Fe 100 sig5 210.txt

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Store this file in "Fe_100_sig5_210.txt" to use it with the grain boundary fracture example.

# Minimum Energy GB Structure for LAMMPS   

380 atoms 
2 atom types 
0.000000 6.384670 xlo xhi   
-121.638000 121.638000 ylo yhi   
0.000000 2.855310 zlo zhi   

Atoms 

1 1 4.460670 -121.056000 1.427660   
2 1 0.121831 -121.349998 0.000000   
3 1 0.614806 -119.457001 1.427660   
4 1 2.536320 -120.134003 0.000000   
5 1 3.193350 -118.271004 1.427660   
6 1 5.056950 -118.997002 0.000000   
7 1 5.717690 -117.030998 1.427660   
8 1 1.272510 -117.596001 0.000000   
9 1 1.907410 -115.704002 1.427660   
10 1 3.820340 -116.360001 0.000000   
11 1 4.457650 -114.445999 1.427660   
12 1 6.366010 -115.097000 0.000000   
13 1 0.623987 -113.174004 1.427660   
14 1 2.543940 -113.799004 0.000000   
15 1 3.182210 -111.888000 1.427660   
16 1 5.096380 -112.530998 0.000000   
17 1 5.735870 -110.615997 1.427660   
18 1 1.265040 -111.255997 0.000000   
19 1 1.905550 -109.338997 1.427660   
20 1 3.821420 -109.974998 0.000000   
21 1 4.461220 -108.060997 1.427660   
22 1 6.375800 -108.699997 0.000000   
23 1 0.631379 -106.785004 1.427660   
24 1 2.545990 -107.422997 0.000000   
25 1 3.186490 -105.508003 1.427660   
26 1 5.101420 -106.146004 0.000000   
27 1 5.741860 -104.231003 1.427660   
28 1 1.271840 -104.870003 0.000000   
29 1 1.912420 -102.955002 1.427660   
30 1 3.827090 -103.593002 0.000000   
31 1 4.467730 -101.678001 1.427660   
32 1 6.382440 -102.316002 0.000000   
33 1 0.638419 -100.401001 1.427660   
34 1 2.553070 -101.039001 0.000000   
35 1 3.193740 -99.124397 1.427660   
36 1 5.108410 -99.762802 0.000000   
37 1 5.749090 -97.847702 1.427660   
38 1 1.279090 -98.486000 0.000000   
39 1 1.919780 -96.570999 1.427660   
40 1 3.834430 -97.209297 0.000000   
41 1 4.475120 -95.294296 1.427660   
42 1 0.005111 -95.932602 0.000000   
43 1 0.645805 -94.017502 1.427660   
44 1 2.560460 -94.655899 0.000000   
45 1 3.201160 -92.740799 1.427660   
46 1 5.115820 -93.379204 0.000000   
47 1 5.756520 -91.463997 1.427660   
48 1 1.286510 -92.102402 0.000000   
49 1 1.927220 -90.187202 1.427660   
50 1 3.841870 -90.825600 0.000000   
51 1 4.482580 -88.910500 1.427660   
52 1 0.012563 -89.548897 0.000000   
53 1 0.653283 -87.633698 1.427660   
54 1 2.567930 -88.272102 0.000000   
55 1 3.208660 -86.356796 1.427660   
56 1 5.123310 -86.995300 0.000000   
57 1 5.764040 -85.080002 1.427660   
58 1 1.294010 -85.718399 0.000000   
59 1 1.934750 -83.803200 1.427660   
60 1 3.849390 -84.441597 0.000000   
61 1 4.490130 -82.526299 1.427660   
62 1 0.020102 -83.164803 0.000000   
63 1 0.660844 -81.249496 1.427660   
64 1 2.575490 -81.887901 0.000000   
65 1 3.216230 -79.972603 1.427660   
66 1 5.130870 -80.611099 0.000000   
67 1 5.771630 -78.695801 1.427660   
68 1 1.301590 -79.334198 0.000000   
69 1 1.942350 -77.418900 1.427660   
