197 lines
15 KiB
Plaintext
197 lines
15 KiB
Plaintext
para-Hydrogen density=0.023500
|
|
|
|
180 atoms
|
|
|
|
1 atom types
|
|
|
|
0.000000 19.712190 xlo xhi
|
|
0.000000 19.712190 ylo yhi
|
|
0.000000 19.712190 zlo zhi
|
|
|
|
Masses
|
|
|
|
1 0.5
|
|
|
|
Atoms
|
|
|
|
1 1 1 0.0 0.000000 0.000000 0.000000
|
|
2 2 1 0.0 0.000000 0.000000 3.285365
|
|
3 3 1 0.0 0.000000 0.000000 6.570730
|
|
4 4 1 0.0 0.000000 0.000000 9.856095
|
|
5 5 1 0.0 0.000000 0.000000 13.141460
|
|
6 6 1 0.0 0.000000 0.000000 16.426825
|
|
7 7 1 0.0 0.000000 3.285365 0.000000
|
|
8 8 1 0.0 0.000000 3.285365 3.285365
|
|
9 9 1 0.0 0.000000 3.285365 6.570730
|
|
10 10 1 0.0 0.000000 3.285365 9.856095
|
|
11 11 1 0.0 0.000000 3.285365 13.141460
|
|
12 12 1 0.0 0.000000 3.285365 16.426825
|
|
13 13 1 0.0 0.000000 6.570730 0.000000
|
|
14 14 1 0.0 0.000000 6.570730 3.285365
|
|
15 15 1 0.0 0.000000 6.570730 6.570730
|
|
16 16 1 0.0 0.000000 6.570730 9.856095
|
|
17 17 1 0.0 0.000000 6.570730 13.141460
|
|
18 18 1 0.0 0.000000 6.570730 16.426825
|
|
19 19 1 0.0 0.000000 9.856095 0.000000
|
|
20 20 1 0.0 0.000000 9.856095 3.285365
|
|
21 21 1 0.0 0.000000 9.856095 6.570730
|
|
22 22 1 0.0 0.000000 9.856095 9.856095
|
|
23 23 1 0.0 0.000000 9.856095 13.141460
|
|
24 24 1 0.0 0.000000 9.856095 16.426825
|
|
25 25 1 0.0 0.000000 13.141460 0.000000
|
|
26 26 1 0.0 0.000000 13.141460 3.285365
|
|
27 27 1 0.0 0.000000 13.141460 6.570730
|
|
28 28 1 0.0 0.000000 13.141460 9.856095
|
|
29 29 1 0.0 0.000000 13.141460 13.141460
|
|
30 30 1 0.0 0.000000 13.141460 16.426825
|
|
31 31 1 0.0 0.000000 16.426825 0.000000
|
|
32 32 1 0.0 0.000000 16.426825 3.285365
|
|
33 33 1 0.0 0.000000 16.426825 6.570730
|
|
34 34 1 0.0 0.000000 16.426825 9.856095
|
|
35 35 1 0.0 0.000000 16.426825 13.141460
|
|
36 36 1 0.0 0.000000 16.426825 16.426825
|
|
37 37 1 0.0 3.942438 0.000000 0.000000
|
|
38 38 1 0.0 3.942438 0.000000 3.285365
|
|
39 39 1 0.0 3.942438 0.000000 6.570730
|
|
40 40 1 0.0 3.942438 0.000000 9.856095
|
|
41 41 1 0.0 3.942438 0.000000 13.141460
|
|
42 42 1 0.0 3.942438 0.000000 16.426825
|
|
43 43 1 0.0 3.942438 3.285365 0.000000
|
|
44 44 1 0.0 3.942438 3.285365 3.285365
|
|
45 45 1 0.0 3.942438 3.285365 6.570730
|
|
46 46 1 0.0 3.942438 3.285365 9.856095
|
|
47 47 1 0.0 3.942438 3.285365 13.141460
|
|
48 48 1 0.0 3.942438 3.285365 16.426825
|
|
49 49 1 0.0 3.942438 6.570730 0.000000
|
|
50 50 1 0.0 3.942438 6.570730 3.285365
|
|
51 51 1 0.0 3.942438 6.570730 6.570730
|
|
52 52 1 0.0 3.942438 6.570730 9.856095
|
|
53 53 1 0.0 3.942438 6.570730 13.141460
|
|
54 54 1 0.0 3.942438 6.570730 16.426825
|
|
55 55 1 0.0 3.942438 9.856095 0.000000
|
|
56 56 1 0.0 3.942438 9.856095 3.285365
|
|
57 57 1 0.0 3.942438 9.856095 6.570730
|
|
58 58 1 0.0 3.942438 9.856095 9.856095
|
|
