# LAMMPS data file written by OVITO Basic 3.10.6

192 atoms
2 atom types

-6.3579264219 6.3579264219 xlo xhi
-6.3579264219 6.3579264219 ylo yhi
-6.3579264219 6.3579264219 zlo zhi

Masses

1 15.9994  # O 8
2 1.008  # H 9

Atoms  # atomic

80 2 -4.9666093738 -4.7278503508 -4.1954486832 2 0 0
1 1 0.7903679406 -2.6439401692 -3.2435790371 -1 0 0
164 2 3.997610539 -4.0188525932 -1.5600626618 -1 1 0
133 1 -1.3194842475 -0.5906577945 -4.3077779663 0 1 2
107 2 4.1803479473 -2.4312965867 -3.3886571676 0 -1 -1
21 2 5.0796469833 -1.8997694971 -5.133645082 -1 2 -1
90 2 5.9465589922 -4.8976240925 -0.2497503126 0 0 1
93 2 -3.3782582275 -5.0146083435 -5.5636146655 0 0 0
53 2 -1.6073441233 -4.9973739445 -3.8306945513 -1 -1 0
52 1 -1.362357516 -4.5475971661 -2.9482766017 -1 -1 0
3 2 0.2271888121 -3.4177678869 -2.8936536694 -1 0 0
2 2 0.2430078686 -1.7979890594 -3.3513041384 -1 0 0
165 2 5.1962017749 -5.1139733922 -1.9782169174 -1 1 0
149 2 3.8703463129 -3.8948613372 -5.0785979205 -1 2 0
190 1 -0.3037078608 -5.3173134952 -6.0458210727 1 0 1
25 1 -5.6560332075 -2.2380095147 -2.3532116669 0 0 0
106 1 3.5814446883 -2.8540086863 -2.6871987501 0 -1 -1
79 1 -5.7539373739 -4.6504338156 -3.5571737273 2 0 0
54 2 -1.2733821971 -5.2402526798 -2.2051890376 -1 -1 0
20 2 4.0821816849 -0.6164178606 -4.6657074106 -1 2 -1
91 1 -3.0414211711 -5.6179464201 -4.8143830557 0 0 0
163 1 4.6933753568 -4.6815537664 -1.2043377153 -1 1 0
17 2 5.8951784012 -6.1646621982 -3.3508568016 0 -1 0
27 2 -6.0443678296 -2.0250641449 -1.4306387244 0 0 0
4 1 -3.9635127991 -2.1682234761 -4.4441346437 1 1 1
117 2 3.5015545928 -5.7433012023 -1.0705028849 0 1 0
10 1 0.5982437594 -4.6005313738 -0.3750135387 -1 1 0
5 2 -4.3663843804 -1.6655442228 -5.2259260403 1 1 1
26 2 -5.9835685472 -1.5041996822 -2.9761265036 0 0 0
45 2 -0.366783531 -0.8993784536 -1.0165805593 -1 0 1
134 2 -1.1229398916 -0.2268154359 -5.2385023671 0 1 2
108 2 2.7277764909 -2.3209413418 -2.5282103098 0 -1 -1
19 1 4.9738719952 -1.0924483284 -4.514935955 -1 2 -1
135 2 -2.0177861949 -1.3289964048 -4.3884112018 0 1 2
6 2 -4.6519263005 -2.1690774954 -3.6889555646 1 1 1
43 1 -0.6069461856 -1.2205851912 -0.0811509537 -1 0 1
11 2 -0.3893786834 -4.4390193859 -0.1634835164 -1 1 0
191 2 0.5832403021 -4.9623396448 -5.6913124162 1 0 1
81 2 -5.5662214284 -3.905410583 -2.8808573366 2 0 0
44 2 -1.1602666967 -2.0678479917 -0.2162029653 -1 0 1
9 2 -2.5314722657 -3.9666680624 -0.8428960475 0 0 0
148 1 4.8314956805 -3.6839805071 -5.3397194994 -1 2 0
150 2 5.2905894326 -4.5993473632 -5.3796819129 -1 2 0
131 2 3.3436977036 -6.2178378949 -4.0856243801 -1 2 0
116 2 2.0567386054 -6.1461856498 -0.414389665 0 1 0
73 1 5.3849377167 -6.2584360981 -6.297097229 -1 1 1
86 2 -1.620040198 -2.7661586597 4.7902261181 1 1 -1
128 2 -4.7061697759 -4.1445942779 2.3721149205 -2 -1 2
121 1 -1.868264142 -1.0121214696 4.6434155681 -1 0 -2
104 2 -6.3018803091 -5.0590575354 3.8426063958 1 1 -1
