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data.water
393 lines (391 loc) · 15.9 KB
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data.water
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# LAMMPS data file written by OVITO Basic 3.3.5
384 atoms
2 atom types
0.0 15.655 xlo xhi
0.0 15.655 ylo yhi
0.0 15.655 zlo zhi
Atoms # charge
1 2 0.0 5.5039849 6.2100254 14.8459496
2 1 0.0 4.98095135 6.6380331 14.10906875
3 1 0.0 5.0750379 6.41901965 0.06997785
4 2 0.0 6.8440529 3.82999575 14.62505755
5 1 0.0 5.9999353 3.30398775 14.5209518
6 1 0.0 6.62096915 4.7710178 14.8810168
7 2 0.0 4.42206785 15.44193545 5.95594475
8 1 0.0 3.83406605 15.0760781 5.23393615
9 1 0.0 4.77994115 14.68799065 6.50700075
10 2 0.0 10.79897555 3.34594315 15.57594225
11 1 0.0 11.234028 4.2440705 15.51394845
12 1 0.0 11.44803185 2.6409985 15.29196055
13 2 0.0 6.47099425 9.1040087 9.29296455
14 1 0.0 6.8659699 8.23593895 9.59604535
15 1 0.0 5.4870775 9.10103425 9.4700226
16 2 0.0 9.5890006 8.50207395 3.491065
17 1 0.0 9.14705995 8.62105195 4.3799559
18 1 0.0 10.51906415 8.866992 3.53004595
19 2 0.0 5.6530205 2.6209601 9.06095745
20 1 0.0 5.9160245 1.7649447 9.5060291
21 1 0.0 5.6160747 2.4850747 8.07093525
22 2 0.0 0.1180387 3.42296575 8.5260261
23 1 0.0 14.96602345 3.4929436 7.9389636
24 1 0.0 15.5169229 3.62898555 9.4700226
25 2 0.0 1.70404675 12.6060322 5.9839672
26 1 0.0 1.12293315 13.35700255 5.6689886
27 1 0.0 2.5639759 12.61401625 5.472988
28 2 0.0 15.22495715 14.2360308 3.7089826
29 1 0.0 0.3610043 14.58498075 4.21103845
30 1 0.0 15.17893145 14.6759363 2.8119511
31 2 0.0 5.9319926 1.9750348 6.45502615
32 1 0.0 5.519953 1.09600655 6.21393915
33 1 0.0 6.9129349 1.94701235 6.26403515
34 2 0.0 11.8740044 5.926983 15.6039647
35 1 0.0 12.24205345 6.6380331 15.0050044
36 1 0.0 11.01595385 6.24305745 0.35395955
37 2 0.0 3.9150024 6.2569904 7.51800065
38 1 0.0 2.95895155 6.21707015 7.8090271
39 1 0.0 3.9979739 6.86894435 6.7310238
40 2 0.0 11.51503525 12.6799238 2.09197765
41 1 0.0 10.7130296 13.0340399 2.57195995
42 1 0.0 11.2459258 12.3589963 1.18398765
43 2 0.0 13.31692575 14.44502505 14.6039233
44 1 0.0 12.47092955 14.7050546 14.1380305
45 1 0.0 13.46502205 13.46095175 14.50200925
46 2 0.0 1.3979915 3.62992485 1.5260494
47 1 0.0 0.4439758 3.71195705 1.2379974
48 1 0.0 1.44699165 3.6369696 2.52499495
49 2 0.0 0.1380771 8.97798595 9.63800075
50 1 0.0 15.1399505 8.2320252 9.5069684
51 1 0.0 0.38307785 9.03997975 10.6050101
52 2 0.0 10.67905825 0.94603165 12.72798465
53 1 0.0 10.0389253 1.70905635 12.83099455
54 1 0.0 10.55193965 0.30104565 13.48099015
55 2 0.0 6.28094255 13.5550383 6.8230752
56 1 0.0 7.2000476 13.94594365 6.860021
57 1 0.0 6.29503205 12.6329588 7.2100668
58 2 0.0 3.3670774 11.8649245 12.84602335
