Simple One-component simulation: Lennard-Jones argon

This is a sample meta-data (MD) file which OpenMD can use to simulate a simple 500 atom Argon liquid using the Lennard-Jones force field. OpenMD meta-data files come in structured sections, which are delineated by opening and closing tags. The two major sections are the MetaData and Snapshot sections:

<OpenMD version=”1″>
<MetaData>
// first define an argon molecule (pretty simple, just one atom at the origin):
molecule{
name = “Ar”;

atom[0]{
type=”Ar”;
position( 0.0, 0.0, 0.0 );
}
}

// all MD files must include at least one component to simulate
component{
type = “Ar”;
nMol = 500;
}
// assignment statements:
forceField = “LJ”; // basic Lennard-Jones force field
targetTemp = 178.5; // corresponds to T* = 1.5
cutoffMethod = “shifted_force”;
cutoffRadius = 9.5;

ensemble = “NVE”; // microcanonical ensemble
dt = 1.0; // all times in OpenMD are measured in femtoseconds
runTime = 1e4;

sampleTime = 1000;
statusTime = 1;

// the following two statements will re-sample velocities from a Maxwell-Boltzmann
// distribution every 10 ps
thermalTime = 10000.0;
tempSet = “true”;

</MetaData>
<Snapshot>
<FrameData>
Time: 10000
Hmat: {{ 30.482111, 0, 0 }, { 0, 30.482111, 0 }, { 0, 0, 30.482111 }}
Thermostat: 0 , 0
Barostat: {{ 0, 0, 0 }, { 0, 0, 0 }, { 0, 0, 0 }}
</FrameData>
<StuntDoubles>
0 pv 0 0 0 0 0 0
1 pv 6.096422 0 0 0 0 0
2 pv 12.192844 0 0 0 0 0
3 pv 18.289266 0 0 0 0 0
4 pv 24.385688 0 0 0 0 0
5 pv 0 6.096422 0 0 0 0
6 pv 6.096422 6.096422 0 0 0 0
7 pv 12.192844 6.096422 0 0 0 0
8 pv 18.289266 6.096422 0 0 0 0
9 pv 24.385688 6.096422 0 0 0 0
10 pv 0 12.192844 0 0 0 0
11 pv 6.096422 12.192844 0 0 0 0
12 pv 12.192844 12.192844 0 0 0 0
13 pv 18.289266 12.192844 0 0 0 0
14 pv 24.385688 12.192844 0 0 0 0
15 pv 0 18.289266 0 0 0 0
16 pv 6.096422 18.289266 0 0 0 0
17 pv 12.192844 18.289266 0 0 0 0
18 pv 18.289266 18.289266 0 0 0 0
19 pv 24.385688 18.289266 0 0 0 0
20 pv 0 24.385688 0 0 0 0
21 pv 6.096422 24.385688 0 0 0 0
22 pv 12.192844 24.385688 0 0 0 0
23 pv 18.289266 24.385688 0 0 0 0
24 pv 24.385688 24.385688 0 0 0 0
25 pv 0 0 6.096422 0 0 0
26 pv 6.096422 0 6.096422 0 0 0
27 pv 12.192844 0 6.096422 0 0 0
28 pv 18.289266 0 6.096422 0 0 0
29 pv 24.385688 0 6.096422 0 0 0
30 pv 0 6.096422 6.096422 0 0 0
31 pv 6.096422 6.096422 6.096422 0 0 0
32 pv 12.192844 6.096422 6.096422 0 0 0
33 pv 18.289266 6.096422 6.096422 0 0 0
34 pv 24.385688 6.096422 6.096422 0 0 0
35 pv 0 12.192844 6.096422 0 0 0
36 pv 6.096422 12.192844 6.096422 0 0 0
37 pv 12.192844 12.192844 6.096422 0 0 0
38 pv 18.289266 12.192844 6.096422 0 0 0
39 pv 24.385688 12.192844 6.096422 0 0 0
40 pv 0 18.289266 6.096422 0 0 0
