Homec4science
Diffusion lammps (lammm-devel) Browse

lammps/examples/USER/gle/data.h2o-smart
ff3961492620lammm-devel

Last Change
Raw File

data.h2o-smart
View Options

LAMMPS Description
192 atoms
128 bonds
64 angles
2 atom types
1 bond types
1 angle types
0 12.4244 xlo xhi
0 12.4244 ylo yhi
0 12.4244 zlo zhi
Masses
1 15.9994
2 1.0080
Atoms
1 1 1 -1.1128 8.86513 6.50301 11.1215
2 1 2 0.5564 8.52058 6.51069 12.0107
3 1 2 0.5564 9.73292 6.09508 11.2526
4 2 1 -1.1128 9.05787 9.80828 0.453392
5 2 2 0.5564 8.22649 9.80782 12.3546
6 2 2 0.5564 9.80351 9.66305 -0.208053
7 3 1 -1.1128 4.23375 5.28342 5.67304
8 3 2 0.5564 3.60994 4.92777 5.02871
9 3 2 0.5564 4.50635 6.13517 5.40338
10 4 1 -1.1128 6.21096 12.2552 3.66754
11 4 2 0.5564 6.20319 0.564156 4.30128
12 4 2 0.5564 5.31537 -0.211162 3.27457
13 5 1 -1.1128 6.27524 1.05357 6.25378
14 5 2 0.5564 5.97436 0.104128 6.32852
15 5 2 0.5564 7.17146 1.06086 6.6686
16 6 1 -1.1128 1.41387 8.60864 3.04723
17 6 2 0.5564 1.36167 9.55156 3.30972
18 6 2 0.5564 1.88976 8.16823 3.71568
19 7 1 -1.1128 5.65789 7.27871 0.675859
20 7 2 0.5564 5.22017 6.63589 0.0220462
21 7 2 0.5564 4.9566 7.81544 1.12112
22 8 1 -1.1128 4.54049 5.62429 11.3503
23 8 2 0.5564 4.95651 4.79604 11.6764
24 8 2 0.5564 4.75003 5.53662 10.4124
25 9 1 -1.1128 0.0357293 6.79462 1.09795
26 9 2 0.5564 0.764984 6.25671 0.729692
27 9 2 0.5564 0.398995 7.26473 1.84945
28 10 1 -1.1128 3.73879 11.7896 2.45256
29 10 2 0.5564 3.25689 11.8508 3.28928
30 10 2 0.5564 3.06412 12.1365 1.77828
31 11 1 -1.1128 0.733014 8.95618 7.27028
32 11 2 0.5564 0.723334 8.45792 8.11845
33 11 2 0.5564 1.12924 8.33399 6.70365
34 12 1 -1.1128 11.2296 5.4197 10.2164
35 12 2 0.5564 11.2577 5.10321 9.24584
36 12 2 0.5564 11.4722 4.62602 10.6757
37 13 1 -1.1128 1.53967 4.95849 7.18948
38 13 2 0.5564 1.8789 4.35583 7.8984
39 13 2 0.5564 0.608435 4.87129 7.33376
40 14 1 -1.1128 5.1947 12.5859 11.8774
41 14 2 0.5564 4.46194 12.0024 11.7898
42 14 2 0.5564 5.80099 12.2456 12.546
43 15 1 -1.1128 10.5412 2.76093 3.67184
44 15 2 0.5564 11.3799 3.11072 3.52772
45 15 2 0.5564 10.563 2.45666 4.54578
46 16 1 -1.1128 1.73543 7.17931 5.39112
47 16 2 0.5564 1.91249 6.54484 6.05494
48 16 2 0.5564 0.898627 6.82487 5.08822
49 17 1 -1.1128 6.87701 9.70187 4.33691
50 17 2 0.5564 7.70642 9.45046 3.96212
51 17 2 0.5564 6.83065 10.6638 4.25228
52 18 1 -1.1128 8.92386 10.1505 7.40099
53 18 2 0.5564 9.6028 9.55793 7.03583
54 18 2 0.5564 8.36947 9.56599 7.93738
55 19 1 -1.1128 10.7838 1.90181 6.1556
56 19 2 0.5564 10.1121 1.49819 6.72011
57 19 2 0.5564 11.5351 1.72067 6.69358
58 20 1 -1.1128 5.22783 4.00686 2.30248
59 20 2 0.5564 6.03237 4.08521 2.81982