59 1 0.0 2.39693705 11.6889623 12.67694935
60 1 0.0 3.8329702 12.02304 11.976075
61 2 0.0 1.0629745 1.1509556 0.21807415
62 1 0.0 1.01804465 1.5830336 14.97197235
63 1 0.0 1.2530262 1.8460376 0.9120603
64 2 0.0 11.8229691 4.5030042 2.82306615
65 1 0.0 11.0849924 4.48093065 2.14802255
66 1 0.0 12.6060322 4.997076 2.4449979
67 2 0.0 12.8799947 2.3310295 13.97694055
68 1 0.0 13.65507375 1.7330085 13.77405175
69 1 0.0 12.0800242 2.0260701 13.46095175
70 2 0.0 4.52695635 15.4289418 9.67494655
71 1 0.0 5.4579592 15.4630697 9.31206365
72 1 0.0 4.1119423 14.54897425 9.4449746
73 2 0.0 10.3360572 15.15294415 14.7579685
74 1 0.0 10.62207405 14.19704985 14.82606775
75 1 0.0 9.59792395 15.32702775 15.40999925
76 2 0.0 15.3509799 9.37405745 12.3899932
77 1 0.0 15.3359511 8.73001075 13.1539572
78 1 0.0 14.41402815 9.6159272 12.1379477
79 2 0.0 10.9259376 8.2639614 6.5920074
80 1 0.0 11.1770438 8.79701415 5.78405285
81 1 0.0 9.93200165 8.1700314 6.6339628
82 2 0.0 13.1370498 13.8800361 5.6229629
83 1 0.0 13.86203285 14.18296035 5.00506005
84 1 0.0 12.405022 14.5610286 5.6370524
85 2 0.0 8.0720311 8.20400275 6.01793855
86 1 0.0 7.3249745 7.5679401 5.82506895
87 1 0.0 7.7060172 9.1309353 6.10404105
88 2 0.0 4.41799755 1.77198945 3.36598155
89 1 0.0 3.8110532 1.4850333 4.1069327
90 1 0.0 5.2769874 1.2639847 3.42296575
91 2 0.0 11.7450072 5.18603185 5.6270332
92 1 0.0 11.58798755 4.9150438 4.67693125
93 1 0.0 11.34095165 6.0860378 5.7879666
94 2 0.0 1.0410575 2.79300855 13.71299725
95 1 0.0 2.0060317 2.7029923 13.46596135
96 1 0.0 0.83895145 3.7490594 13.92496595
97 2 0.0 4.64405575 5.1890063 10.09794465
98 1 0.0 4.1789457 5.43995595 9.2480347
99 1 0.0 5.2200032 4.38793995 9.93795055
100 2 0.0 3.23698435 3.7190018 6.4229334
101 1 0.0 3.50092765 4.64092475 6.7059758
102 1 0.0 4.0439996 3.12896485 6.4169845
103 2 0.0 14.9229722 7.3080671 14.13098575
104 1 0.0 14.94692435 6.52296885 13.51292635
105 1 0.0 13.9899342 7.66202665 14.1849955
106 2 0.0 7.7620621 0.9339773 3.02094535
107 1 0.0 7.9129763 0.0779619 2.5270301
108 1 0.0 7.84299845 1.70404675 2.3870744
109 2 0.0 6.0650601 13.3080024 13.46502205
110 1 0.0 5.25898415 12.7560071 13.6790259
111 1 0.0 6.43999735 13.69201955 14.3089831
112 2 0.0 0.1859814 7.92503065 0.81296415
113 1 0.0 0.9640349 8.5379239 0.670034
114 1 0.0 15.5930062 7.4940485 15.60005095
115 2 0.0 9.6979594 6.96600535 1.26601985
116 1 0.0 9.01493175 6.24305745 1.36902975
117 1 0.0 9.60105495 7.62602015 2.00994545
118 2 0.0 14.0190525 11.8649245 8.9690626
119 1 0.0 13.7619974 12.78903915 8.68398505
120 1 0.0 14.41903775 11.37601885 8.19304425
121 2 0.0 14.2880054 0.1919303 1.18492695
122 1 0.0 13.82696565 15.46604415 0.38307785
123 1 0.0 15.18394105 0.547925 0.9170699
124 2 0.0 14.6020447 5.0499899 11.67001975
