Fe 110 sig3.txt

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This is the previously generated grain boundary file for use in Tutorial 6.


# Minimum Energy GB Structure for LAMMPS  

600 atoms 
2 atom types 
0.000000 6.994060 xlo xhi  
-123.994003 123.994003 ylo yhi  
0.000000 4.038020 zlo zhi  

Atoms 

1 1 5.479150 -110.221001 2.019010  
2 1 5.478960 -115.167999 2.019010  
3 1 4.313340 -113.516998 4.038020  
4 1 5.479050 -112.694000 2.019010  
5 1 3.147730 -111.869003 2.019010  
6 1 4.313440 -111.044998 4.038020  
7 1 1.982110 -110.221001 4.038020  
8 1 3.147820 -109.397003 2.019010  
9 1 5.478780 -120.133003 2.019010  
10 1 4.313160 -118.450996 4.038020  
11 1 5.478870 -117.644997 2.019010  
12 1 3.147550 -116.814003 2.019010  
13 1 4.313260 -115.987000 4.038020  
14 1 1.981930 -115.167999 4.038020  
15 1 3.147640 -114.341003 2.019010  
16 1 0.816320 -113.516998 2.019010  
17 1 1.982030 -112.694000 4.038020  
18 1 6.644760 -111.869003 4.038020  
19 1 0.816407 -111.044998 2.019010  
20 1 6.644850 -109.397003 4.038020  
21 1 4.313020 -123.250000 4.038020  
22 1 5.478680 -122.663002 2.019010  
23 1 3.147370 -121.774002 2.019010  
24 1 4.313070 -120.890999 4.038020  
25 1 1.981750 -120.133003 4.038020  
26 1 3.147460 -119.288002 2.019010  
27 1 0.816138 -118.450996 2.019010  
28 1 1.981840 -117.644997 4.038020  
29 1 6.644580 -116.814003 4.038020  
30 1 0.816226 -115.987000 2.019010  
31 1 6.644670 -114.341003 4.038020  
32 1 0.815987 -123.250000 2.019010  
33 1 1.981650 -122.663002 4.038020  
34 1 6.644400 -121.774002 4.038020  
35 1 0.816044 -120.890999 2.019010  
36 1 6.644490 -119.288002 4.038020  
37 1 5.479660 -95.385597 2.019010  
38 1 4.314030 -93.736900 4.038020  
39 1 5.479500 -100.331001 2.019010  
40 1 4.313880 -98.682602 4.038020  
41 1 5.479580 -97.858299 2.019010  
42 1 3.148260 -97.034103 2.019010  
43 1 4.313960 -96.209801 4.038020  
44 1 1.982630 -95.385498 4.038020  
45 1 3.148330 -94.561302 2.019010  
46 1 0.817007 -93.737000 2.019010  
47 1 5.479330 -105.276001 2.019010  
48 1 4.313710 -103.627998 4.038020  
49 1 5.479410 -102.803001 2.019010  
50 1 3.148090 -101.978996 2.019010  
51 1 4.313800 -101.154999 4.038020  
52 1 1.982470 -100.331001 4.038020  
53 1 3.148170 -99.506798 2.019010  
54 1 0.816853 -98.682602 2.019010  
55 1 1.982560 -97.858299 4.038020  
56 1 6.645280 -97.034103 4.038020  
57 1 0.816927 -96.209801 2.019010  
58 1 6.645360 -94.561302 4.038020  
59 1 4.313530 -108.571999 4.038020  
60 1 5.479230 -107.748001 2.019010  
61 1 3.147920 -106.924004 2.019010  
62 1 4.313620 -106.099998 4.038020  
63 1 1.982290 -105.276001 4.038020  
64 1 3.148000 -104.452003 2.019010  
65 1 0.816683 -103.627998 2.019010  
66 1 1.982390 -102.803001 4.038020  
67 1 6.645120 -101.978996 4.038020  
68 1 0.816764 -101.154999 2.019010  
69 1 6.645210 -99.506798 4.038020  
70 1 0.816503 -108.571999 2.019010  
71 1 1.982210 -107.748001 4.038020  
72 1 6.644940 -106.924004 4.038020  
73 1 0.816588 -106.099998 2.019010  
74 1 6.645030 -104.452003 4.038020  
75 1 5.480000 -80.546997 2.019010  
76 1 4.314340 -78.898201 4.038020  
77 1 5.480030 -78.073799 2.019010  
78 1 5.479920 -85.493301 2.019010  
