.8 10.8 0 0 0 0
26 2 13.5 13.5 2.7 0 0 0
75 1 10.8 10.8 5.4 0 0 0
76 2 13.5 13.5 8.100000000000001 0 0 0
125 1 10.8 10.8 10.8 0 0 0
126 2 13.5 13.5 13.5 0 0 0
175 1 10.8 10.8 16.200000000000003 0 0 0
176 2 13.5 13.5 18.900000000000002 0 0 0
225 1 10.8 10.8 21.6 0 0 0
226 2 13.5 13.5 24.3 0 0 0
35 1 10.8 16.200000000000003 0 0 0 0
36 2 13.5 18.900000000000002 2.7 0 0 0
85 1 10.8 16.200000000000003 5.4 0 0 0
86 2 13.5 18.900000000000002 8.100000000000001 0 0 0
135 1 10.8 16.200000000000003 10.8 0 0 0
136 2 13.5 18.900000000000002 13.5 0 0 0
185 1 10.8 16.200000000000003 16.200000000000003 0 0 0
186 2 13.5 18.900000000000002 18.900000000000002 0 0 0
235 1 10.8 16.200000000000003 21.6 0 0 0
236 2 13.5 18.900000000000002 24.3 0 0 0
45 1 10.8 21.6 0 0 0 0
46 2 13.5 24.3 2.7 0 0 0
95 1 10.8 21.6 5.4 0 0 0
96 2 13.5 24.3 8.100000000000001 0 0 0
145 1 10.8 21.6 10.8 0 0 0
146 2 13.5 24.3 13.5 0 0 0
195 1 10.8 21.6 16.200000000000003 0 0 0
196 2 13.5 24.3 18.900000000000002 0 0 0
245 1 10.8 21.6 21.6 0 0 0
246 2 13.5 24.3 24.3 0 0 0
7 1 16.200000000000003 0 0 0 0 0
8 2 18.900000000000002 2.7 2.7 0 0 0
57 1 16.200000000000003 0 5.4 0 0 0
58 2 18.900000000000002 2.7 8.100000000000001 0 0 0
107 1 16.200000000000003 0 10.8 0 0 0
108 2 18.900000000000002 2.7 13.5 0 0 0
157 1 16.200000000000003 0 16.200000000000003 0 0 0
158 2 18.900000000000002 2.7 18.900000000000002 0 0 0
207 1 16.200000000000003 0 21.6 0 0 0
208 2 18.900000000000002 2.7 24.3 0 0 0
17 1 16.200000000000003 5.4 0 0 0 0
18 2 18.900000000000002 8.100000000000001 2.7 0 0 0
67 1 16.200000000000003 5.4 5.4 0 0 0
68 2 18.900000000000002 8.100000000000001 8.100000000000001 0 0 0
117 1 16.200000000000003 5.4 10.8 0 0 0
118 2 18.900000000000002 8.100000000000001 13.5 0 0 0
167 1 16.200000000000003 5.4 16.200000000000003 0 0 0
168 2 18.900000000000002 8.100000000000001 18.900000000000002 0 0 0
217 1 16.200000000000003 5.4 21.6 0 0 0
218 2 18.900000000000002 8.100000000000001 24.3 0 0 0
27 1 16.200000000000003 10.8 0 0 0 0
28 2 18.900000000000002 13.5 2.7 0 0 0
77 1 16.200000000000003 10.8 5.4 0 0 0
78 2 18.900000000000002 13.5 8.100000000000001 0 0 0
127 1 16.200000000000003 10.8 10.8 0 0 0
128 2 18.900000000000002 13.5 13.5 0 0 0
177 1 16.200000000000003 10.8 16.200000000000003 0 0 0
178 2 18.900000000000002 13.5 18.900000000000002 0 0 0
227 1 16.200000000000003 10.8 21.6 0 0 0
228 2 18.900000000000002 13.5 24.3 0 0 0
37 1 16.200000000000003 16.200000000000003 0 0 0 0
38 2 18.900000000000002 18.900000000000002 2.7 0 0 0