125 1 0.0 14.2369701 4.157968 11.40106685
126 1 0.0 15.4649483 4.92302785 12.1589254
127 2 0.0 7.90593155 3.7650275 10.1619736
128 1 0.0 8.72500115 3.9929643 9.6359656
129 1 0.0 7.2529615 3.2900548 9.5730325
130 2 0.0 11.71698475 7.0610312 9.0319957
131 1 0.0 11.03098265 7.2050572 9.7449244
132 1 0.0 11.4409871 7.5469624 8.2019676
133 2 0.0 1.92102505 1.552976 7.86992505
134 1 0.0 2.73007545 2.1409778 7.8810401
135 1 0.0 1.098981 2.1149905 7.96604675
136 2 0.0 9.63800075 13.7939336 3.9820058
137 1 0.0 8.64703925 13.8030135 3.8429894
138 1 0.0 9.97395705 14.73401635 4.0430603
139 2 0.0 2.460966 7.6330649 14.6399298
140 1 0.0 2.55505255 6.8550114 15.26096365
141 1 0.0 2.5439375 8.48501 15.15795375
142 2 0.0 10.12706295 4.900015 9.17492585
143 1 0.0 10.61299415 4.085955 9.49397475
144 1 0.0 10.77204895 5.5180744 8.72594045
145 2 0.0 12.2669449 1.5169695 8.8519632
146 1 0.0 11.3229484 1.4549757 9.17398655
147 1 0.0 12.55797135 0.62698275 8.5000388
148 2 0.0 13.19794775 10.63397185 11.30995475
149 1 0.0 13.5609872 11.03098265 10.4659937
150 1 0.0 12.2879226 10.25699945 11.1360277
151 2 0.0 12.7600774 1.7289382 3.01593575
152 1 0.0 13.20295735 1.27102945 2.24602285
153 1 0.0 12.30999615 2.56194075 2.69500825
154 2 0.0 0.8450569 10.7380776 3.0890446
155 1 0.0 0.8190696 9.95798895 3.7139922
156 1 0.0 15.582987 11.12804365 3.00403795
157 2 0.0 1.72596375 14.3509385 14.85299435
158 1 0.0 2.5940335 14.0810463 15.27004355
159 1 0.0 1.4549757 15.25000515 15.19803055
160 2 0.0 2.0780447 8.74503955 12.2960632
161 1 0.0 1.29106785 9.33304135 12.1110211
162 1 0.0 2.07193925 8.4740515 13.25900225
163 2 0.0 0.789012 11.7800744 14.5879552
164 1 0.0 1.0510767 12.7309591 14.7529589
165 1 0.0 15.4740282 11.73702315 14.34796405
166 2 0.0 4.0439996 12.41801565 15.4220536
167 1 0.0 4.08799015 11.59299715 0.3300074
168 1 0.0 3.4099721 12.26898005 14.66294265
169 2 0.0 7.57999445 13.86798175 11.08201795
170 1 0.0 7.21398055 13.4579773 11.91799495
171 1 0.0 7.52301025 13.20796695 10.33402205
172 2 0.0 8.96702745 11.0380274 0.92505395
173 1 0.0 8.294019 11.4870128 1.51305575
174 1 0.0 8.4950292 10.4719426 0.25001035
175 2 0.0 9.919008 1.05405115 10.12706295
176 1 0.0 8.9440146 1.27697835 10.1409959
177 1 0.0 10.24103135 0.9089293 11.0630754
178 2 0.0 14.7729973 2.61798565 4.78401145
179 1 0.0 14.09998885 2.4039818 4.0749965
180 1 0.0 14.318063 3.07699025 5.54703615
181 2 0.0 3.4040232 14.23399565 3.68503045
182 1 0.0 3.48495955 14.6840769 2.795983
183 1 0.0 3.36097195 13.24397345 3.5549374
184 2 0.0 14.40901855 6.4739687 9.5580037
185 1 0.0 14.41402815 6.15695495 10.5070098
186 1 0.0 13.46596135 6.62597875 9.2630635
187 2 0.0 8.60101355 1.57692815 5.5039849
188 1 0.0 8.58598475 2.5470685 5.74804635
189 1 0.0 8.35303835 1.47203965 4.54104585