79 1 4.314270 -83.844498 4.038020  
80 1 5.479960 -83.020103 2.019010  
81 1 3.148630 -82.195801 2.019010  
82 1 4.314310 -81.371399 4.038020  
83 1 1.982970 -80.546997 4.038020  
84 1 3.148660 -79.722603 2.019010  
85 1 0.817320 -78.898201 2.019010  
86 1 1.983010 -78.073799 4.038020  
87 1 5.479800 -90.439598 2.019010  
88 1 4.314160 -88.790802 4.038020  
89 1 5.479860 -87.966499 2.019010  
90 1 3.148530 -87.142097 2.019010  
91 1 4.314220 -86.317703 4.038020  
92 1 1.982880 -85.493301 4.038020  
93 1 3.148580 -84.668900 2.019010  
94 1 0.817244 -83.844498 2.019010  
95 1 1.982940 -83.020203 4.038020  
96 1 6.645650 -82.195801 4.038020  
97 1 0.817281 -81.371399 2.019010  
98 1 6.645690 -79.722603 4.038020  
99 1 5.479730 -92.912598 2.019010  
100 1 3.148410 -92.088303 2.019010  
101 1 4.314100 -91.264000 4.038020  
102 1 1.982770 -90.439598 4.038020  
103 1 3.148470 -89.615196 2.019010  
104 1 0.817139 -88.790901 2.019010  
105 1 1.982830 -87.966499 4.038020  
106 1 6.645550 -87.142097 4.038020  
107 1 0.817190 -86.317703 2.019010  
108 1 6.645610 -84.668900 4.038020  
109 1 1.982710 -92.912598 4.038020  
110 1 6.645430 -92.088303 4.038020  
111 1 0.817071 -91.263901 2.019010  
112 1 6.645500 -89.615196 4.038020  
113 1 5.480100 -65.707901 2.019010  
114 1 4.314420 -64.059097 4.038020  
115 1 5.480100 -63.234699 2.019010  
116 1 3.148750 -62.410400 2.019010  
117 1 5.480090 -70.654297 2.019010  
118 1 4.314410 -69.005501 4.038020  
119 1 5.480090 -68.181099 2.019010  
120 1 3.148750 -67.356697 2.019010  
121 1 4.314420 -66.532303 4.038020  
122 1 1.983070 -65.707901 4.038020  
123 1 3.148750 -64.883499 2.019010  
124 1 0.817397 -64.059097 2.019010  
125 1 1.983070 -63.234699 4.038020  
126 1 6.645770 -62.410400 4.038020  
127 1 5.480060 -75.600601 2.019010  
128 1 4.314390 -73.951797 4.038020  
129 1 5.480070 -73.127403 2.019010  
130 1 3.148730 -72.303101 2.019010  
131 1 4.314410 -71.478699 4.038020  
132 1 1.983060 -70.654297 4.038020  
133 1 3.148740 -69.829903 2.019010  
134 1 0.817389 -69.005501 2.019010  
135 1 1.983070 -68.181099 4.038020  
136 1 6.645770 -67.356697 4.038020  
137 1 0.817391 -66.532303 2.019010  
138 1 6.645780 -64.883499 4.038020  
139 1 3.148690 -77.249397 2.019010  
140 1 4.314380 -76.425003 4.038020  
141 1 1.983030 -75.600601 4.038020  
142 1 3.148710 -74.776199 2.019010  
143 1 0.817366 -73.951797 2.019010  
144 1 1.983050 -73.127502 4.038020  
145 1 6.645750 -72.303101 4.038020  
146 1 0.817376 -71.478699 2.019010  
147 1 6.645770 -69.829903 4.038020  
148 1 6.645710 -77.249397 4.038020  
149 1 0.817342 -76.425003 2.019010  
150 1 6.645740 -74.776199 4.038020  
151 1 5.480060 -50.868900 2.019010  
152 1 4.314370 -49.220100 4.038020  
153 1 5.480040 -48.395699 2.019010  
154 1 3.148680 -47.571301 2.019010  
155 1 5.480090 -55.815201 2.019010  
156 1 4.314400 -54.166401 4.038020  
157 1 5.480070 -53.341999 2.019010  
158 1 3.148720 -52.517700 2.019010  
159 1 4.314390 -51.693298 4.038020  
160 1 1.983030 -50.868900 4.038020  
161 1 3.148700 -50.044498 2.019010  
162 1 0.817344 -49.220100 2.019010  
163 1 1.983010 -48.395699 4.038020  
164 1 6.645700 -47.571301 4.038020  