87 1 16.200000000000003 16.200000000000003 5.4 0 0 0
88 2 18.900000000000002 18.900000000000002 8.100000000000001 0 0 0
137 1 16.200000000000003 16.200000000000003 10.8 0 0 0
138 2 18.900000000000002 18.900000000000002 13.5 0 0 0
187 1 16.200000000000003 16.200000000000003 16.200000000000003 0 0 0
188 2 18.900000000000002 18.900000000000002 18.900000000000002 0 0 0
237 1 16.200000000000003 16.200000000000003 21.6 0 0 0
238 2 18.900000000000002 18.900000000000002 24.3 0 0 0
47 1 16.200000000000003 21.6 0 0 0 0
48 2 18.900000000000002 24.3 2.7 0 0 0
97 1 16.200000000000003 21.6 5.4 0 0 0
98 2 18.900000000000002 24.3 8.100000000000001 0 0 0
147 1 16.200000000000003 21.6 10.8 0 0 0
148 2 18.900000000000002 24.3 13.5 0 0 0
197 1 16.200000000000003 21.6 16.200000000000003 0 0 0
198 2 18.900000000000002 24.3 18.900000000000002 0 0 0
247 1 16.200000000000003 21.6 21.6 0 0 0
248 2 18.900000000000002 24.3 24.3 0 0 0
9 1 21.6 0 0 0 0 0
10 2 24.3 2.7 2.7 0 0 0
59 1 21.6 0 5.4 0 0 0
60 2 24.3 2.7 8.100000000000001 0 0 0
109 1 21.6 0 10.8 0 0 0
110 2 24.3 2.7 13.5 0 0 0
159 1 21.6 0 16.200000000000003 0 0 0
160 2 24.3 2.7 18.900000000000002 0 0 0
209 1 21.6 0 21.6 0 0 0
210 2 24.3 2.7 24.3 0 0 0
19 1 21.6 5.4 0 0 0 0
20 2 24.3 8.100000000000001 2.7 0 0 0
69 1 21.6 5.4 5.4 0 0 0
70 2 24.3 8.100000000000001 8.100000000000001 0 0 0
119 1 21.6 5.4 10.8 0 0 0
120 2 24.3 8.100000000000001 13.5 0 0 0
169 1 21.6 5.4 16.200000000000003 0 0 0
170 2 24.3 8.100000000000001 18.900000000000002 0 0 0
219 1 21.6 5.4 21.6 0 0 0
220 2 24.3 8.100000000000001 24.3 0 0 0
29 1 21.6 10.8 0 0 0 0
30 2 24.3 13.5 2.7 0 0 0
79 1 21.6 10.8 5.4 0 0 0
80 2 24.3 13.5 8.100000000000001 0 0 0
129 1 21.6 10.8 10.8 0 0 0
130 2 24.3 13.5 13.5 0 0 0
179 1 21.6 10.8 16.200000000000003 0 0 0
180 2 24.3 13.5 18.900000000000002 0 0 0
229 1 21.6 10.8 21.6 0 0 0
230 2 24.3 13.5 24.3 0 0 0
39 1 21.6 16.200000000000003 0 0 0 0
40 2 24.3 18.900000000000002 2.7 0 0 0
89 1 21.6 16.200000000000003 5.4 0 0 0
90 2 24.3 18.900000000000002 8.100000000000001 0 0 0
139 1 21.6 16.200000000000003 10.8 0 0 0
140 2 24.3 18.900000000000002 13.5 0 0 0
189 1 21.6 16.200000000000003 16.200000000000003 0 0 0
190 2 24.3 18.900000000000002 18.900000000000002 0 0 0
239 1 21.6 16.200000000000003 21.6 0 0 0
240 2 24.3 18.900000000000002 24.3 0 0 0
49 1 21.6 21.6 0 0 0 0
50 2 24.3 24.3 2.7 0 0 0
99 1 21.6 21.6 5.4 0 0 0
100 2 24.3 24.3 8.100000000000001 0 0 0
149 1 21.6 21.6 10.8 0 0 0
150 2 24.3 24.3 13.5 0 0 0
199 1 21.6 21.6 16.200000000000003 0 0 0