60 20 2 0.5564 5.29018 3.53411 1.48143
61 21 1 -1.1128 5.1255 6.30308 8.38297
62 21 2 0.5564 5.80642 5.61756 8.36337
63 21 2 0.5564 4.49042 6.02633 7.77831
64 22 1 -1.1128 0.456225 1.61205 8.05675
65 22 2 0.5564 12.3985 1.63196 8.89843
66 22 2 0.5564 0.669755 0.625552 7.93095
67 23 1 -1.1128 8.78204 3.47199 0.076822
68 23 2 0.5564 8.20208 3.78377 0.746958
69 23 2 0.5564 8.28968 3.16447 11.7589
70 24 1 -1.1128 1.67255 11.5254 7.29289
71 24 2 0.5564 2.51694 11.7572 7.64726
72 24 2 0.5564 1.48757 10.6287 7.53131
73 25 1 -1.1128 1.36438 1.59044 3.66326
74 25 2 0.5564 1.54732 1.22395 2.81009
75 25 2 0.5564 1.0748 0.873519 4.17498
76 26 1 -1.1128 8.68978 0.747241 7.37904
77 26 2 0.5564 8.34918 0.921581 8.25393
78 26 2 0.5564 9.03623 12.2696 7.32181
79 27 1 -1.1128 4.07302 8.75514 6.87138
80 27 2 0.5564 4.30648 9.67762 6.98005
81 27 2 0.5564 3.81444 8.53543 7.76682
82 28 1 -1.1128 0.498442 3.85131 2.44479
83 28 2 0.5564 0.654284 3.03859 2.87031
84 28 2 0.5564 1.08581 4.48476 2.77137
85 29 1 -1.1128 1.63216 11.1043 4.63999
86 29 2 0.5564 1.74395 11.2234 5.57249
87 29 2 0.5564 0.71674 10.8001 4.53404
88 30 1 -1.1128 11.5014 1.217 10.5144
89 30 2 0.5564 10.5822 0.941987 10.5757
90 30 2 0.5564 11.6066 1.98194 11.1386
91 31 1 -1.1128 7.55596 0.146718 1.26086
92 31 2 0.5564 7.94987 11.7571 1.04352
93 31 2 0.5564 7.13822 12.3769 2.11599
94 32 1 -1.1128 6.87857 7.72155 6.54145
95 32 2 0.5564 7.13577 8.37632 5.94078
96 32 2 0.5564 5.97091 7.92075 6.7216
97 33 1 -1.1128 7.98221 5.29258 6.00376
98 33 2 0.5564 8.90952 5.41124 5.92656
99 33 2 0.5564 7.65247 6.20723 6.04411
100 34 1 -1.1128 5.61611 10.9355 6.81126
101 34 2 0.5564 6.3635 10.4793 6.4826
102 34 2 0.5564 5.91944 11.1844 7.65744
103 35 1 -1.1128 1.79063 0.357214 1.05418
104 35 2 0.5564 1.05772 12.2079 0.738618
105 35 2 0.5564 1.95381 1.00282 0.368886
106 36 1 -1.1128 10.283 6.56704 2.57175
107 36 2 0.5564 9.66342 6.32249 1.9527
108 36 2 0.5564 11.0301 6.48605 1.98027
109 37 1 -1.1128 2.29066 2.50849 11.7843
110 37 2 0.5564 2.30707 2.65802 10.8279
111 37 2 0.5564 2.08157 3.32622 12.2032
112 38 1 -1.1128 7.22713 2.54623 10.3964
113 38 2 0.5564 6.38721 2.71192 10.8609
114 38 2 0.5564 7.45209 3.33938 9.85995
115 39 1 -1.1128 10.7133 8.70352 6.19095
116 39 2 0.5564 10.8198 9.24969 5.39195
117 39 2 0.5564 11.5241 8.79995 6.66893
118 40 1 -1.1128 12.0009 11.3518 0.188623
119 40 2 0.5564 11.8489 11.8263 11.7273
120 40 2 0.5564 11.56 11.9678 0.744819
121 41 1 -1.1128 7.61335 4.87892 8.98635
122 41 2 0.5564 7.85804 5.20645 8.12669
123 41 2 0.5564 8.15313 5.43109 9.58001
124 42 1 -1.1128 9.39966 9.10424 3.19316
125 42 2 0.5564 9.19216 9.32972 2.26589
