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root/group/trunk/OOPSE-4/samples/argon/500.in
Revision: 2293
Committed: Thu Sep 15 00:11:18 2005 UTC (18 years, 9 months ago) by chrisfen
File size: 44644 byte(s)
Log Message: 
Equilibrated the sample

File Contents

# Content
1 500
2 10000; 28.569 0 0; 0 28.569 0; 0 0 28.569; 6.69307e-07 0.0146392 ;0 0 0; 0 0 0; 0 0 0;
3 Ar -17.839103 -16.359910 -17.583358 0.001181 -0.001630 -0.001369 0.0 0.0 0.0 0.0 0.0 0.0 0.0
4 Ar -12.816840 -14.918377 -8.414613 -0.000444 -0.002048 0.001130 0.0 0.0 0.0 0.0 0.0 0.0 0.0
5 Ar -10.022830 -15.204428 -6.519968 0.002239 -0.006310 0.001810 0.0 0.0 0.0 0.0 0.0 0.0 0.0
6 Ar -16.207656 -10.411345 -12.906449 -0.003474 -0.002659 -0.001741 0.0 0.0 0.0 0.0 0.0 0.0 0.0
7 Ar -9.441468 -11.748136 -16.050221 -0.000071 -0.003034 -0.000402 0.0 0.0 0.0 0.0 0.0 0.0 0.0
8 Ar -7.225038 -9.753784 -13.031049 -0.001366 -0.000760 0.001472 0.0 0.0 0.0 0.0 0.0 0.0 0.0
9 Ar -4.541561 -13.347270 -21.450095 0.001470 -0.000686 0.000645 0.0 0.0 0.0 0.0 0.0 0.0 0.0
10 Ar -1.411059 -11.316200 -12.470317 -0.002517 0.002328 -0.000735 0.0 0.0 0.0 0.0 0.0 0.0 0.0
11 Ar -6.876575 -15.785604 -17.109562 0.001267 0.000030 0.000016 0.0 0.0 0.0 0.0 0.0 0.0 0.0
12 Ar -6.712867 -12.966382 -13.182889 -0.000380 0.003681 -0.000577 0.0 0.0 0.0 0.0 0.0 0.0 0.0
13 Ar -3.230394 -13.877890 -13.811342 0.000611 -0.002189 0.002039 0.0 0.0 0.0 0.0 0.0 0.0 0.0
14 Ar -0.624172 -14.806687 -10.305944 -0.001050 0.000450 0.002304 0.0 0.0 0.0 0.0 0.0 0.0 0.0
15 Ar -1.629858 -7.645536 -21.502971 -0.001935 0.002967 0.001373 0.0 0.0 0.0 0.0 0.0 0.0 0.0
16 Ar -0.729842 -8.728196 -8.731023 0.000299 0.000176 -0.001846 0.0 0.0 0.0 0.0 0.0 0.0 0.0
17 Ar 1.901816 -15.277014 -18.157545 -0.002616 0.000460 0.000805 0.0 0.0 0.0 0.0 0.0 0.0 0.0
18 Ar 6.041334 -14.619277 -12.392994 0.001782 0.001028 -0.001479 0.0 0.0 0.0 0.0 0.0 0.0 0.0
19 Ar 12.454294 -14.215671 -12.609820 0.000947 -0.000298 -0.000216 0.0 0.0 0.0 0.0 0.0 0.0 0.0
20 Ar 9.459192 -15.369483 -10.831674 0.001004 -0.002643 -0.001420 0.0 0.0 0.0 0.0 0.0 0.0 0.0
21 Ar 15.302988 -13.436976 -14.985276 0.001181 -0.001343 0.000734 0.0 0.0 0.0 0.0 0.0 0.0 0.0
22 Ar 15.009473 -17.351802 -6.026979 -0.001977 -0.003824 0.001042 0.0 0.0 0.0 0.0 0.0 0.0 0.0
23 Ar -15.031884 -8.441036 -15.760513 0.000850 -0.002950 -0.001021 0.0 0.0 0.0 0.0 0.0 0.0 0.0
24 Ar -11.082851 -8.824224 -6.786603 0.003516 0.001194 0.001577 0.0 0.0 0.0 0.0 0.0 0.0 0.0