41 pv 6.096422 18.289266 6.096422 0 0 0
42 pv 12.192844 18.289266 6.096422 0 0 0
43 pv 18.289266 18.289266 6.096422 0 0 0
44 pv 24.385688 18.289266 6.096422 0 0 0
45 pv 0 24.385688 6.096422 0 0 0
46 pv 6.096422 24.385688 6.096422 0 0 0
47 pv 12.192844 24.385688 6.096422 0 0 0
48 pv 18.289266 24.385688 6.096422 0 0 0
49 pv 24.385688 24.385688 6.096422 0 0 0
50 pv 0 0 12.192844 0 0 0
51 pv 6.096422 0 12.192844 0 0 0
52 pv 12.192844 0 12.192844 0 0 0
53 pv 18.289266 0 12.192844 0 0 0
54 pv 24.385688 0 12.192844 0 0 0
55 pv 0 6.096422 12.192844 0 0 0
56 pv 6.096422 6.096422 12.192844 0 0 0
57 pv 12.192844 6.096422 12.192844 0 0 0
58 pv 18.289266 6.096422 12.192844 0 0 0
59 pv 24.385688 6.096422 12.192844 0 0 0
60 pv 0 12.192844 12.192844 0 0 0
61 pv 6.096422 12.192844 12.192844 0 0 0
62 pv 12.192844 12.192844 12.192844 0 0 0
63 pv 18.289266 12.192844 12.192844 0 0 0
64 pv 24.385688 12.192844 12.192844 0 0 0
65 pv 0 18.289266 12.192844 0 0 0
66 pv 6.096422 18.289266 12.192844 0 0 0
67 pv 12.192844 18.289266 12.192844 0 0 0
68 pv 18.289266 18.289266 12.192844 0 0 0
69 pv 24.385688 18.289266 12.192844 0 0 0
70 pv 0 24.385688 12.192844 0 0 0
71 pv 6.096422 24.385688 12.192844 0 0 0
72 pv 12.192844 24.385688 12.192844 0 0 0
73 pv 18.289266 24.385688 12.192844 0 0 0
74 pv 24.385688 24.385688 12.192844 0 0 0
75 pv 0 0 18.289266 0 0 0
76 pv 6.096422 0 18.289266 0 0 0
77 pv 12.192844 0 18.289266 0 0 0
78 pv 18.289266 0 18.289266 0 0 0
79 pv 24.385688 0 18.289266 0 0 0
80 pv 0 6.096422 18.289266 0 0 0
81 pv 6.096422 6.096422 18.289266 0 0 0
82 pv 12.192844 6.096422 18.289266 0 0 0
83 pv 18.289266 6.096422 18.289266 0 0 0
84 pv 24.385688 6.096422 18.289266 0 0 0
85 pv 0 12.192844 18.289266 0 0 0
86 pv 6.096422 12.192844 18.289266 0 0 0
87 pv 12.192844 12.192844 18.289266 0 0 0
88 pv 18.289266 12.192844 18.289266 0 0 0
89 pv 24.385688 12.192844 18.289266 0 0 0
90 pv 0 18.289266 18.289266 0 0 0
91 pv 6.096422 18.289266 18.289266 0 0 0
92 pv 12.192844 18.289266 18.289266 0 0 0
93 pv 18.289266 18.289266 18.289266 0 0 0
94 pv 24.385688 18.289266 18.289266 0 0 0
95 pv 0 24.385688 18.289266 0 0 0
96 pv 6.096422 24.385688 18.289266 0 0 0
97 pv 12.192844 24.385688 18.289266 0 0 0
98 pv 18.289266 24.385688 18.289266 0 0 0
99 pv 24.385688 24.385688 18.289266 0 0 0
100 pv 0 0 24.385688 0 0 0
101 pv 6.096422 0 24.385688 0 0 0
102 pv 12.192844 0 24.385688 0 0 0
103 pv 18.289266 0 24.385688 0 0 0
104 pv 24.385688 0 24.385688 0 0 0
105 pv 0 6.096422 24.385688 0 0 0
106 pv 6.096422 6.096422 24.385688 0 0 0
107 pv 12.192844 6.096422 24.385688 0 0 0
108 pv 18.289266 6.096422 24.385688 0 0 0
109 pv 24.385688 6.096422 24.385688 0 0 0
110 pv 0 12.192844 24.385688 0 0 0