59 59 1 0.0 3.942438 9.856095 13.141460
|
|
60 60 1 0.0 3.942438 9.856095 16.426825
|
|
61 61 1 0.0 3.942438 13.141460 0.000000
|
|
62 62 1 0.0 3.942438 13.141460 3.285365
|
|
63 63 1 0.0 3.942438 13.141460 6.570730
|
|
64 64 1 0.0 3.942438 13.141460 9.856095
|
|
65 65 1 0.0 3.942438 13.141460 13.141460
|
|
66 66 1 0.0 3.942438 13.141460 16.426825
|
|
67 67 1 0.0 3.942438 16.426825 0.000000
|
|
68 68 1 0.0 3.942438 16.426825 3.285365
|
|
69 69 1 0.0 3.942438 16.426825 6.570730
|
|
70 70 1 0.0 3.942438 16.426825 9.856095
|
|
71 71 1 0.0 3.942438 16.426825 13.141460
|
|
72 72 1 0.0 3.942438 16.426825 16.426825
|
|
73 73 1 0.0 7.884876 0.000000 0.000000
|
|
74 74 1 0.0 7.884876 0.000000 3.285365
|
|
75 75 1 0.0 7.884876 0.000000 6.570730
|
|
76 76 1 0.0 7.884876 0.000000 9.856095
|
|
77 77 1 0.0 7.884876 0.000000 13.141460
|
|
78 78 1 0.0 7.884876 0.000000 16.426825
|
|
79 79 1 0.0 7.884876 3.285365 0.000000
|
|
80 80 1 0.0 7.884876 3.285365 3.285365
|
|
81 81 1 0.0 7.884876 3.285365 6.570730
|
|
82 82 1 0.0 7.884876 3.285365 9.856095
|
|
83 83 1 0.0 7.884876 3.285365 13.141460
|
|
84 84 1 0.0 7.884876 3.285365 16.426825
|
|
85 85 1 0.0 7.884876 6.570730 0.000000
|
|
86 86 1 0.0 7.884876 6.570730 3.285365
|
|
87 87 1 0.0 7.884876 6.570730 6.570730
|
|
88 88 1 0.0 7.884876 6.570730 9.856095
|
|
89 89 1 0.0 7.884876 6.570730 13.141460
|
|
90 90 1 0.0 7.884876 6.570730 16.426825
|
|
91 91 1 0.0 7.884876 9.856095 0.000000
|
|
92 92 1 0.0 7.884876 9.856095 3.285365
|
|
93 93 1 0.0 7.884876 9.856095 6.570730
|
|
94 94 1 0.0 7.884876 9.856095 9.856095
|
|
95 95 1 0.0 7.884876 9.856095 13.141460
|
|
96 96 1 0.0 7.884876 9.856095 16.426825
|
|
97 97 1 0.0 7.884876 13.141460 0.000000
|
|
98 98 1 0.0 7.884876 13.141460 3.285365
|
|
99 99 1 0.0 7.884876 13.141460 6.570730
|
|
100 100 1 0.0 7.884876 13.141460 9.856095
|
|
101 101 1 0.0 7.884876 13.141460 13.141460
|
|
102 102 1 0.0 7.884876 13.141460 16.426825
|
|
103 103 1 0.0 7.884876 16.426825 0.000000
|
|
104 104 1 0.0 7.884876 16.426825 3.285365
|
|
105 105 1 0.0 7.884876 16.426825 6.570730
|
|
106 106 1 0.0 7.884876 16.426825 9.856095
|
|
107 107 1 0.0 7.884876 16.426825 13.141460
|
|
108 108 1 0.0 7.884876 16.426825 16.426825
|
|
109 109 1 0.0 11.827314 0.000000 0.000000
|
|
110 110 1 0.0 11.827314 0.000000 3.285365
|
|
111 111 1 0.0 11.827314 0.000000 6.570730
|
|
112 112 1 0.0 11.827314 0.000000 9.856095
|
|
113 113 1 0.0 11.827314 0.000000 13.141460
|
|
114 114 1 0.0 11.827314 0.000000 16.426825
|
|
115 115 1 0.0 11.827314 3.285365 0.000000
|
|
116 116 1 0.0 11.827314 3.285365 3.285365
|
|
117 117 1 0.0 11.827314 3.285365 6.570730
|
|
118 118 1 0.0 11.827314 3.285365 9.856095
|
|
119 119 1 0.0 11.827314 3.285365 13.141460
|
|
120 120 1 0.0 11.827314 3.285365 16.426825
|
|