70 1 3.856990 -78.057297 0.000000   
71 1 4.497740 -76.141998 1.427660   
72 1 0.027709 -76.780502 0.000000   
73 1 0.668470 -74.865196 1.427660   
74 1 2.583110 -75.503601 0.000000   
75 1 3.223870 -73.588303 1.427660   
76 1 5.138510 -74.226700 0.000000   
77 1 5.779270 -72.311401 1.427660   
78 1 1.309240 -72.949799 0.000000   
79 1 1.950010 -71.034500 1.427660   
80 1 3.864640 -71.672997 0.000000   
81 1 4.505410 -69.757698 1.427660   
82 1 0.035374 -70.396103 0.000000   
83 1 0.676151 -68.480797 1.427660   
84 1 2.590780 -69.119202 0.000000   
85 1 3.231560 -67.203903 1.427660   
86 1 5.146190 -67.842400 0.000000   
87 1 5.786980 -65.927002 1.427660   
88 1 1.316930 -66.565498 0.000000   
89 1 1.957720 -64.650200 1.427660   
90 1 3.872350 -65.288597 0.000000   
91 1 4.513140 -63.373299 1.427660   
92 1 0.043091 -64.011703 0.000000   
93 1 0.683885 -62.096401 1.427660   
94 1 2.598510 -62.734901 0.000000   
95 1 5.153930 -61.458000 0.000000   
96 1 3.239310 -60.819599 1.427660   
97 1 5.794730 -59.542702 1.427660   
98 1 1.324680 -60.181099 0.000000   
99 1 1.965490 -58.265800 1.427660   
100 1 3.880110 -58.904301 0.000000   
101 1 4.520920 -56.988899 1.427660   
102 1 0.050868 -57.627399 0.000000   
103 1 0.691679 -55.712101 1.427660   
104 1 2.606300 -56.350498 0.000000   
105 1 3.247110 -54.435200 1.427660   
106 1 5.161730 -55.073601 0.000000   
107 1 5.802550 -53.158298 1.427660   
108 1 1.332500 -53.796799 0.000000   
109 1 1.973320 -51.881500 1.427660   
110 1 3.887930 -52.519901 0.000000   
111 1 4.528760 -50.604599 1.427660   
112 1 0.058702 -51.243000 0.000000   
113 1 0.699532 -49.327702 1.427660   
114 1 2.614150 -49.966202 0.000000   
115 1 3.254980 -48.050900 1.427660   
116 1 5.169590 -48.689301 0.000000   
117 1 5.810430 -46.773998 1.427660   
118 1 1.340370 -47.412399 0.000000   
119 1 3.895820 -46.135601 0.000000   
120 1 1.981210 -45.497101 1.427660   
121 1 4.536660 -44.220299 1.427660   
122 1 0.066599 -44.858700 0.000000   
123 1 0.707446 -42.943401 1.427660   
124 1 2.622050 -43.581799 0.000000   
125 1 3.262900 -41.666599 1.427660   
126 1 5.177510 -42.305000 0.000000   
127 1 5.818360 -40.389702 1.427660   
128 1 1.348300 -41.028099 0.000000   
129 1 1.989150 -39.112900 1.427660   
130 1 3.903760 -39.751301 0.000000   
131 1 4.544610 -37.836102 1.427660   
132 1 0.074546 -38.474499 0.000000   
133 1 0.715404 -36.559200 1.427660   
134 1 2.630010 -37.197601 0.000000   
135 1 3.270870 -35.282398 1.427660   
136 1 5.185470 -35.920799 0.000000   
137 1 5.826330 -34.005600 1.427660   
138 1 1.356260 -34.644001 0.000000   
139 1 1.997120 -32.728901 1.427660   
140 1 3.911730 -33.367298 0.000000   
141 1 4.552590 -31.452101 1.427660   
142 1 0.082520 -32.090500 0.000000   
143 1 2.637990 -30.813700 0.000000   
144 1 0.723381 -30.175400 1.427660   
145 1 3.278850 -28.898600 1.427660   
146 1 5.193450 -29.537001 0.000000   