111 pv 6.096422 12.192844 24.385688 0 0 0
112 pv 12.192844 12.192844 24.385688 0 0 0
113 pv 18.289266 12.192844 24.385688 0 0 0
114 pv 24.385688 12.192844 24.385688 0 0 0
115 pv 0 18.289266 24.385688 0 0 0
116 pv 6.096422 18.289266 24.385688 0 0 0
117 pv 12.192844 18.289266 24.385688 0 0 0
118 pv 18.289266 18.289266 24.385688 0 0 0
119 pv 24.385688 18.289266 24.385688 0 0 0
120 pv 0 24.385688 24.385688 0 0 0
121 pv 6.096422 24.385688 24.385688 0 0 0
122 pv 12.192844 24.385688 24.385688 0 0 0
123 pv 18.289266 24.385688 24.385688 0 0 0
124 pv 24.385688 24.385688 24.385688 0 0 0
125 pv 3.048211 3.048211 0 0 0 0
126 pv 9.144633 3.048211 0 0 0 0
127 pv 15.241055 3.048211 0 0 0 0
128 pv 21.337477 3.048211 0 0 0 0
129 pv 27.433899 3.048211 0 0 0 0
130 pv 3.048211 9.144633 0 0 0 0
131 pv 9.144633 9.144633 0 0 0 0
132 pv 15.241055 9.144633 0 0 0 0
133 pv 21.337477 9.144633 0 0 0 0
134 pv 27.433899 9.144633 0 0 0 0
135 pv 3.048211 15.241055 0 0 0 0
136 pv 9.144633 15.241055 0 0 0 0
137 pv 15.241055 15.241055 0 0 0 0
138 pv 21.337477 15.241055 0 0 0 0
139 pv 27.433899 15.241055 0 0 0 0
140 pv 3.048211 21.337477 0 0 0 0
141 pv 9.144633 21.337477 0 0 0 0
142 pv 15.241055 21.337477 0 0 0 0
143 pv 21.337477 21.337477 0 0 0 0
144 pv 27.433899 21.337477 0 0 0 0
145 pv 3.048211 27.433899 0 0 0 0
146 pv 9.144633 27.433899 0 0 0 0
147 pv 15.241055 27.433899 0 0 0 0
148 pv 21.337477 27.433899 0 0 0 0
149 pv 27.433899 27.433899 0 0 0 0
150 pv 3.048211 3.048211 6.096422 0 0 0
151 pv 9.144633 3.048211 6.096422 0 0 0
152 pv 15.241055 3.048211 6.096422 0 0 0
153 pv 21.337477 3.048211 6.096422 0 0 0
154 pv 27.433899 3.048211 6.096422 0 0 0
155 pv 3.048211 9.144633 6.096422 0 0 0
156 pv 9.144633 9.144633 6.096422 0 0 0
157 pv 15.241055 9.144633 6.096422 0 0 0
158 pv 21.337477 9.144633 6.096422 0 0 0
159 pv 27.433899 9.144633 6.096422 0 0 0
160 pv 3.048211 15.241055 6.096422 0 0 0
161 pv 9.144633 15.241055 6.096422 0 0 0
162 pv 15.241055 15.241055 6.096422 0 0 0
163 pv 21.337477 15.241055 6.096422 0 0 0
164 pv 27.433899 15.241055 6.096422 0 0 0
165 pv 3.048211 21.337477 6.096422 0 0 0
166 pv 9.144633 21.337477 6.096422 0 0 0
167 pv 15.241055 21.337477 6.096422 0 0 0
168 pv 21.337477 21.337477 6.096422 0 0 0
169 pv 27.433899 21.337477 6.096422 0 0 0
170 pv 3.048211 27.433899 6.096422 0 0 0
171 pv 9.144633 27.433899 6.096422 0 0 0
172 pv 15.241055 27.433899 6.096422 0 0 0
173 pv 21.337477 27.433899 6.096422 0 0 0
174 pv 27.433899 27.433899 6.096422 0 0 0
175 pv 3.048211 3.048211 12.192844 0 0 0
176 pv 9.144633 3.048211 12.192844 0 0 0
177 pv 15.241055 3.048211 12.192844 0 0 0
178 pv 21.337477 3.048211 12.192844 0 0 0
179 pv 27.433899 3.048211 12.192844 0 0 0