162 2 -3.3700580219 -6.1519869948 4.654570593 1 1 -1
34 1 3.4498606249 -0.2875663552 1.5207080002 1 -1 0
122 2 -1.1712162041 -1.1790999075 3.9086150921 -1 0 -2
123 2 -1.5730777348 -0.350161477 5.3633379668 -1 0 -2
38 2 1.9162565179 -4.5990268963 4.4366349054 0 0 0
100 1 1.894813319 -2.8609296152 1.4548477648 0 0 0
103 1 -5.8658550871 -4.1362061258 3.8544543732 1 1 -1
60 2 -3.0483156245 -3.9039314719 5.1981539348 1 0 0
64 1 5.0529908611 -0.185666113 3.9110667988 -1 0 -1
71 2 5.7001981458 -1.8444416084 0.8679773958 0 0 0
58 1 -3.8516560867 -4.2342130338 5.7295454876 1 0 0
39 2 1.2682688098 -4.3405571062 2.933775853 0 0 0
42 2 -4.3808607149 -1.0173009984 2.3411735044 1 0 0
14 2 -5.714489826 -2.4015556885 6.0787144778 1 1 -1
15 2 -4.8873020922 -1.4711988475 4.8856996662 1 1 -1
13 1 -5.4141538678 -1.4728923 5.7678185554 1 1 -1
137 2 4.4124569443 -1.8654707216 4.5970198123 0 1 0
66 2 4.3611943058 -0.04724172 3.1694543559 -1 0 -1
70 1 -6.0902188799 -1.9198639082 0.4537793762 1 0 0
101 2 2.9042263826 -2.8068142629 1.5330791456 0 0 0
129 2 -3.3971399173 -3.1695989082 2.4617823776 -2 -1 2
59 2 -4.7145970273 -4.1362438184 5.1966309315 1 0 0
136 1 4.1729364171 -2.8576076457 4.6598732083 0 1 0
89 2 -5.6696848582 -4.1172804743 0.8039789269 1 0 1
41 2 -3.3634430003 -1.5286380974 3.6751383143 1 0 0
12 2 1.2000755169 -3.9000057804 0.0574885433 -1 1 0
192 2 -0.5219408636 -4.9250542563 5.7562743346 1 0 0
102 2 1.4877835689 -2.7148559898 2.3727320998 0 0 0
127 1 -3.7165377558 -4.0748479452 2.132819351 -2 -1 2
94 1 0.3142632733 -0.6736054682 2.7012600829 0 0 2
40 1 -4.2621632237 -1.5577350311 3.1925099248 1 0 0
85 1 -1.6595164156 -3.6427145306 4.2663095202 1 1 -1
87 2 -0.6879740495 -3.7387833767 3.9765173858 1 1 -1
37 1 1.0778469964 -4.3183966449 3.9264884754 0 0 0
72 2 -5.5458270287 -1.0922356727 0.6934570898 1 0 0
138 2 4.4345401913 -3.1992774215 5.5786596423 0 1 0
105 2 6.1446578918 -3.5249291725 4.2596311322 0 1 -1
8 2 -2.7129878234 -3.8402928886 0.797031269 0 0 0
88 1 -6.0095623198 -4.9994792047 0.4285485032 1 0 1
161 2 -3.0882577777 -6.2385897358 3.0274651885 1 1 -1
96 2 0.0824428362 -0.9081690501 1.7329754065 0 0 2
36 2 2.5859070491 -0.6851638883 1.1540004607 1 -1 0
120 2 1.0554446208 -0.148978799 5.2282176601 1 0 -1
7 1 -2.0851326639 -3.6348859936 0.0129119343 0 0 0
170 2 5.6835908718 5.027855642 -1.4595554106 0 -1 0
57 2 -5.0568769441 4.006923817 -5.715950746 0 0 1
124 1 -0.25496597 0.7252702394 -2.3501016505 0 0 0
31 1 -0.2541699582 3.592112726 -1.847817025 0 -1 0
126 2 0.7498429393 0.9044508236 -2.3679551088 0 0 0
98 2 2.2248662153 2.6637607408 -3.089739896 0 -1 0
146 2 -2.6482611419 5.881229372 -1.3876329826 1 0 2
179 2 -4.1738254061 4.7579457917 -1.5774523068 2 0 -1
130 1 2.4329291529 6.0610647829 -4.1753398316 -1 1 0
74 2 5.975297062 5.7383434743 -5.8743142057 -1 0 1
56 2 6.2716716371 3.247113396 -6.3429172848 -1 0 1
49 1 -3.5736440365 1.9694636058 -3.1037369803 0 0 -1