121 121 1 0.0 11.827314 6.570730 0.000000
|
|
122 122 1 0.0 11.827314 6.570730 3.285365
|
|
123 123 1 0.0 11.827314 6.570730 6.570730
|
|
124 124 1 0.0 11.827314 6.570730 9.856095
|
|
125 125 1 0.0 11.827314 6.570730 13.141460
|
|
126 126 1 0.0 11.827314 6.570730 16.426825
|
|
127 127 1 0.0 11.827314 9.856095 0.000000
|
|
128 128 1 0.0 11.827314 9.856095 3.285365
|
|
129 129 1 0.0 11.827314 9.856095 6.570730
|
|
130 130 1 0.0 11.827314 9.856095 9.856095
|
|
131 131 1 0.0 11.827314 9.856095 13.141460
|
|
132 132 1 0.0 11.827314 9.856095 16.426825
|
|
133 133 1 0.0 11.827314 13.141460 0.000000
|
|
134 134 1 0.0 11.827314 13.141460 3.285365
|
|
135 135 1 0.0 11.827314 13.141460 6.570730
|
|
136 136 1 0.0 11.827314 13.141460 9.856095
|
|
137 137 1 0.0 11.827314 13.141460 13.141460
|
|
138 138 1 0.0 11.827314 13.141460 16.426825
|
|
139 139 1 0.0 11.827314 16.426825 0.000000
|
|
140 140 1 0.0 11.827314 16.426825 3.285365
|
|
141 141 1 0.0 11.827314 16.426825 6.570730
|
|
142 142 1 0.0 11.827314 16.426825 9.856095
|
|
143 143 1 0.0 11.827314 16.426825 13.141460
|
|
144 144 1 0.0 11.827314 16.426825 16.426825
|
|
145 145 1 0.0 15.769752 0.000000 0.000000
|
|
146 146 1 0.0 15.769752 0.000000 3.285365
|
|
147 147 1 0.0 15.769752 0.000000 6.570730
|
|
148 148 1 0.0 15.769752 0.000000 9.856095
|
|
149 149 1 0.0 15.769752 0.000000 13.141460
|
|
150 150 1 0.0 15.769752 0.000000 16.426825
|
|
151 151 1 0.0 15.769752 3.285365 0.000000
|
|
152 152 1 0.0 15.769752 3.285365 3.285365
|
|
153 153 1 0.0 15.769752 3.285365 6.570730
|
|
154 154 1 0.0 15.769752 3.285365 9.856095
|
|
155 155 1 0.0 15.769752 3.285365 13.141460
|
|
156 156 1 0.0 15.769752 3.285365 16.426825
|
|
157 157 1 0.0 15.769752 6.570730 0.000000
|
|
158 158 1 0.0 15.769752 6.570730 3.285365
|
|
159 159 1 0.0 15.769752 6.570730 6.570730
|
|
160 160 1 0.0 15.769752 6.570730 9.856095
|
|
161 161 1 0.0 15.769752 6.570730 13.141460
|
|
162 162 1 0.0 15.769752 6.570730 16.426825
|
|
163 163 1 0.0 15.769752 9.856095 0.000000
|
|
164 164 1 0.0 15.769752 9.856095 3.285365
|
|
165 165 1 0.0 15.769752 9.856095 6.570730
|
|
166 166 1 0.0 15.769752 9.856095 9.856095
|
|
167 167 1 0.0 15.769752 9.856095 13.141460
|
|
168 168 1 0.0 15.769752 9.856095 16.426825
|
|
169 169 1 0.0 15.769752 13.141460 0.000000
|
|
170 170 1 0.0 15.769752 13.141460 3.285365
|
|
171 171 1 0.0 15.769752 13.141460 6.570730
|
|
172 172 1 0.0 15.769752 13.141460 9.856095
|
|
173 173 1 0.0 15.769752 13.141460 13.141460
|
|
174 174 1 0.0 15.769752 13.141460 16.426825
|
|
175 175 1 0.0 15.769752 16.426825 0.000000
|
|
176 176 1 0.0 15.769752 16.426825 3.285365
|
|
177 177 1 0.0 15.769752 16.426825 6.570730
|
|
178 178 1 0.0 15.769752 16.426825 9.856095
|
|
179 179 1 0.0 15.769752 16.426825 13.141460
|
|
180 180 1 0.0 15.769752 16.426825 16.426825
|