180 pv 3.048211 9.144633 12.192844 0 0 0
181 pv 9.144633 9.144633 12.192844 0 0 0
182 pv 15.241055 9.144633 12.192844 0 0 0
183 pv 21.337477 9.144633 12.192844 0 0 0
184 pv 27.433899 9.144633 12.192844 0 0 0
185 pv 3.048211 15.241055 12.192844 0 0 0
186 pv 9.144633 15.241055 12.192844 0 0 0
187 pv 15.241055 15.241055 12.192844 0 0 0
188 pv 21.337477 15.241055 12.192844 0 0 0
189 pv 27.433899 15.241055 12.192844 0 0 0
190 pv 3.048211 21.337477 12.192844 0 0 0
191 pv 9.144633 21.337477 12.192844 0 0 0
192 pv 15.241055 21.337477 12.192844 0 0 0
193 pv 21.337477 21.337477 12.192844 0 0 0
194 pv 27.433899 21.337477 12.192844 0 0 0
195 pv 3.048211 27.433899 12.192844 0 0 0
196 pv 9.144633 27.433899 12.192844 0 0 0
197 pv 15.241055 27.433899 12.192844 0 0 0
198 pv 21.337477 27.433899 12.192844 0 0 0
199 pv 27.433899 27.433899 12.192844 0 0 0
200 pv 3.048211 3.048211 18.289266 0 0 0
201 pv 9.144633 3.048211 18.289266 0 0 0
202 pv 15.241055 3.048211 18.289266 0 0 0
203 pv 21.337477 3.048211 18.289266 0 0 0
204 pv 27.433899 3.048211 18.289266 0 0 0
205 pv 3.048211 9.144633 18.289266 0 0 0
206 pv 9.144633 9.144633 18.289266 0 0 0
207 pv 15.241055 9.144633 18.289266 0 0 0
208 pv 21.337477 9.144633 18.289266 0 0 0
209 pv 27.433899 9.144633 18.289266 0 0 0
210 pv 3.048211 15.241055 18.289266 0 0 0
211 pv 9.144633 15.241055 18.289266 0 0 0
212 pv 15.241055 15.241055 18.289266 0 0 0
213 pv 21.337477 15.241055 18.289266 0 0 0
214 pv 27.433899 15.241055 18.289266 0 0 0
215 pv 3.048211 21.337477 18.289266 0 0 0
216 pv 9.144633 21.337477 18.289266 0 0 0
217 pv 15.241055 21.337477 18.289266 0 0 0
218 pv 21.337477 21.337477 18.289266 0 0 0
219 pv 27.433899 21.337477 18.289266 0 0 0
220 pv 3.048211 27.433899 18.289266 0 0 0
221 pv 9.144633 27.433899 18.289266 0 0 0
222 pv 15.241055 27.433899 18.289266 0 0 0
223 pv 21.337477 27.433899 18.289266 0 0 0
224 pv 27.433899 27.433899 18.289266 0 0 0
225 pv 3.048211 3.048211 24.385688 0 0 0
226 pv 9.144633 3.048211 24.385688 0 0 0
227 pv 15.241055 3.048211 24.385688 0 0 0
228 pv 21.337477 3.048211 24.385688 0 0 0
229 pv 27.433899 3.048211 24.385688 0 0 0
230 pv 3.048211 9.144633 24.385688 0 0 0
231 pv 9.144633 9.144633 24.385688 0 0 0
232 pv 15.241055 9.144633 24.385688 0 0 0
233 pv 21.337477 9.144633 24.385688 0 0 0
234 pv 27.433899 9.144633 24.385688 0 0 0
235 pv 3.048211 15.241055 24.385688 0 0 0
236 pv 9.144633 15.241055 24.385688 0 0 0
237 pv 15.241055 15.241055 24.385688 0 0 0
238 pv 21.337477 15.241055 24.385688 0 0 0
239 pv 27.433899 15.241055 24.385688 0 0 0
240 pv 3.048211 21.337477 24.385688 0 0 0
241 pv 9.144633 21.337477 24.385688 0 0 0
242 pv 15.241055 21.337477 24.385688 0 0 0
243 pv 21.337477 21.337477 24.385688 0 0 0