165 1 5.480100 -60.761600 2.019010  
166 1 4.314420 -59.112801 4.038020  
167 1 5.480090 -58.288399 2.019010  
168 1 3.148740 -57.464001 2.019010  
169 1 4.314410 -56.639599 4.038020  
170 1 1.983060 -55.815201 4.038020  
171 1 3.148730 -54.990799 2.019010  
172 1 0.817376 -54.166401 2.019010  
173 1 1.983050 -53.341999 4.038020  
174 1 6.645740 -52.517601 4.038020  
175 1 0.817358 -51.693298 2.019010  
176 1 6.645730 -50.044498 4.038020  
177 1 4.314420 -61.585999 4.038020  
178 1 1.983070 -60.761600 4.038020  
179 1 3.148740 -59.937199 2.019010  
180 1 0.817392 -59.112801 2.019010  
181 1 1.983070 -58.288399 4.038020  
182 1 6.645770 -57.464001 4.038020  
183 1 0.817382 -56.639599 2.019010  
184 1 6.645760 -54.990799 4.038020  
185 1 0.817392 -61.585999 2.019010  
186 1 6.645770 -59.937199 4.038020  
187 1 5.479850 -36.029900 2.019010  
188 1 4.314130 -34.381100 4.038020  
189 1 5.479780 -33.556801 2.019010  
190 1 3.148420 -32.732399 2.019010  
191 1 4.314070 -31.908100 4.038020  
192 1 5.479950 -40.976200 2.019010  
193 1 4.314240 -39.327400 4.038020  
194 1 5.479900 -38.502998 2.019010  
195 1 3.148530 -37.678600 2.019010  
196 1 4.314190 -36.854198 4.038020  
197 1 1.982810 -36.029800 4.038020  
198 1 3.148470 -35.205502 2.019010  
199 1 0.817106 -34.381100 2.019010  
200 1 1.982760 -33.556801 4.038020  
201 1 6.645440 -32.732399 4.038020  
202 1 0.817032 -31.908100 2.019010  
203 1 5.480020 -45.922501 2.019010  
204 1 4.314310 -44.273701 4.038020  
205 1 5.479980 -43.449299 2.019010  
206 1 3.148620 -42.625000 2.019010  
207 1 4.314290 -41.800598 4.038020  
208 1 1.982910 -40.976200 4.038020  
209 1 3.148570 -40.151798 2.019010  
210 1 0.817214 -39.327400 2.019010  
211 1 1.982870 -38.502998 4.038020  
212 1 6.645550 -37.678600 4.038020  
213 1 0.817156 -36.854198 2.019010  
214 1 6.645510 -35.205502 4.038020  
215 1 4.314350 -46.746899 4.038020  
216 1 1.982980 -45.922501 4.038020  
217 1 3.148650 -45.098099 2.019010  
218 1 0.817292 -44.273701 2.019010  
219 1 1.982960 -43.449299 4.038020  
220 1 6.645640 -42.624901 4.038020  
221 1 0.817250 -41.800598 2.019010  
222 1 6.645610 -40.151798 4.038020  
223 1 0.817315 -46.746899 2.019010  
224 1 6.645680 -45.098099 4.038020  
225 1 5.479210 -16.248199 2.019010  
226 1 5.479390 -21.193100 2.019010  
227 1 4.313650 -19.544701 4.038020  
228 1 5.479290 -18.720600 2.019010  
229 1 3.147920 -17.896500 2.019010  
230 1 4.313560 -17.072300 4.038020  
231 1 1.982170 -16.248199 4.038020  
232 1 5.479570 -26.138201 2.019010  
233 1 4.313830 -24.489700 4.038020  
234 1 5.479470 -23.665600 2.019010  
235 1 3.148100 -22.841400 2.019010  
236 1 4.313750 -22.017200 4.038020  
237 1 1.982360 -21.193100 4.038020  
238 1 3.148000 -20.368900 2.019010  
239 1 0.816626 -19.544800 2.019010  
240 1 1.982270 -18.720600 4.038020  
241 1 6.644940 -17.896500 4.038020  
242 1 0.816527 -17.072300 2.019010  
243 1 5.479720 -31.083799 2.019010  
244 1 4.313990 -29.435200 4.038020  
245 1 5.479640 -28.610901 2.019010  
246 1 3.148270 -27.786600 2.019010  
247 1 4.313920 -26.962400 4.038020  
248 1 1.982530 -26.138100 4.038020  
249 1 3.148180 -25.313900 2.019010  
250 1 0.816805 -24.489700 2.019010  