147 1 5.834320 -27.621901 1.427660   
148 1 1.364240 -28.260300 0.000000   
149 1 2.005110 -26.345200 1.427660   
150 1 3.919710 -26.983500 0.000000   
151 1 4.560580 -25.068501 1.427660   
152 1 0.090508 -25.706800 0.000000   
153 1 0.731376 -23.791800 1.427660   
154 1 2.645970 -24.430099 0.000000   
155 1 3.286830 -22.515100 1.427660   
156 1 5.201450 -23.153400 0.000000   
157 1 5.842320 -21.238300 1.427660   
158 1 1.372240 -21.876699 0.000000   
159 1 2.013090 -19.961599 1.427660   
160 1 3.927680 -20.600100 0.000000   
161 1 4.568500 -18.685101 1.427660   
162 1 0.098511 -19.323200 2.855310   
163 1 0.739356 -17.408100 1.427660   
164 1 2.653910 -18.046499 0.000000   
165 1 3.294660 -16.131399 1.427660   
166 1 5.209240 -16.770100 0.000000   
167 1 1.380180 -15.492800 0.000000   
168 1 5.849840 -14.855400 1.427660   
169 1 2.021010 -13.577200 1.427660   
170 1 3.935270 -14.216300 0.000000   
171 1 4.575630 -12.301200 1.427660   
172 1 0.105523 -12.941000 0.000000   
173 1 0.745482 -11.027400 1.427660   
174 1 2.661980 -11.660800 0.000000   
175 1 3.303420 -9.742730 1.427660   
176 1 5.215560 -10.386400 0.000000   
177 1 5.854650 -8.472240 1.427660   
178 1 1.384840 -9.115630 0.000000   
179 1 2.023040 -7.207600 1.427660   
180 1 3.946290 -7.820610 0.000000   
181 1 4.593240 -5.888760 1.427660   
182 1 0.107342 -6.560490 0.000000   
183 1 0.736295 -4.654560 1.427660   
184 1 2.661220 -5.308910 0.000000   
185 1 3.308560 -3.425320 1.427660   
186 1 5.251020 -3.931570 0.000000   
187 1 5.922660 -1.878590 1.427660   
188 1 1.382770 -2.796470 0.000000   
189 1 1.956110 -0.866116 1.427660   
190 1 3.884190 -1.577170 0.000000   
191 1 4.490600 0.288597 1.427660   
192 1 0.151759 0.582346 0.000000   
193 1 5.279410 4.607850 0.000000   
194 1 5.940150 2.641370 1.427660   
195 1 1.419070 3.367500 0.000000   
196 1 2.076100 1.503900 1.427660   
197 1 3.997620 2.181050 0.000000   
198 1 4.631090 6.541390 1.427660   
199 1 0.154781 7.192120 0.000000   
200 1 0.792089 5.277900 1.427660   
201 1 2.705010 5.934540 0.000000   
202 1 3.339920 4.042430 1.427660   
203 1 5.261230 11.022900 0.000000   
204 1 5.900710 9.107370 1.427660   
205 1 1.430210 9.750370 0.000000   
206 1 2.068490 7.839800 1.427660   
207 1 3.988440 8.464370 0.000000   
208 1 4.621300 12.938200 1.427660   
209 1 0.151208 13.577700 0.000000   
210 1 0.791010 11.663500 1.427660   
211 1 2.706870 12.299300 0.000000   
212 1 3.347390 10.382800 1.427660   
213 1 2.066440 14.215000 1.427660   
214 1 3.981050 14.853500 0.000000   
215 1 5.255240 17.407301 0.000000   
216 1 5.895680 15.492400 1.427660   
217 1 1.425940 16.130301 0.000000   
218 1 4.614660 19.322300 1.427660   
219 1 0.144696 19.960501 0.000000   
220 1 0.785341 18.045401 1.427660   
221 1 2.700010 18.683800 0.000000   
222 1 3.340590 16.768700 1.427660   
223 1 5.248010 23.790701 0.000000   
224 1 5.888690 21.875601 1.427660   
225 1 1.418680 22.514000 0.000000   