244 pv 27.433899 21.337477 24.385688 0 0 0
245 pv 3.048211 27.433899 24.385688 0 0 0
246 pv 9.144633 27.433899 24.385688 0 0 0
247 pv 15.241055 27.433899 24.385688 0 0 0
248 pv 21.337477 27.433899 24.385688 0 0 0
249 pv 27.433899 27.433899 24.385688 0 0 0
250 pv 3.048211 0 3.048211 0 0 0
251 pv 9.144633 0 3.048211 0 0 0
252 pv 15.241055 0 3.048211 0 0 0
253 pv 21.337477 0 3.048211 0 0 0
254 pv 27.433899 0 3.048211 0 0 0
255 pv 3.048211 6.096422 3.048211 0 0 0
256 pv 9.144633 6.096422 3.048211 0 0 0
257 pv 15.241055 6.096422 3.048211 0 0 0
258 pv 21.337477 6.096422 3.048211 0 0 0
259 pv 27.433899 6.096422 3.048211 0 0 0
260 pv 3.048211 12.192844 3.048211 0 0 0
261 pv 9.144633 12.192844 3.048211 0 0 0
262 pv 15.241055 12.192844 3.048211 0 0 0
263 pv 21.337477 12.192844 3.048211 0 0 0
264 pv 27.433899 12.192844 3.048211 0 0 0
265 pv 3.048211 18.289266 3.048211 0 0 0
266 pv 9.144633 18.289266 3.048211 0 0 0
267 pv 15.241055 18.289266 3.048211 0 0 0
268 pv 21.337477 18.289266 3.048211 0 0 0
269 pv 27.433899 18.289266 3.048211 0 0 0
270 pv 3.048211 24.385688 3.048211 0 0 0
271 pv 9.144633 24.385688 3.048211 0 0 0
272 pv 15.241055 24.385688 3.048211 0 0 0
273 pv 21.337477 24.385688 3.048211 0 0 0
274 pv 27.433899 24.385688 3.048211 0 0 0
275 pv 3.048211 0 9.144633 0 0 0
276 pv 9.144633 0 9.144633 0 0 0
277 pv 15.241055 0 9.144633 0 0 0
278 pv 21.337477 0 9.144633 0 0 0
279 pv 27.433899 0 9.144633 0 0 0
280 pv 3.048211 6.096422 9.144633 0 0 0
281 pv 9.144633 6.096422 9.144633 0 0 0
282 pv 15.241055 6.096422 9.144633 0 0 0
283 pv 21.337477 6.096422 9.144633 0 0 0
284 pv 27.433899 6.096422 9.144633 0 0 0
285 pv 3.048211 12.192844 9.144633 0 0 0
286 pv 9.144633 12.192844 9.144633 0 0 0
287 pv 15.241055 12.192844 9.144633 0 0 0
288 pv 21.337477 12.192844 9.144633 0 0 0
289 pv 27.433899 12.192844 9.144633 0 0 0
290 pv 3.048211 18.289266 9.144633 0 0 0
291 pv 9.144633 18.289266 9.144633 0 0 0
292 pv 15.241055 18.289266 9.144633 0 0 0
293 pv 21.337477 18.289266 9.144633 0 0 0
294 pv 27.433899 18.289266 9.144633 0 0 0
295 pv 3.048211 24.385688 9.144633 0 0 0
296 pv 9.144633 24.385688 9.144633 0 0 0
297 pv 15.241055 24.385688 9.144633 0 0 0
298 pv 21.337477 24.385688 9.144633 0 0 0
299 pv 27.433899 24.385688 9.144633 0 0 0
300 pv 3.048211 0 15.241055 0 0 0
301 pv 9.144633 0 15.241055 0 0 0
302 pv 15.241055 0 15.241055 0 0 0
303 pv 21.337477 0 15.241055 0 0 0
304 pv 27.433899 0 15.241055 0 0 0
305 pv 3.048211 6.096422 15.241055 0 0 0
306 pv 9.144633 6.096422 15.241055 0 0 0
307 pv 15.241055 6.096422 15.241055 0 0 0
308 pv 21.337477 6.096422 15.241055 0 0 0
309 pv 27.433899 6.096422 15.241055 0 0 0
310 pv 3.048211 12.192844 15.241055 0 0 0