144 2 1.1765231589 3.4907709644 -0.9775181198 0 -1 0
30 2 -3.7175119026 4.9912729823 -4.0709908183 1 0 0
33 2 -0.4341420751 2.5894386934 -1.9272801207 0 -1 0
125 2 -0.5552152069 0.1917722569 -3.1696961501 0 0 0
156 2 1.0818803406 3.1926584242 -5.9258281509 0 -1 -1
139 1 5.0136114727 1.6629194415 -0.6659859164 -1 1 -1
99 2 2.9329606496 1.5662121684 -2.0536069422 0 -1 0
145 1 -1.837417238 6.334173678 -0.9738812676 1 0 2
29 2 -3.5539982939 3.3531658593 -4.1500230984 1 0 0
16 1 5.2809686645 5.7514283456 -3.1998327662 0 -2 0
28 1 -3.835513286 4.1812114397 -4.6783135765 1 0 0
32 2 -1.0068946362 4.0879132135 -1.3786429968 0 -1 0
76 1 0.9552844006 3.835153902 -4.2358054881 0 -1 1
78 2 0.3572741823 3.8375062903 -3.4094411251 0 -1 1
47 2 5.7708724747 0.1356506143 -3.7264268298 -2 -1 1
114 2 -3.4749496702 3.4050095975 -6.2824981153 1 -1 0
50 2 -3.6966358057 2.3556964861 -2.1615046095 0 0 -1
55 1 -6.0370558574 4.1166389519 -6.0103372703 0 0 1
97 1 2.3468575484 1.6719295316 -2.8779245233 0 -1 0
51 2 -3.1456063298 1.05480403 -3.0042774625 0 0 -1
77 2 1.625811065 4.6136088282 -4.225917179 0 -1 1
140 2 5.0624739547 2.6410753271 -0.3810799517 -1 1 -1
141 2 5.5767082378 1.4811496663 -1.50024299 -1 1 -1
178 1 -4.012363044 5.5145755211 -2.2363067566 2 0 -1
169 1 5.6061977946 4.4477507165 -0.620920747 0 -1 0
48 2 -5.5139008285 1.1349892701 -3.5336203485 -1 -1 1
46 1 6.3459242533 0.7522121621 -3.1367311883 -2 -1 1
142 1 1.9166482373 3.6272572708 -0.2852800549 0 -1 0
143 2 2.4239658135 4.4650087942 -0.6032846988 0 -1 0
183 2 3.145452148 1.1650620765 -5.92300779 0 -1 1
18 2 5.3502162527 5.2041098562 -4.0492936398 0 -2 0
180 2 -4.7938364731 6.1545853286 -2.3374504419 2 0 -1
182 2 2.5561792262 0.9964874967 -4.349738614 0 -1 1
181 1 2.7040982123 0.5289057869 -5.2497738491 0 -1 1
115 1 2.849614916 6.1998850734 -0.9415668947 0 0 0
61 1 -3.676899794 2.7085910331 -0.6082039276 1 0 -1
119 2 0.8626382748 0.4464069451 -5.9093828603 1 0 0
62 2 -4.2123697123 1.9621175843 -0.1717005196 1 0 -1
132 2 1.9338416381 6.1409469325 -3.2903253415 -1 1 0
92 2 -2.5671582431 6.3009628601 -5.2179032544 0 -1 0
147 2 -1.6885683619 6.087930039 -0.0029208001 1 0 2
171 2 4.8856226966 4.857981531 -0.0435450097 0 -1 0
151 1 0.2059890494 1.7555014218 1.0133218698 0 0 -1
185 2 -2.2898144578 4.3839194407 2.4981674482 1 0 0
23 2 1.9048092627 1.7637867119 2.7277501421 0 1 0
174 2 -4.9144546747 1.4447607906 5.7862168575 0 1 0
159 2 6.0272765092 5.707999011 2.8296088155 -1 0 0
84 2 2.4291390167 4.8178733134 1.6029234065 0 0 0
173 2 -5.9066859967 0.0733624243 5.6862593089 0 1 0
160 1 -3.1130032051 5.9469678676 3.8910483821 1 0 -1
186 2 -1.0995557735 3.52050225 1.6268860807 1 0 0
189 2 -5.9803853512 4.7608830147 0.678030941 0 -1 0
167 2 -5.923928327 1.2089422565 0.6115494383 1 0 0
113 2 -2.7089703432 3.1656889359 4.982618678 1 -1 -1
158 2 4.5662003304 6.1776680378 3.5249461008 -1 0 0
65 2 6.0107978822 0.1320049323 3.7788603608 -1 0 -1