25 Ar -13.374642 -5.284082 -15.283364 0.000185 -0.000055 -0.001538 0.0 0.0 0.0 0.0 0.0 0.0 0.0
26 Ar -7.969487 -10.469584 -9.380428 0.000567 -0.001255 -0.001871 0.0 0.0 0.0 0.0 0.0 0.0 0.0
27 Ar -10.822985 -4.548854 -11.175235 0.002050 0.001303 -0.001703 0.0 0.0 0.0 0.0 0.0 0.0 0.0
28 Ar -7.314214 -3.883467 -10.358060 0.000153 0.002107 0.001980 0.0 0.0 0.0 0.0 0.0 0.0 0.0
29 Ar -3.772405 -9.410937 -14.096079 0.001986 -0.000306 -0.001124 0.0 0.0 0.0 0.0 0.0 0.0 0.0
30 Ar -5.724625 -7.187754 -10.156002 0.002446 -0.000659 -0.000881 0.0 0.0 0.0 0.0 0.0 0.0 0.0
31 Ar -1.036582 -7.479368 -11.871760 -0.000108 0.000940 -0.002740 0.0 0.0 0.0 0.0 0.0 0.0 0.0
32 Ar -3.163602 -4.477386 -11.343069 0.000449 -0.002798 0.000232 0.0 0.0 0.0 0.0 0.0 0.0 0.0
33 Ar 2.524371 -2.560076 -9.265727 0.003936 0.001439 0.002479 0.0 0.0 0.0 0.0 0.0 0.0 0.0
34 Ar 2.765516 -15.343492 -10.588080 -0.001388 0.002854 -0.000055 0.0 0.0 0.0 0.0 0.0 0.0 0.0
35 Ar 2.322929 -11.588870 -19.063416 0.000101 0.001206 -0.000214 0.0 0.0 0.0 0.0 0.0 0.0 0.0
36 Ar 1.410576 -4.774543 -12.887552 -0.000108 0.001364 0.000147 0.0 0.0 0.0 0.0 0.0 0.0 0.0
37 Ar 2.727027 -5.802570 -15.976735 0.000209 0.000218 0.001938 0.0 0.0 0.0 0.0 0.0 0.0 0.0
38 Ar 8.779721 -11.050029 -15.983959 0.001246 -0.001770 0.001790 0.0 0.0 0.0 0.0 0.0 0.0 0.0
39 Ar 4.935578 -7.964890 -13.115963 -0.001262 -0.001042 0.001901 0.0 0.0 0.0 0.0 0.0 0.0 0.0
40 Ar 4.591731 -4.297116 -11.556000 -0.002540 -0.001662 -0.001192 0.0 0.0 0.0 0.0 0.0 0.0 0.0
41 Ar 11.510023 -5.743965 -13.557826 0.003961 0.000701 0.000738 0.0 0.0 0.0 0.0 0.0 0.0 0.0
42 Ar 18.347004 -8.013235 -10.354539 -0.001388 -0.001255 0.002721 0.0 0.0 0.0 0.0 0.0 0.0 0.0
43 Ar -13.599180 -0.055325 -12.799882 -0.000624 0.001633 -0.000456 0.0 0.0 0.0 0.0 0.0 0.0 0.0
44 Ar -11.322069 0.297632 -6.172529 -0.000300 -0.001323 -0.000515 0.0 0.0 0.0 0.0 0.0 0.0 0.0
45 Ar -4.930832 0.711978 -13.993395 0.000876 -0.002649 0.000578 0.0 0.0 0.0 0.0 0.0 0.0 0.0
46 Ar -14.345472 -1.349405 -9.416277 -0.001675 0.001252 -0.000022 0.0 0.0 0.0 0.0 0.0 0.0 0.0
47 Ar -7.701645 0.549262 -16.221931 0.000713 -0.003370 0.001165 0.0 0.0 0.0 0.0 0.0 0.0 0.0
48 Ar -5.137858 2.904820 -10.319411 0.000614 -0.001573 -0.001953 0.0 0.0 0.0 0.0 0.0 0.0 0.0
49 Ar -6.120140 0.040246 -22.435105 -0.000712 0.000588 -0.003531 0.0 0.0 0.0 0.0 0.0 0.0 0.0
50 Ar -7.943336 1.429917 -8.456567 0.005071 -0.001550 0.000014 0.0 0.0 0.0 0.0 0.0 0.0 0.0