311 pv 9.144633 12.192844 15.241055 0 0 0
312 pv 15.241055 12.192844 15.241055 0 0 0
313 pv 21.337477 12.192844 15.241055 0 0 0
314 pv 27.433899 12.192844 15.241055 0 0 0
315 pv 3.048211 18.289266 15.241055 0 0 0
316 pv 9.144633 18.289266 15.241055 0 0 0
317 pv 15.241055 18.289266 15.241055 0 0 0
318 pv 21.337477 18.289266 15.241055 0 0 0
319 pv 27.433899 18.289266 15.241055 0 0 0
320 pv 3.048211 24.385688 15.241055 0 0 0
321 pv 9.144633 24.385688 15.241055 0 0 0
322 pv 15.241055 24.385688 15.241055 0 0 0
323 pv 21.337477 24.385688 15.241055 0 0 0
324 pv 27.433899 24.385688 15.241055 0 0 0
325 pv 3.048211 0 21.337477 0 0 0
326 pv 9.144633 0 21.337477 0 0 0
327 pv 15.241055 0 21.337477 0 0 0
328 pv 21.337477 0 21.337477 0 0 0
329 pv 27.433899 0 21.337477 0 0 0
330 pv 3.048211 6.096422 21.337477 0 0 0
331 pv 9.144633 6.096422 21.337477 0 0 0
332 pv 15.241055 6.096422 21.337477 0 0 0
333 pv 21.337477 6.096422 21.337477 0 0 0
334 pv 27.433899 6.096422 21.337477 0 0 0
335 pv 3.048211 12.192844 21.337477 0 0 0
336 pv 9.144633 12.192844 21.337477 0 0 0
337 pv 15.241055 12.192844 21.337477 0 0 0
338 pv 21.337477 12.192844 21.337477 0 0 0
339 pv 27.433899 12.192844 21.337477 0 0 0
340 pv 3.048211 18.289266 21.337477 0 0 0
341 pv 9.144633 18.289266 21.337477 0 0 0
342 pv 15.241055 18.289266 21.337477 0 0 0
343 pv 21.337477 18.289266 21.337477 0 0 0
344 pv 27.433899 18.289266 21.337477 0 0 0
345 pv 3.048211 24.385688 21.337477 0 0 0
346 pv 9.144633 24.385688 21.337477 0 0 0
347 pv 15.241055 24.385688 21.337477 0 0 0
348 pv 21.337477 24.385688 21.337477 0 0 0
349 pv 27.433899 24.385688 21.337477 0 0 0
350 pv 3.048211 0 27.433899 0 0 0
351 pv 9.144633 0 27.433899 0 0 0
352 pv 15.241055 0 27.433899 0 0 0
353 pv 21.337477 0 27.433899 0 0 0
354 pv 27.433899 0 27.433899 0 0 0
355 pv 3.048211 6.096422 27.433899 0 0 0
356 pv 9.144633 6.096422 27.433899 0 0 0
357 pv 15.241055 6.096422 27.433899 0 0 0
358 pv 21.337477 6.096422 27.433899 0 0 0
359 pv 27.433899 6.096422 27.433899 0 0 0
360 pv 3.048211 12.192844 27.433899 0 0 0
361 pv 9.144633 12.192844 27.433899 0 0 0
362 pv 15.241055 12.192844 27.433899 0 0 0
363 pv 21.337477 12.192844 27.433899 0 0 0
364 pv 27.433899 12.192844 27.433899 0 0 0
365 pv 3.048211 18.289266 27.433899 0 0 0
366 pv 9.144633 18.289266 27.433899 0 0 0
367 pv 15.241055 18.289266 27.433899 0 0 0
368 pv 21.337477 18.289266 27.433899 0 0 0
369 pv 27.433899 18.289266 27.433899 0 0 0
370 pv 3.048211 24.385688 27.433899 0 0 0
371 pv 9.144633 24.385688 27.433899 0 0 0
372 pv 15.241055 24.385688 27.433899 0 0 0
373 pv 21.337477 24.385688 27.433899 0 0 0
374 pv 27.433899 24.385688 27.433899 0 0 0
375 pv 0 3.048211 3.048211 0 0 0