126 42 2 0.5564 9.74663 8.19457 3.03816
127 43 1 -1.1128 6.11081 12.2932 9.25628
128 43 2 0.5564 5.67422 12.0305 10.043
129 43 2 0.5564 6.21129 0.844639 9.1939
130 44 1 -1.1128 8.97738 0.134346 10.8519
131 44 2 0.5564 8.40655 11.9149 10.4785
132 44 2 0.5564 8.47207 0.738628 11.4181
133 45 1 -1.1128 10.7375 6.12596 5.40262
134 45 2 0.5564 10.8148 7.03385 5.66877
135 45 2 0.5564 10.4732 5.98903 4.50726
136 46 1 -1.1128 2.82886 5.33802 3.15512
137 46 2 0.5564 3.11524 6.11162 3.56613
138 46 2 0.5564 3.65296 4.90135 2.80211
139 47 1 -1.1128 11.6231 8.82265 11.4438
140 47 2 0.5564 11.819 8.02875 11.9429
141 47 2 0.5564 11.8469 9.63915 11.9102
142 48 1 -1.1128 2.19692 5.19202 0.491763
143 48 2 0.5564 2.39793 5.22904 1.41049
144 48 2 0.5564 2.94426 5.69482 12.5872
145 49 1 -1.1128 3.2934 9.11364 1.14779
146 49 2 0.5564 3.48755 9.9774 1.43232
147 49 2 0.5564 2.74822 8.84893 1.90735
148 50 1 -1.1128 11.0888 11.0014 4.04966
149 50 2 0.5564 10.8783 11.7175 3.45291
150 50 2 0.5564 10.4637 10.4168 3.67478
151 51 1 -1.1128 3.29782 10.6098 11.2721
152 51 2 0.5564 2.6956 10.1813 11.864
153 51 2 0.5564 3.76606 9.88932 10.814
154 52 1 -1.1128 5.13617 2.83976 12.0473
155 52 2 0.5564 4.18254 2.70967 11.9863
156 52 2 0.5564 5.27756 1.87132 12.1452
157 53 1 -1.1128 6.66623 9.75029 11.8529
158 53 2 0.5564 6.31534 8.89812 12.1986
159 53 2 0.5564 6.88088 9.58863 10.9274
160 54 1 -1.1128 7.88075 4.2119 3.43441
161 54 2 0.5564 7.75928 4.34627 4.37886
162 54 2 0.5564 8.7682 3.90483 3.35374
163 55 1 -1.1128 7.54613 8.66296 9.30776
164 55 2 0.5564 7.02865 8.21384 8.62233
165 55 2 0.5564 8.05196 7.92786 9.66664
166 56 1 -1.1128 0.717537 7.54331 9.62718
167 56 2 0.5564 0.228081 8.2104 10.1055
168 56 2 0.5564 0.266932 6.74044 9.75009
169 57 1 -1.1128 10.5911 0.623171 1.86585
170 57 2 0.5564 10.652 1.45208 2.38684
171 57 2 0.5564 9.78343 0.698423 1.36337
172 58 1 -1.1128 7.93821 5.95801 1.38449
173 58 2 0.5564 7.76139 5.53649 2.1924
174 58 2 0.5564 7.06409 6.24918 1.11729
175 59 1 -1.1128 4.8218 3.10597 7.52133
176 59 2 0.5564 5.28023 2.33452 7.06232
177 59 2 0.5564 4.47203 3.74386 6.87543
178 60 1 -1.1128 4.4969 8.0484 4.27005
179 60 2 0.5564 3.94006 8.53827 4.87021
180 60 2 0.5564 5.25564 8.64729 4.08205
181 61 1 -1.1128 11.3005 4.66456 7.61812
182 61 2 0.5564 11.3399 3.7543 7.37966
183 61 2 0.5564 11.0493 5.09573 6.78297
184 62 1 -1.1128 11.5109 3.59638 12.1578
185 62 2 0.5564 12.1289 3.87653 0.487116
186 62 2 0.5564 10.5423 3.58518 -0.0920222
187 63 1 -1.1128 2.56634 3.00384 9.02131
188 63 2 0.5564 3.42446 2.78551 8.62822
189 63 2 0.5564 1.89297 2.4127 8.70038
190 64 1 -1.1128 3.35696 8.13279 9.54455