251 1 1.982450 -23.665600 4.038020  
252 1 6.645120 -22.841400 4.038020  
253 1 0.816709 -22.017200 2.019010  
254 1 6.645040 -20.368900 4.038020  
255 1 1.982680 -31.083799 4.038020  
256 1 3.148340 -30.259399 2.019010  
257 1 0.816968 -29.435200 2.019010  
258 1 1.982620 -28.610901 4.038020  
259 1 6.645290 -27.786600 4.038020  
260 1 0.816880 -26.962400 2.019010  
261 1 6.645210 -25.313900 4.038020  
262 1 6.645370 -30.259501 4.038020  
263 1 5.478680 -1.570620 2.019010  
264 1 5.478830 -6.370040 2.019010  
265 1 4.313090 -4.687390 4.038020  
266 1 5.478740 -3.929330 2.019010  
267 1 3.147360 -3.047140 2.019010  
268 1 4.312990 -2.157340 4.038020  
269 1 1.981650 -1.570620 4.038020  
270 1 5.479020 -11.304100 2.019010  
271 1 4.313270 -9.653010 4.038020  
272 1 5.478920 -8.833950 2.019010  
273 1 3.147540 -8.006950 2.019010  
274 1 4.313180 -7.175820 4.038020  
275 1 1.981800 -6.370030 4.038020  
276 1 3.147440 -5.532410 2.019010  
277 1 0.816063 -4.687390 2.019010  
278 1 1.981710 -3.929330 4.038020  
279 1 6.644380 -3.047140 4.038020  
280 1 0.815963 -2.157340 2.019010  
281 1 4.313460 -14.599700 4.038020  
282 1 5.479110 -13.775900 2.019010  
283 1 3.147730 -12.951700 2.019010  
284 1 4.313370 -12.126900 4.038020  
285 1 1.981980 -11.304100 4.038020  
286 1 3.147630 -10.479400 2.019010  
287 1 0.816249 -9.653010 2.019010  
288 1 1.981890 -8.833950 4.038020  
289 1 6.644560 -8.006950 4.038020  
290 1 0.816153 -7.175810 2.019010  
291 1 6.644480 -5.532410 4.038020  
292 1 3.147820 -15.424100 2.019010  
293 1 0.816439 -14.599700 2.019010  
294 1 1.982080 -13.776000 4.038020  
295 1 6.644750 -12.951700 4.038020  
296 1 0.816339 -12.126900 2.019010  
297 1 6.644660 -10.479400 4.038020  
298 1 6.644850 -15.424100 4.038020  
299 1 0.815637 1.330710 2.019010  
300 1 4.312670 1.330710 4.038020  
301 1 5.478330 0.743992 2.019010  
302 1 5.478270 3.102700 2.019010  
303 1 6.643980 2.220520 4.038020  
304 1 6.643890 4.705790 4.038020  
305 1 0.815539 3.860760 2.019010  
306 1 0.815447 6.349190 2.019010  
307 1 1.981300 0.743990 4.038020  
308 1 1.981250 3.102700 4.038020  
309 1 3.146950 2.220520 2.019010  
310 1 3.146860 4.705790 2.019010  
311 1 4.312570 3.860760 4.038020  
312 1 4.312480 6.349190 4.038020  
313 1 5.478180 5.543410 2.019010  
314 1 5.478090 8.007320 2.019010  
315 1 6.643800 7.180320 4.038020  
316 1 6.643710 9.652800 4.038020  
317 1 0.815356 8.826380 2.019010  
318 1 0.815261 11.300200 2.019010  
319 1 1.981150 5.543400 4.038020  
320 1 1.981060 8.007320 4.038020  
321 1 3.146770 7.180320 2.019010  
322 1 3.146680 9.652800 2.019010  
323 1 4.312380 8.826380 4.038020  
324 1 4.312290 11.300200 4.038020  
325 1 5.478000 10.477500 2.019010  
326 1 5.477900 12.949300 2.019010  
327 1 6.643610 12.125100 4.038020  
328 1 6.643520 14.597500 4.038020  
329 1 0.815170 13.773100 2.019010  
330 1 1.980970 10.477500 4.038020  
331 1 1.980880 12.949300 4.038020  
332 1 3.146580 12.125100 2.019010  
333 1 3.146490 14.597500 2.019010  
334 1 4.312200 13.773100 4.038020  
335 1 5.477810 15.421600 2.019010  
336 1 1.980780 15.421600 4.038020  
337 1 3.147150 -0.413314 2.019010  
338 1 6.644180 -0.413314 4.038020  