226 1 2.059360 20.598900 1.427660   
227 1 3.974010 21.237301 0.000000   
228 1 4.607320 25.705799 1.427660   
229 1 0.137305 26.344101 0.000000   
230 1 0.777994 24.429001 1.427660   
231 1 2.692650 25.067400 0.000000   
232 1 3.333340 23.152300 1.427660   
233 1 5.240580 30.174400 0.000000   
234 1 5.881280 28.259199 1.427660   
235 1 1.411260 28.897600 0.000000   
236 1 2.051960 26.982500 1.427660   
237 1 3.966620 27.620899 0.000000   
238 1 3.325920 29.535999 1.427660   
239 1 4.599860 32.089500 1.427660   
240 1 0.129844 32.727901 0.000000   
241 1 0.770558 30.812700 1.427660   
242 1 2.685210 31.451099 0.000000   
243 1 5.233060 36.558399 0.000000   
244 1 5.873790 34.643101 1.427660   
245 1 1.403770 35.281502 0.000000   
246 1 2.044490 33.366299 1.427660   
247 1 3.959140 34.004700 0.000000   
248 1 4.592330 38.473598 1.427660   
249 1 0.122297 39.112000 0.000000   
250 1 0.763037 37.196800 1.427660   
251 1 2.677680 37.835201 0.000000   
252 1 3.318420 35.919899 1.427660   
253 1 5.225470 42.942600 0.000000   
254 1 5.866220 41.027302 1.427660   
255 1 1.396190 41.665798 0.000000   
256 1 2.036940 39.750500 1.427660   
257 1 3.951580 40.388901 0.000000   
258 1 4.584720 44.857899 1.427660   
259 1 0.114684 45.496399 0.000000   
260 1 0.755441 43.581100 1.427660   
261 1 2.670080 44.219501 0.000000   
262 1 3.310830 42.304199 1.427660   
263 1 5.217830 49.327000 0.000000   
264 1 5.858590 47.411701 1.427660   
265 1 1.388560 48.050098 0.000000   
266 1 2.029320 46.134800 1.427660   
267 1 3.943960 46.773201 0.000000   
268 1 4.577050 51.242298 1.427660   
269 1 0.107013 51.880699 0.000000   
270 1 0.747787 49.965401 1.427660   
271 1 2.662420 50.603901 0.000000   
272 1 3.303190 48.688499 1.427660   
273 1 5.210120 55.711300 0.000000   
274 1 5.850910 53.796001 1.427660   
275 1 1.380860 54.434502 0.000000   
276 1 2.021640 52.519199 1.427660   
277 1 3.936280 53.157600 0.000000   
278 1 4.569340 57.626701 1.427660   
279 1 0.099290 58.265099 0.000000   
280 1 0.740080 56.349800 1.427660   
281 1 2.654710 56.988201 0.000000   
282 1 3.295490 55.072899 1.427660   
283 1 5.843170 60.180401 1.427660   
284 1 1.373120 60.818802 0.000000   
285 1 2.013920 58.903500 1.427660   
286 1 3.928540 59.542000 0.000000   
287 1 5.202370 62.095699 0.000000   
288 1 4.561560 64.011002 1.427660   
289 1 0.091508 64.649399 0.000000   
290 1 0.732316 62.734100 1.427660   
291 1 2.646940 63.372601 2.855310   
292 1 3.287740 61.457298 1.427660   
293 1 5.194550 68.480003 0.000000   
294 1 5.835370 66.564697 1.427660   
295 1 1.365310 67.203201 0.000000   
296 1 2.006130 65.287903 1.427660   
297 1 3.920750 65.926300 0.000000   
298 1 4.553720 70.395401 1.427660   
299 1 0.083667 71.033798 0.000000   
300 1 0.724493 69.118500 1.427660   
301 1 2.639110 69.756897 0.000000   
302 1 3.279930 67.841599 1.427660   
303 1 5.186670 74.864403 0.000000   
304 1 5.827510 72.949097 1.427660   