191 64 2 0.5564 2.45954 7.80111 9.73658
192 64 2 0.5564 3.86673 7.38722 9.75374
Bonds
1 1 1 2
2 1 1 3
3 1 4 5
4 1 4 6
5 1 7 8
6 1 7 9
7 1 10 11
8 1 10 12
9 1 13 14
10 1 13 15
11 1 16 17
12 1 16 18
13 1 19 20
14 1 19 21
15 1 22 23
16 1 22 24
17 1 25 26
18 1 25 27
19 1 28 29
20 1 28 30
21 1 31 32
22 1 31 33
23 1 34 35
24 1 34 36
25 1 37 38
26 1 37 39
27 1 40 41
28 1 40 42
29 1 43 44
30 1 43 45
31 1 46 47
32 1 46 48
33 1 49 50
34 1 49 51
35 1 52 53
36 1 52 54
37 1 55 56
38 1 55 57
39 1 58 59
40 1 58 60
41 1 61 62
42 1 61 63
43 1 64 65
44 1 64 66
45 1 67 68
46 1 67 69
47 1 70 71
48 1 70 72
49 1 73 74
50 1 73 75
51 1 76 77
52 1 76 78
53 1 79 80
54 1 79 81
55 1 82 83
56 1 82 84
57 1 85 86
58 1 85 87
59 1 88 89
60 1 88 90
61 1 91 92
62 1 91 93
63 1 94 95
64 1 94 96
65 1 97 98
66 1 97 99
67 1 100 101
68 1 100 102
69 1 103 104
70 1 103 105
71 1 106 107
72 1 106 108
73 1 109 110
74 1 109 111
75 1 112 113
76 1 112 114
77 1 115 116
78 1 115 117
79 1 118 119
80 1 118 120
81 1 121 122
82 1 121 123
83 1 124 125
84 1 124 126
85 1 127 128
86 1 127 129
87 1 130 131
88 1 130 132
89 1 133 134
90 1 133 135
91 1 136 137
92 1 136 138
93 1 139 140
94 1 139 141
95 1 142 143
96 1 142 144
97 1 145 146
98 1 145 147
99 1 148 149
100 1 148 150
101 1 151 152
102 1 151 153
103 1 154 155
104 1 154 156
105 1 157 158
106 1 157 159
107 1 160 161
108 1 160 162
109 1 163 164
110 1 163 165
111 1 166 167
112 1 166 168
113 1 169 170
114 1 169 171
115 1 172 173
116 1 172 174
117 1 175 176
118 1 175 177
119 1 178 179
120 1 178 180
121 1 181 182
122 1 181 183
123 1 184 185
124 1 184 186
125 1 187 188
126 1 187 189
127 1 190 191
128 1 190 192
Angles
1 1 2 1 3
2 1 5 4 6
3 1 8 7 9
4 1 11 10 12
5 1 14 13 15
6 1 17 16 18
7 1 20 19 21
8 1 23 22 24
9 1 26 25 27
10 1 29 28 30
11 1 32 31 33
12 1 35 34 36
13 1 38 37 39
14 1 41 40 42
15 1 44 43 45
16 1 47 46 48
17 1 50 49 51
18 1 53 52 54
19 1 56 55 57
20 1 59 58 60
21 1 62 61 63
22 1 65 64 66
23 1 68 67 69
24 1 71 70 72
25 1 74 73 75
26 1 77 76 78
27 1 80 79 81
28 1 83 82 84
29 1 86 85 87
30 1 89 88 90
31 1 92 91 93
32 1 95 94 96
33 1 98 97 99
34 1 101 100 102
35 1 104 103 105
36 1 107 106 108
37 1 110 109 111
38 1 113 112 114
39 1 116 115 117
40 1 119 118 120
41 1 122 121 123
42 1 125 124 126
43 1 128 127 129
44 1 131 130 132
45 1 134 133 135
46 1 137 136 138
47 1 140 139 141
48 1 143 142 144
49 1 146 145 147
50 1 149 148 150
51 1 152 151 153
52 1 155 154 156
53 1 158 157 159
54 1 161 160 162
55 1 164 163 165
56 1 167 166 168
57 1 170 169 171
58 1 173 172 174
59 1 176 175 177
60 1 179 178 180
61 1 182 181 183
62 1 185 184 186
63 1 188 187 189
64 1 191 190 192
c4science · Help