190 2 0.0 0.8920219 12.8740458 8.68805535
191 1 0.0 0.69993505 13.8330711 8.89595375
192 1 0.0 1.1080609 12.7810551 7.7160364
193 2 0.0 6.96600535 13.21704685 4.1460702
194 1 0.0 6.2109647 13.14597315 3.49403945
195 1 0.0 6.64100755 13.65194275 4.98596095
196 2 0.0 8.59005505 3.8849448 7.0090566
197 1 0.0 7.912037 4.56202355 6.7210046
198 1 0.0 9.24098995 4.3120132 7.63697865
199 2 0.0 4.5089531 7.7260556 4.96592255
200 1 0.0 3.79304995 7.27597435 4.43396565
201 1 0.0 5.31001945 7.87900495 4.38606135
202 2 0.0 1.5479664 10.00401465 7.64104895
203 1 0.0 0.9790637 9.8050396 8.438045
204 1 0.0 1.70404675 10.98902725 7.57905515
205 2 0.0 8.7060586 2.8369991 12.62998435
206 1 0.0 8.32892965 3.2919334 11.8229691
207 1 0.0 8.3259552 3.25295245 13.45594215
208 2 0.0 4.51098825 9.2909294 2.2599558
209 1 0.0 5.3959654 8.89204 2.49900765
210 1 0.0 4.0189516 8.66895625 1.650037
211 2 0.0 14.21301795 5.79501135 2.3269592
212 1 0.0 14.5719871 6.50700075 1.7239286
213 1 0.0 14.505923 5.97504385 3.2659461
214 2 0.0 6.4580006 5.7710592 6.40900045
215 1 0.0 6.1949966 6.0359418 5.4820679
216 1 0.0 5.6370524 5.6480109 6.96694465
217 2 0.0 7.2529615 15.30698935 0.2680136
218 1 0.0 6.59498185 0.21494315 0.7680343
219 1 0.0 7.2720606 15.5889359 14.9639883
220 2 0.0 12.8070424 13.97099165 11.52693305
221 1 0.0 13.27904065 14.33199595 12.33097385
222 1 0.0 13.478955 13.72207715 10.82997245
223 2 0.0 12.42803485 8.2160571 14.10906875
224 1 0.0 11.7199592 8.78793425 13.6940547
225 1 0.0 12.57800975 8.50395255 15.05494385
226 2 0.0 7.4959271 0.37305865 13.2460086
227 1 0.0 7.2219646 15.60693915 12.38106985
228 1 0.0 7.7730206 1.3200296 13.0819442
229 2 0.0 6.932034 10.7130296 4.68100155
230 1 0.0 6.14192615 10.7440265 5.2929555
231 1 0.0 7.23902855 11.64403245 4.48406165
232 2 0.0 1.1130705 14.5710478 12.235948
233 1 0.0 0.84897065 13.6840355 11.8580363
234 1 0.0 1.47798855 14.44596435 13.1580275
235 2 0.0 4.42801675 12.08299865 9.8620238
236 1 0.0 5.4219527 11.97998875 9.88002705
237 1 0.0 4.01096755 11.23794175 9.5260675
238 2 0.0 7.91000185 9.1719514 14.94692435
239 1 0.0 7.8760305 8.53995905 0.0670034
240 1 0.0 7.1029866 9.0379446 14.37207275
241 2 0.0 7.4690005 6.51201035 11.42799345
242 1 0.0 7.4790197 5.52605845 11.26298975
243 1 0.0 6.5550616 6.79192175 11.72199435
244 2 0.0 14.1280113 2.6100016 10.47303845
245 1 0.0 13.5299903 2.0739744 9.8770526
246 1 0.0 14.4010345 2.053936 11.259076
247 2 0.0 10.7349466 14.36894175 8.93696985
248 1 0.0 11.5850131 13.9160426 9.20592275
249 1 0.0 10.62301335 15.20898905 9.46798745
250 2 0.0 2.66495065 0.9950318 11.3570763
251 1 0.0 3.30993665 0.56404965 10.72696255
252 1 0.0 2.06599035 0.2980712 11.7500168
253 2 0.0 9.991021 11.95494075 7.77693435
254 1 0.0 10.23696105 12.86606175 8.11007275