376 pv 6.096422 3.048211 3.048211 0 0 0
377 pv 12.192844 3.048211 3.048211 0 0 0
378 pv 18.289266 3.048211 3.048211 0 0 0
379 pv 24.385688 3.048211 3.048211 0 0 0
380 pv 0 9.144633 3.048211 0 0 0
381 pv 6.096422 9.144633 3.048211 0 0 0
382 pv 12.192844 9.144633 3.048211 0 0 0
383 pv 18.289266 9.144633 3.048211 0 0 0
384 pv 24.385688 9.144633 3.048211 0 0 0
385 pv 0 15.241055 3.048211 0 0 0
386 pv 6.096422 15.241055 3.048211 0 0 0
387 pv 12.192844 15.241055 3.048211 0 0 0
388 pv 18.289266 15.241055 3.048211 0 0 0
389 pv 24.385688 15.241055 3.048211 0 0 0
390 pv 0 21.337477 3.048211 0 0 0
391 pv 6.096422 21.337477 3.048211 0 0 0
392 pv 12.192844 21.337477 3.048211 0 0 0
393 pv 18.289266 21.337477 3.048211 0 0 0
394 pv 24.385688 21.337477 3.048211 0 0 0
395 pv 0 27.433899 3.048211 0 0 0
396 pv 6.096422 27.433899 3.048211 0 0 0
397 pv 12.192844 27.433899 3.048211 0 0 0
398 pv 18.289266 27.433899 3.048211 0 0 0
399 pv 24.385688 27.433899 3.048211 0 0 0
400 pv 0 3.048211 9.144633 0 0 0
401 pv 6.096422 3.048211 9.144633 0 0 0
402 pv 12.192844 3.048211 9.144633 0 0 0
403 pv 18.289266 3.048211 9.144633 0 0 0
404 pv 24.385688 3.048211 9.144633 0 0 0
405 pv 0 9.144633 9.144633 0 0 0
406 pv 6.096422 9.144633 9.144633 0 0 0
407 pv 12.192844 9.144633 9.144633 0 0 0
408 pv 18.289266 9.144633 9.144633 0 0 0
409 pv 24.385688 9.144633 9.144633 0 0 0
410 pv 0 15.241055 9.144633 0 0 0
411 pv 6.096422 15.241055 9.144633 0 0 0
412 pv 12.192844 15.241055 9.144633 0 0 0
413 pv 18.289266 15.241055 9.144633 0 0 0
414 pv 24.385688 15.241055 9.144633 0 0 0
415 pv 0 21.337477 9.144633 0 0 0
416 pv 6.096422 21.337477 9.144633 0 0 0
417 pv 12.192844 21.337477 9.144633 0 0 0
418 pv 18.289266 21.337477 9.144633 0 0 0
419 pv 24.385688 21.337477 9.144633 0 0 0
420 pv 0 27.433899 9.144633 0 0 0
421 pv 6.096422 27.433899 9.144633 0 0 0
422 pv 12.192844 27.433899 9.144633 0 0 0
423 pv 18.289266 27.433899 9.144633 0 0 0
424 pv 24.385688 27.433899 9.144633 0 0 0
425 pv 0 3.048211 15.241055 0 0 0
426 pv 6.096422 3.048211 15.241055 0 0 0
427 pv 12.192844 3.048211 15.241055 0 0 0
428 pv 18.289266 3.048211 15.241055 0 0 0
429 pv 24.385688 3.048211 15.241055 0 0 0
430 pv 0 9.144633 15.241055 0 0 0
431 pv 6.096422 9.144633 15.241055 0 0 0
432 pv 12.192844 9.144633 15.241055 0 0 0
433 pv 18.289266 9.144633 15.241055 0 0 0
434 pv 24.385688 9.144633 15.241055 0 0 0
435 pv 0 15.241055 15.241055 0 0 0
436 pv 6.096422 15.241055 15.241055 0 0 0
437 pv 12.192844 15.241055 15.241055 0 0 0
438 pv 18.289266 15.241055 15.241055 0 0 0
439 pv 24.385688 15.241055 15.241055 0 0 0
440 pv 0 21.337477 15.241055 0 0 0
441 pv 6.096422 21.337477 15.241055 0 0 0
442 pv 12.192844 21.337477 15.241055 0 0 0