51 Ar -1.729302 -1.780952 -13.542155 -0.000214 0.000151 -0.000066 0.0 0.0 0.0 0.0 0.0 0.0 0.0
52 Ar -1.170797 -1.680701 -9.537236 0.000023 -0.002715 0.000216 0.0 0.0 0.0 0.0 0.0 0.0 0.0
53 Ar 2.577153 0.711993 -11.400456 -0.001212 -0.002443 0.003706 0.0 0.0 0.0 0.0 0.0 0.0 0.0
54 Ar 6.266801 -1.976837 -9.349335 0.000228 0.001859 -0.000730 0.0 0.0 0.0 0.0 0.0 0.0 0.0
55 Ar 3.963756 -1.834457 -14.055152 0.001543 -0.000816 0.000824 0.0 0.0 0.0 0.0 0.0 0.0 0.0
56 Ar 7.744868 -5.112092 -13.624919 0.000809 -0.003823 -0.004146 0.0 0.0 0.0 0.0 0.0 0.0 0.0
57 Ar 7.358843 -1.495186 -13.913449 -0.000489 0.002536 0.000641 0.0 0.0 0.0 0.0 0.0 0.0 0.0
58 Ar 10.931182 1.132212 -14.859024 0.000919 0.002045 0.002567 0.0 0.0 0.0 0.0 0.0 0.0 0.0
59 Ar 10.737507 -2.514798 -14.539859 -0.000486 -0.000052 -0.001814 0.0 0.0 0.0 0.0 0.0 0.0 0.0
60 Ar 8.909966 2.822969 -12.405219 0.001659 -0.000158 0.003705 0.0 0.0 0.0 0.0 0.0 0.0 0.0
61 Ar 7.359793 1.132819 -7.668300 0.002414 0.001406 -0.001940 0.0 0.0 0.0 0.0 0.0 0.0 0.0
62 Ar 14.945403 -7.465237 -11.479811 -0.001395 -0.000622 -0.003677 0.0 0.0 0.0 0.0 0.0 0.0 0.0
63 Ar -15.592961 7.890845 -14.414300 -0.002194 -0.003263 -0.000578 0.0 0.0 0.0 0.0 0.0 0.0 0.0
64 Ar -15.867395 1.964448 -11.366128 -0.004548 -0.003019 -0.000115 0.0 0.0 0.0 0.0 0.0 0.0 0.0
65 Ar -13.742577 5.292332 -10.371632 -0.000338 0.000989 -0.000984 0.0 0.0 0.0 0.0 0.0 0.0 0.0
66 Ar -8.445954 6.554245 -14.305006 0.002127 -0.000747 -0.001389 0.0 0.0 0.0 0.0 0.0 0.0 0.0
67 Ar -5.650136 4.229192 -14.624533 0.001117 -0.000039 -0.003453 0.0 0.0 0.0 0.0 0.0 0.0 0.0
68 Ar -4.644086 8.111376 -13.054663 -0.003007 0.000611 -0.000446 0.0 0.0 0.0 0.0 0.0 0.0 0.0
69 Ar -6.472839 3.446774 -17.736105 0.001016 0.000585 -0.000847 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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71 Ar 2.559415 4.865592 -16.627077 0.002595 -0.001661 0.000290 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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73 Ar -0.874100 8.044360 -12.977795 0.002618 -0.001964 -0.001101 0.0 0.0 0.0 0.0 0.0 0.0 0.0
74 Ar 5.156586 4.573188 -13.261264 0.001429 -0.000482 -0.000465 0.0 0.0 0.0 0.0 0.0 0.0 0.0
75 Ar 0.922916 3.877368 -13.304507 -0.000767 -0.000195 -0.001758 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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