255 1 0.0 10.3930414 11.8120106 6.87207535
256 2 0.0 7.2739392 0.5820529 9.5630133
257 1 0.0 7.38305455 15.4699579 10.19500565
258 1 0.0 7.9280051 0.4909408 8.81204295
259 2 0.0 6.7820591 7.742963 3.05194225
260 1 0.0 6.97696385 6.77501435 2.8949226
261 1 0.0 7.6349435 8.2639614 3.01906675
262 2 0.0 4.91801825 0.84803135 0.7439256
263 1 0.0 4.67004305 1.39094675 15.5970765
264 1 0.0 4.4760776 1.23095265 1.55501115
265 2 0.0 13.67793005 14.55993275 8.37495535
266 1 0.0 14.56306375 15.0200332 8.4449332
267 1 0.0 13.44999325 14.4220122 7.411077
268 2 0.0 1.1340482 5.9479607 8.2160571
269 1 0.0 1.2389367 4.9670184 8.37996495
270 1 0.0 0.2789721 6.26497445 8.62606155
271 2 0.0 0.9909615 8.459962 4.7149729
272 1 0.0 1.1030513 9.03904045 5.52292745
273 1 0.0 0.33705215 7.7310652 4.9150438
274 2 0.0 4.69196005 9.94296015 6.33604815
275 1 0.0 3.91296725 10.1109383 6.94095735
276 1 0.0 4.63998545 9.011018 5.9780183
277 2 0.0 4.9300726 4.55607465 3.7709764
278 1 0.0 4.0699869 5.0549995 3.66405275
279 1 0.0 4.76898265 3.5799854 3.62303665
280 2 0.0 0.59692515 15.50799955 9.37092645
281 1 0.0 1.19901645 0.42503325 8.81298225
282 1 0.0 0.742047 0.0629331 10.3379358
283 2 0.0 15.00202995 1.15393005 12.5280703
284 1 0.0 15.62603825 1.7640054 13.01603665
285 1 0.0 15.49704105 0.3359563 12.2350087
286 2 0.0 9.5539334 8.0260054 11.0499252
287 1 0.0 8.82394075 7.3659906 10.87599815
288 1 0.0 9.44794905 8.4070481 11.9679344
289 2 0.0 10.74293065 12.29496735 12.4310093
290 1 0.0 10.6939305 11.70994 11.6219589
291 1 0.0 11.280993 13.1110625 12.2199799
292 2 0.0 14.02296625 11.90296615 2.8689353
293 1 0.0 14.602984 12.68696855 3.09201905
294 1 0.0 13.1270306 12.22702465 2.56601105
295 2 0.0 14.98105225 6.1990669 4.84099565
296 1 0.0 14.07306225 6.08995155 5.24395535
297 1 0.0 15.5310124 5.3859462 5.03198665
298 2 0.0 6.65102675 12.80093695 1.3770138
299 1 0.0 6.90996045 13.7519782 1.2079398
300 1 0.0 5.81504975 12.58896825 0.86994835
301 2 0.0 2.46206185 6.4179238 3.847999
302 1 0.0 1.93292285 7.25906695 3.95993225
303 1 0.0 1.8610664 5.6270332 3.96400255
304 2 0.0 1.5260494 5.60902995 13.1840148
305 1 0.0 1.7799735 6.5240647 13.4949231
306 1 0.0 2.33901355 5.1329614 12.8489978
307 2 0.0 8.6399945 15.1700081 7.38493315
308 1 0.0 9.45295865 15.03396615 7.95101795
309 1 0.0 8.87403675 0.08500665 6.597017
310 2 0.0 9.9449953 9.69592425 13.29594805
311 1 0.0 9.15300885 9.61295275 13.9010138
312 1 0.0 9.90100475 10.56602915 12.80594655
313 2 0.0 4.2860259 6.97101495 12.0339985
314 1 0.0 3.3620678 7.3400033 11.9319279
315 1 0.0 4.48093065 6.34794595 11.2769227
316 2 0.0 7.4730708 5.1739775 2.72694445
317 1 0.0 7.82703035 4.31905795 2.3469976
318 1 0.0 6.68202365 4.9779769 3.3060229
319 2 0.0 0.89593565 15.64200635 5.7059344