24 2 1.9097122512 2.3264655712 4.3431963683 0 1 0
22 1 2.4433298149 1.9336723009 3.5716195104 0 1 0
175 1 1.978887292 5.7161104419 5.135064202 -1 0 1
176 2 2.3241013774 5.5996616517 6.0868579982 -1 0 1
110 2 5.2342490205 1.8917116969 5.6561975885 -1 0 0
63 2 -3.2478787782 3.238495419 0.1462405513 1 0 -1
188 2 -5.3043036038 5.9747195818 1.6079232917 0 -1 0
166 1 -5.2452975345 0.7338194969 1.2051452625 1 0 0
67 1 -4.3485072258 2.9251167495 2.7421748512 1 -1 0
168 2 -4.7869325346 1.3463550454 1.8865275733 1 0 0
75 2 5.4197790201 6.3066229562 5.4066429638 -1 0 0
184 1 -1.7990708668 4.2603104007 1.6085504616 1 0 0
112 1 -3.4933288413 2.8835423843 5.558119513 1 -1 -1
83 2 2.6741486776 5.7344273466 3.1061481801 0 0 0
109 1 4.326229477 2.3133215866 5.875125581 -1 0 0
177 2 1.0801653496 5.248337005 5.1578059579 -1 0 1
95 2 0.2748409459 0.3287194639 2.8066495194 0 0 2
152 2 -0.0790941359 1.2784231264 0.168325008 0 0 -1
111 2 3.7608509188 2.1390273248 5.0423405234 -1 0 0
68 2 -4.776446745 3.7693594364 2.3481354085 1 -1 0
157 1 5.5785197774 6.1805660661 3.6175694417 -1 0 0
82 1 2.7973923793 5.6180892609 2.1028861907 0 0 0
155 2 0.8314849231 1.9174832441 5.707420168 0 -1 -2
187 1 -5.6698273749 5.0231573146 1.6129428569 0 -1 0
153 2 0.7340811054 2.5824840964 0.7407662665 0 0 -1
35 2 3.7834284914 0.4655057617 0.9271786599 1 -1 0
69 2 -4.3925418629 3.0125461182 3.7558076268 1 -1 0
172 1 -5.8500762328 1.0952339347 5.606193935 0 1 0
154 1 0.9718094772 2.9224833168 5.8038275038 0 -1 -2
118 1 0.4002140888 0.1865532795 5.9354825622 1 0 -1

Velocities

80 -0.0063732775 0.001557146 -0.0038407744
1 4.202242351e-04 -0.0024471986 0.0070363245
164 -0.00670243 -0.0115389726 -0.0046683892
133 -0.0042115001 -0.0018382478 -0.007040198
107 -0.0051022431 -4.8958178034e-04 -0.0100017069
21 -0.021243131 0.0058678396 0.004059572
90 0.0025103722 -0.0108318264 -0.0105032807
93 0.0060241267 0.0213508203 0.0137329279
53 -0.0025164053 -0.0142973211 0.0105784796
52 -4.1033741141e-04 -9.4646509489e-04 0.0025945764
3 -7.2712221411e-05 -0.0105025271 -0.0117732321
2 -0.0124472561 -0.0163128379 -0.0039997595
165 0.0131612612 0.0095911353 0.0023498832
149 0.0014441403 -0.053450707 0.0080223543
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25 -0.0037222102 -0.002672934 0.0012150756
106 0.0060521525 -0.0076964959 -0.0024497843
79 -0.0030660651 8.3584918326e-04 -0.0034468539
54 0.0051371072 0.0180248614 0.0241283774
20 -0.0122760241 -2.1250339379e-05 0.0111274379
91 7.3451120521e-04 0.0052205586 5.2515489238e-04
163 0.0063202316 -4.7474803312e-04 -1.7649067626e-04
17 0.0020157126 -0.0037756266 0.0027730002
27 0.0011111007 0.0111238144 -0.0039394524
4 -2.072422425e-04 9.3582909625e-04 -0.0019654947
117 -0.0012324526 -3.6551703041e-04 -0.0214935719
10 0.0024174025 9.558972641e-04 -0.00423638
5 0.0027221626 -0.0127956243 -0.0093528282
26 -0.016621402 -0.0195309058 -0.0127811363