443 pv 18.289266 21.337477 15.241055 0 0 0
444 pv 24.385688 21.337477 15.241055 0 0 0
445 pv 0 27.433899 15.241055 0 0 0
446 pv 6.096422 27.433899 15.241055 0 0 0
447 pv 12.192844 27.433899 15.241055 0 0 0
448 pv 18.289266 27.433899 15.241055 0 0 0
449 pv 24.385688 27.433899 15.241055 0 0 0
450 pv 0 3.048211 21.337477 0 0 0
451 pv 6.096422 3.048211 21.337477 0 0 0
452 pv 12.192844 3.048211 21.337477 0 0 0
453 pv 18.289266 3.048211 21.337477 0 0 0
454 pv 24.385688 3.048211 21.337477 0 0 0
455 pv 0 9.144633 21.337477 0 0 0
456 pv 6.096422 9.144633 21.337477 0 0 0
457 pv 12.192844 9.144633 21.337477 0 0 0
458 pv 18.289266 9.144633 21.337477 0 0 0
459 pv 24.385688 9.144633 21.337477 0 0 0
460 pv 0 15.241055 21.337477 0 0 0
461 pv 6.096422 15.241055 21.337477 0 0 0
462 pv 12.192844 15.241055 21.337477 0 0 0
463 pv 18.289266 15.241055 21.337477 0 0 0
464 pv 24.385688 15.241055 21.337477 0 0 0
465 pv 0 21.337477 21.337477 0 0 0
466 pv 6.096422 21.337477 21.337477 0 0 0
467 pv 12.192844 21.337477 21.337477 0 0 0
468 pv 18.289266 21.337477 21.337477 0 0 0
469 pv 24.385688 21.337477 21.337477 0 0 0
470 pv 0 27.433899 21.337477 0 0 0
471 pv 6.096422 27.433899 21.337477 0 0 0
472 pv 12.192844 27.433899 21.337477 0 0 0
473 pv 18.289266 27.433899 21.337477 0 0 0
474 pv 24.385688 27.433899 21.337477 0 0 0
475 pv 0 3.048211 27.433899 0 0 0
476 pv 6.096422 3.048211 27.433899 0 0 0
477 pv 12.192844 3.048211 27.433899 0 0 0
478 pv 18.289266 3.048211 27.433899 0 0 0
479 pv 24.385688 3.048211 27.433899 0 0 0
480 pv 0 9.144633 27.433899 0 0 0
481 pv 6.096422 9.144633 27.433899 0 0 0
482 pv 12.192844 9.144633 27.433899 0 0 0
483 pv 18.289266 9.144633 27.433899 0 0 0
484 pv 24.385688 9.144633 27.433899 0 0 0
485 pv 0 15.241055 27.433899 0 0 0
486 pv 6.096422 15.241055 27.433899 0 0 0
487 pv 12.192844 15.241055 27.433899 0 0 0
488 pv 18.289266 15.241055 27.433899 0 0 0
489 pv 24.385688 15.241055 27.433899 0 0 0
490 pv 0 21.337477 27.433899 0 0 0
491 pv 6.096422 21.337477 27.433899 0 0 0
492 pv 12.192844 21.337477 27.433899 0 0 0
493 pv 18.289266 21.337477 27.433899 0 0 0
494 pv 24.385688 21.337477 27.433899 0 0 0
495 pv 0 27.433899 27.433899 0 0 0
496 pv 6.096422 27.433899 27.433899 0 0 0
497 pv 12.192844 27.433899 27.433899 0 0 0
498 pv 18.289266 27.433899 27.433899 0 0 0
499 pv 24.385688 27.433899 27.433899 0 0 0
</StuntDoubles>
</Snapshot>
</OpenMD>

This entry was posted on November 30, 2009, 5:05 pm and is filed under Examples. You can follow any responses to this entry through RSS 2.0. You can leave a response, or trackback from your own site.

OpenMD

Molecular Dynamics in the Open

Simple One-component simulation: Lennard-Jones argon

No comments yet.

Archives

Meta