320 1 0.0 0.3359563 0.72905335 5.33694605
321 1 0.0 1.6099602 0.36898835 6.2939362
322 2 0.0 12.02194415 9.3200477 4.30496845
323 1 0.0 11.95901105 10.2809516 4.57298205
324 1 0.0 12.9479374 9.12295125 3.98404095
325 2 0.0 7.2830191 11.77396895 9.0949288
326 1 0.0 7.10001215 10.79803625 9.21500265
327 1 0.0 8.1759803 11.89607795 8.66206805
328 2 0.0 5.2550704 9.35902865 13.78093995
329 1 0.0 4.62495665 8.6450041 13.4770764
330 1 0.0 4.87105325 10.25699945 13.5650575
331 2 0.0 10.31805395 10.6980008 10.23696105
332 1 0.0 9.9860114 9.80206515 10.53096195
333 1 0.0 10.50497465 10.6779624 9.2549229
334 2 0.0 3.34093355 11.67001975 3.30993665
335 1 0.0 2.4299691 11.39104765 3.61207815
336 1 0.0 3.86193195 10.8630045 3.0329997
337 2 0.0 8.30795195 3.0749551 1.2940423
338 1 0.0 7.65795635 3.1519777 0.5369665
339 1 0.0 9.24098995 3.1410192 0.9399262
340 2 0.0 1.3720042 4.01503785 4.4770169
341 1 0.0 2.0010221 3.8489383 5.2359713
342 1 0.0 0.64796045 3.32402615 4.48594025
343 2 0.0 13.4520284 3.30993665 7.1029866
344 1 0.0 13.1379891 2.70596675 7.8350144
345 1 0.0 12.66505155 3.76299235 6.6840588
346 2 0.0 2.89194815 5.8599796 0.9480668
347 1 0.0 2.44703305 4.9820472 0.7749225
348 1 0.0 2.8529672 6.0659994 1.92603465
349 2 0.0 4.1839553 15.54306675 13.4410699
350 1 0.0 4.7030751 14.68892995 13.43199
351 1 0.0 3.92298645 0.1299365 12.50599675
352 2 0.0 3.31901655 3.6770464 11.88292775
353 1 0.0 3.91797685 4.15593285 11.2399769
354 1 0.0 3.0680669 2.78705965 11.50407675
355 2 0.0 2.12798415 9.9750529 0.4029597
356 1 0.0 1.4740748 10.4760129 15.4909356
357 1 0.0 2.0880639 10.31805395 1.3410073
358 2 0.0 11.13900215 0.5219377 5.3389812
359 1 0.0 10.31805395 1.08097775 5.4570199
360 1 0.0 11.6360484 0.8259578 4.52695635
361 2 0.0 3.4650777 9.4859907 9.681052
362 1 0.0 2.7039316 9.41006395 9.0370053
363 1 0.0 3.20097785 9.0839703 10.5580451
364 2 0.0 13.7050132 11.9779536 14.0240621
365 1 0.0 13.39801865 11.6360484 13.13595395
366 1 0.0 13.31504715 11.4149998 14.7520196
367 2 0.0 13.6840355 9.7239467 0.644986
368 1 0.0 13.83792415 10.71193375 0.65203075
369 1 0.0 14.49793895 9.2580539 0.9909615
370 2 0.0 0.2019495 12.1329381 11.33907305
371 1 0.0 0.3049594 12.2960632 10.3579742
372 1 0.0 15.52396765 11.20193525 11.4879521
373 2 0.0 11.31903465 11.9159598 5.3189428
374 1 0.0 11.9309886 12.61902585 5.6799471
375 1 0.0 10.7700138 12.29997695 4.5759565
376 2 0.0 14.71397795 3.8060436 0.2000709
377 1 0.0 14.07995045 3.54507475 15.1280527
378 1 0.0 14.2829958 4.49001055 0.789012
379 2 0.0 10.8839822 12.3630666 15.1640592
380 1 0.0 10.16901835 11.78492745 15.55997415
381 1 0.0 10.8229277 12.33097385 14.16699225
382 2 0.0 4.48594025 2.4919629 14.0760367
383 1 0.0 4.3420708 3.09201905 13.287964
384 1 0.0 4.31905795 1.5429568 13.80598795