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134 -0.0054202205 0.0037824728 -0.0077061597
108 0.0037643345 -0.0061520706 0.0064420187
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6 -4.1746711753e-04 0.0049549576 -0.0051355871
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81 -0.0203523227 0.0026024133 0.0024074514
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9 -0.0016016756 0.0073008232 0.0075254339
148 -0.0014036013 -0.0059599375 0.0032847725
150 0.0047173153 1.9055252638e-07 0.009004976
131 -0.0121024102 0.0202804258 -7.2925115678e-04
116 0.0030274724 -0.0059402712 0.0035729317
73 -0.0032116603 0.0077708113 -0.0017467083
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128 -2.2122210266e-04 0.0409685713 0.0380381826
121 -0.0012132141 0.0030509157 -5.1360949694e-05
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34 -0.002027127 -0.00471246 -0.0058474412
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38 -0.0164121557 0.0116683552 0.0358552399
100 1.4151161225e-05 4.4808711845e-05 -0.0035272342
103 -0.0055460114 -0.0028313617 0.002158206
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58 -4.2117712734e-04 -0.003902133 0.0080888507
39 -0.0064774115 -0.0319163074 0.0039237714
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70 -0.0012226736 -2.2559845418e-04 4.4810258564e-04
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129 0.0141741431 9.8034881375e-04 -0.008292688
59 0.0101673727 0.0178220854 -0.0047719775
136 6.1217352223e-04 -0.001982599 -0.003124025
89 -0.0022662124 -0.0073861981 0.0044721678
41 -1.7172001344e-05 0.0048623085 0.0128636081
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192 4.0063106321e-04 0.0257389796 0.0013579929
102 -0.0114167512 -3.3644038904e-04 -0.0061791992
127 -0.0066524651 3.214987449e-04 7.6172358953e-04
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37 -0.0024211021 0.0057566307 5.9947355204e-04
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8 -0.0014421742 0.0066565487 0.0069674939
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120 0.0124644777 -0.0346499668 0.0343150834
7 -3.0645164251e-04 -0.0057363132 0.0101728955
170 0.0212572621 7.0469706064e-04 0.0051878305
57 -0.0100511222 -0.0095518175 0.0102223458
124 0.0035142221 -7.2799382838e-04 6.1500697445e-04
31 -6.1344461254e-04 -8.5874930766e-04 0.0018618156
126 -0.0015211206 0.0193554733 -0.0088475478
98 0.0010250045 0.0111129578 0.0454143188
146 -0.0105221121 0.0137431283 0.0127808009
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130 0.0062231203 -0.0073409296 0.0038063141
74 0.0051574044 -0.0012517501 -0.0229882401
56 0.0302220231 -0.0158157249 5.8826109265e-04
49 -0.0011422412 -0.0028458528 -0.0011078873
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30 -0.005231257 0.004085644 0.0045046378
33 -0.0075203542 0.0052936598 -0.0213145933
125 -0.0016705142 0.0202077097 -0.0171898244
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