339 1 0.815077 16.245701 2.019010  
340 1 4.312110 16.245701 4.038020  
341 1 5.477720 17.893999 2.019010  
342 1 6.643430 17.069901 4.038020  
343 1 6.643340 19.542299 4.038020  
344 1 0.814987 18.718100 2.019010  
345 1 0.814896 21.190599 2.019010  
346 1 1.980690 17.893999 4.038020  
347 1 3.146400 17.069901 2.019010  
348 1 3.146310 19.542299 2.019010  
349 1 4.312010 18.718100 4.038020  
350 1 4.311930 21.190599 4.038020  
351 1 5.477630 20.366400 2.019010  
352 1 5.477540 22.838900 2.019010  
353 1 6.643250 22.014799 4.038020  
354 1 6.643160 24.487301 4.038020  
355 1 0.814811 23.663099 2.019010  
356 1 0.814725 26.135700 2.019010  
357 1 1.980600 20.366400 4.038020  
358 1 1.980520 22.838900 4.038020  
359 1 3.146220 22.014799 2.019010  
360 1 3.146130 24.487301 2.019010  
361 1 4.311840 23.663099 4.038020  
362 1 4.311760 26.135799 4.038020  
363 1 5.477460 25.311501 2.019010  
364 1 5.477380 27.784300 2.019010  
365 1 6.643080 26.959999 4.038020  
366 1 6.643000 29.432800 4.038020  
367 1 0.814647 28.608500 2.019010  
368 1 0.814571 31.081499 2.019010  
369 1 1.980430 25.311501 4.038020  
370 1 1.980350 27.784300 4.038020  
371 1 3.146050 26.959999 2.019010  
372 1 3.145970 29.432800 2.019010  
373 1 4.311670 28.608500 4.038020  
374 1 4.311600 31.081499 4.038020  
375 1 5.477300 30.257099 2.019010  
376 1 1.980270 30.257099 4.038020  
377 1 5.477230 32.730099 2.019010  
378 1 6.642930 31.905800 4.038020  
379 1 6.642870 34.378899 4.038020  
380 1 0.814506 33.554501 2.019010  
381 1 0.814445 36.027599 2.019010  
382 1 1.980200 32.730099 4.038020  
383 1 3.145900 31.905800 2.019010  
384 1 3.145840 34.378899 2.019010  
385 1 4.311530 33.554501 4.038020  
386 1 4.311480 36.027599 4.038020  
387 1 5.477170 35.203201 2.019010  
388 1 5.477110 37.676399 2.019010  
389 1 6.642810 36.852001 4.038020  
390 1 6.642760 39.325100 4.038020  
391 1 0.814395 38.500801 2.019010  
392 1 0.814351 40.973900 2.019010  
393 1 1.980140 35.203201 4.038020  
394 1 1.980090 37.676399 4.038020  
395 1 3.145780 36.852001 2.019010  
396 1 3.145730 39.325100 2.019010  
397 1 4.311420 38.500801 4.038020  
398 1 4.311380 40.973900 4.038020  
399 1 5.477070 40.149502 2.019010  
400 1 5.477030 42.622700 2.019010  
401 1 6.642720 41.798302 4.038020  
402 1 6.642690 44.271500 4.038020  
403 1 0.814315 43.447102 2.019010  
404 1 0.814285 45.920300 2.019010  
405 1 1.980040 40.149502 4.038020  
406 1 1.980000 42.622700 4.038020  
407 1 3.145690 41.798302 2.019010  
408 1 3.145660 44.271500 2.019010  
409 1 4.311340 43.447102 4.038020  
410 1 4.311310 45.920300 4.038020  
411 1 5.477000 45.095901 2.019010  
412 1 6.642660 46.744701 4.038020  
413 1 1.979970 45.095901 4.038020  
414 1 3.145630 46.744701 2.019010  
415 1 5.476970 47.569099 2.019010  
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535 1 0.814754 97.855904 2.019010  
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537 1 1.980330 94.558899 4.038020  
538 1 1.980400 97.031700 4.038020  
539 1 3.146050 96.207497 2.019010  
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599 1 3.147160 123.581001 2.019010  
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