305 1 1.357450 73.587502 0.000000   
306 1 1.998280 71.672203 1.427660   
307 1 3.912890 72.310699 0.000000   
308 1 0.716608 75.502800 1.427660   
309 1 3.272060 74.225998 1.427660   
310 1 4.545830 76.779701 1.427660   
311 1 0.075764 77.418098 0.000000   
312 1 2.631220 76.141296 0.000000   
313 1 5.178740 81.248703 0.000000   
314 1 5.819590 79.333397 1.427660   
315 1 1.349520 79.971802 0.000000   
316 1 1.990370 78.056503 1.427660   
317 1 3.904980 78.695000 0.000000   
318 1 4.537880 83.163902 1.427660   
319 1 0.067814 83.802299 0.000000   
320 1 0.708670 81.887100 1.427660   
321 1 2.623280 82.525497 0.000000   
322 1 3.264130 80.610199 1.427660   
323 1 5.170770 87.632698 0.000000   
324 1 5.811630 85.717598 1.427660   
325 1 1.341560 86.356003 0.000000   
326 1 1.982420 84.440697 1.427660   
327 1 3.897020 85.079102 0.000000   
328 1 4.529910 89.547897 1.427660   
329 1 0.059838 90.186302 0.000000   
330 1 0.700700 88.271103 1.427660   
331 1 2.615300 88.909500 0.000000   
332 1 3.256160 86.994301 1.427660   
333 1 1.974440 90.824699 1.427660   
334 1 5.162780 94.016502 0.000000   
335 1 5.803650 92.101402 1.427660   
336 1 1.333580 92.739799 0.000000   
337 1 3.889050 91.462997 0.000000   
338 1 4.521920 95.931602 1.427660   
339 1 0.051848 96.569901 0.000000   
340 1 0.692713 94.654900 1.427660   
341 1 2.607320 95.293198 0.000000   
342 1 3.248180 93.378098 1.427660   
343 1 5.154780 100.400002 0.000000   
344 1 5.795650 98.485001 1.427660   
345 1 1.325590 99.123299 0.000000   
346 1 1.966450 97.208298 1.427660   
347 1 3.881050 97.846603 0.000000   
348 1 4.513920 102.315002 1.427660   
349 1 0.043927 102.953003 0.000000   
350 1 0.684743 101.038002 1.427660   
351 1 2.599330 101.677002 0.000000   
352 1 3.240190 99.761703 1.427660   
353 1 5.787860 104.867996 1.427660   
354 1 1.317770 105.507004 0.000000   
355 1 1.958510 103.592003 1.427660   
356 1 3.873070 104.230003 0.000000   
357 1 3.232240 106.146004 1.427660   
358 1 5.147260 106.782997 0.000000   
359 1 4.506900 108.696999 1.427660   
360 1 0.036794 109.336998 0.000000   
361 1 0.677159 107.421997 1.427660   
362 1 2.591410 108.060997 0.000000   
363 1 5.142450 113.166000 0.000000   
364 1 5.781540 111.251999 1.427660   
365 1 1.309010 111.896004 0.000000   
366 1 1.950450 109.977997 1.427660   
367 1 3.866940 110.611000 0.000000   
368 1 4.505080 115.078003 1.427660   
369 1 0.019188 115.750000 0.000000   
370 1 0.666139 113.818001 1.427660   
371 1 2.589390 114.431000 0.000000   
372 1 3.227590 112.523003 1.427660   
373 1 5.074440 119.760002 0.000000   
374 1 5.746080 117.707001 1.427660   
375 1 1.303870 118.212997 0.000000   
376 1 1.951210 116.329002 1.427660   
377 1 3.876130 116.984001 0.000000   
378 1 0.728234 120.060997 1.427660   
379 1 2.656320 120.772003 0.000000   
380 1 3.229660 118.842003 1.427660  
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