200 2 24.3 24.3 18.900000000000002 0 0 0
249 1 21.6 21.6 21.6 0 0 0
250 2 24.3 24.3 24.3 0 0 0
Velocities
1 0 0 0
2 0 0 0
51 0 0 0
52 0 0 0
101 0 0 0
102 0 0 0
151 0 0 0
152 0 0 0
201 0 0 0
202 0 0 0
11 0 0 0
12 0 0 0
61 0 0 0
62 0 0 0
111 0 0 0
112 0 0 0
161 0 0 0
162 0 0 0
211 0 0 0
212 0 0 0
21 0 0 0
22 0 0 0
71 0 0 0
72 0 0 0
121 0 0 0
122 0 0 0
171 0 0 0
172 0 0 0
221 0 0 0
222 0 0 0
31 0 0 0
32 0 0 0
81 0 0 0
82 0 0 0
131 0 0 0
132 0 0 0
181 0 0 0
182 0 0 0
231 0 0 0
232 0 0 0
41 0 0 0
42 0 0 0
91 0 0 0
92 0 0 0
141 0 0 0
142 0 0 0
191 0 0 0
192 0 0 0
241 0 0 0
242 0 0 0
3 0 0 0
4 0 0 0
53 0 0 0
54 0 0 0
103 0 0 0
104 0 0 0
153 0 0 0
154 0 0 0
203 0 0 0
204 0 0 0
13 0 0 0
14 0 0 0
63 0 0 0
64 0 0 0
113 0 0 0
114 0 0 0
163 0 0 0
164 0 0 0
213 0 0 0
214 0 0 0
23 0 0 0
24 0 0 0
73 0 0 0
74 0 0 0
123 0 0 0
124 0 0 0
173 0 0 0
174 0 0 0
223 0 0 0
224 0 0 0
33 0 0 0
34 0 0 0
83 0 0 0
84 0 0 0
133 0 0 0
134 0 0 0
183 0 0 0
184 0 0 0
233 0 0 0
234 0 0 0
43 0 0 0
44 0 0 0
93 0 0 0
94 0 0 0
143 0 0 0
144 0 0 0
193 0 0 0
194 0 0 0
243 0 0 0
244 0 0 0
5 0 0 0
6 0 0 0
55 0 0 0
56 0 0 0
105 0 0 0
106 0 0 0
155 0 0 0
156 0 0 0
205 0 0 0
206 0 0 0
15 0 0 0
16 0 0 0
65 0 0 0
66 0 0 0
115 0 0 0
116 0 0 0
165 0 0 0
166 0 0 0
215 0 0 0
216 0 0 0
25 0 0 0
26 0 0 0
75 0 0 0
76 0 0 0
125 0 0 0
126 0 0 0
175 0 0 0
176 0 0 0
225 0 0 0
226 0 0 0
35 0 0 0
36 0 0 0
85 0 0 0
86 0 0 0
135 0 0 0
136 0 0 0
185 0 0 0
186 0 0 0
235 0 0 0
236 0 0 0
45 0 0 0
46 0 0 0
95 0 0 0
96 0 0 0
145 0 0 0
146 0 0 0
195 0 0 0
196 0 0 0
245 0 0 0
246 0 0 0
7 0 0 0
8 0 0 0
57 0 0 0
58 0 0 0
107 0 0 0
108 0 0 0
157 0 0 0
158 0 0 0
207 0 0 0
208 0 0 0
17 0 0 0
18 0 0 0
67 0 0 0
68 0 0 0
117 0 0 0
118 0 0 0
167 0 0 0
168 0 0 0
217 0 0 0
218 0 0 0
27 0 0 0
28 0 0 0
77 0 0 0
78 0 0 0
127 0 0 0
128 0 0 0
177 0 0 0
178 0 0 0
227 0 0 0
228 0 0 0
37 0 0 0
38 0 0 0
87 0 0 0
88 0 0 0
137 0 0 0
138 0 0 0
187 0 0 0
188 0 0 0
237 0 0 0
238 0 0 0
47 0 0 0
48 0 0 0
97 0 0 0
98 0 0 0
147 0 0 0
148 0 0 0
197 0 0 0
198 0 0 0
247 0 0 0
248 0 0 0
9 0 0 0
10 0 0 0
59 0 0 0
60 0 0 0
109 0 0 0
110 0 0 0
159 0 0 0
160 0 0 0
209 0 0 0
210 0 0 0
19 0 0 0
20 0 0 0
69 0 0 0
70 0 0 0
119 0 0 0
120 0 0 0
169 0 0 0
170 0 0 0
219 0 0 0
220 0 0 0
29 0 0 0
30 0 0 0
79 0 0 0
80 0 0 0
129 0 0 0
130 0 0 0
179 0 0 0
180 0 0 0
229 0 0 0
230 0 0 0
39 0 0 0
40 0 0 0
89 0 0 0
90 0 0 0
139 0 0 0
140 0 0 0
189 0 0 0
190 0 0 0
239 0 0 0
240 0 0 0
49 0 0 0
50 0 0 0
99 0 0 0
100 0 0 0
149 0 0 0
150 0 0 0
199 0 0 0
200 0 0 0
249 0 0 0
250 0 0 0