lammps/examples/rdf-adf/spce-rdf.dat.ref

105 lines
5.2 KiB
Plaintext

# Time-averaged data for fix rdf
# TimeStep Number-of-rows
# Row c_gofr[1] c_gofr[2] c_gofr[3] c_gofr[4] c_gofr[5] c_gofr[6] c_gofr[7]
1000 100
1 0.06 0 0 0 0 0 0
2 0.18 0 0 0 0 0 0
3 0.3 0 0 0 0 0 0
4 0.42 0 0 0 0 0 0
5 0.54 0 0 0 0 0 0
6 0.66 0 0 0 0 0 0
7 0.78 0 0 0 0 0 0
8 0.9 0 0 0 0 0 0
9 1.02 0 0 0 0 18.9675 2
10 1.14 0 0 0 0 0 2
11 1.26 0 0 0 0 0 2
12 1.38 0 0 0 0 0 2
13 1.5 0 0 0.00175579 0.0004 0.0526561 2.012
14 1.62 0 0 3.78111 1.00507 0.697028 2.19727
15 1.74 0 0 0.0891761 1.0324 1.47939 2.65087
16 1.86 0 0 0.258879 1.12307 1.31357 3.11107
17 1.98 0 0 0.547465 1.34033 0.778689 3.4202
18 2.1 0 0 0.913219 1.748 0.445036 3.61893
19 2.22 0 0 1.17666 2.335 0.280275 3.7588
20 2.34 0 0 1.32397 3.0688 0.200928 3.8702
21 2.46 0.0344041 0.0105333 1.298 3.86387 0.19965 3.99253
22 2.58 0.933215 0.3248 1.14238 4.63353 0.260351 4.168
23 2.7 2.69772 1.31973 0.918695 5.3114 0.409066 4.46993
24 2.82 2.69973 2.40587 0.788843 5.94633 0.622485 4.97113
25 2.94 1.68742 3.14373 0.716931 6.57353 0.921309 5.7774
26 3.06 1.17854 3.702 0.725122 7.26073 1.28872 6.99913
27 3.18 0.877821 4.15107 0.783927 8.06307 1.52077 8.55613
28 3.3 0.823134 4.60453 0.856914 9.00753 1.55623 10.2719
29 3.42 0.848865 5.1068 0.944321 10.1254 1.42361 11.9577
30 3.54 0.859179 5.65147 1.02168 11.4212 1.28943 13.5937
31 3.66 0.902739 6.2632 1.1038 12.9177 1.14738 15.1497
32 3.78 0.926027 6.93253 1.1595 14.5944 1.0656 16.6912
33 3.9 0.958993 7.6704 1.17188 16.3983 0.99537 18.2239
34 4.02 0.998828 8.48693 1.14666 18.2737 0.993965 19.8501
35 4.14 1.04388 9.392 1.10034 20.1824 0.968649 21.5309
36 4.26 1.06085 10.3659 1.0577 22.125 0.960389 23.2954
37 4.38 1.07881 11.4128 1.03302 24.1307 0.96849 25.1764
38 4.5 1.08582 12.5251 1.01926 26.2195 0.952324 27.1287
39 4.62 1.10128 13.7141 1.01049 28.4023 0.950238 29.1821
40 4.74 1.08014 14.9417 1.00533 30.6883 0.95441 31.3529
41 4.86 1.06986 16.22 1.00062 33.0801 0.95827 33.6443
42 4.98 1.03848 17.5228 0.984535 35.5512 0.980463 36.106
43 5.1 0.978536 18.8103 0.979628 38.1299 0.98282 38.6939
44 5.22 0.971985 20.15 0.961821 40.7822 1.01254 41.4871
45 5.34 0.94275 21.5099 0.957683 43.5459 1.02253 44.4389
46 5.46 0.91839 22.8948 0.956334 46.4312 1.01667 47.5073
47 5.58 0.913178 24.3331 0.97006 49.4879 1.02157 50.7274
48 5.7 0.917321 25.8407 0.98508 52.7269 1.00299 54.0264
49 5.82 0.906654 27.3941 0.985116 56.1039 0.993109 57.4319
50 5.94 0.926646 29.048 1.00072 59.6772 0.984428 60.9482
51 6.06 0.976372 30.8617 1.00731 63.4209 0.983091 64.6031
52 6.18 0.988791 32.772 1.00833 67.3182 0.970493 68.3554
53 6.3 1.01384 34.8075 1.0079 71.3666 0.975255 72.274
54 6.42 1.02791 36.9505 1.00939 75.5769 0.983508 76.3777
55 6.54 1.03645 39.1929 1.00148 79.9119 0.990828 80.668
56 6.66 1.04864 41.5457 0.998046 84.3919 0.993913 85.131
57 6.78 1.03771 43.9587 0.997997 89.0347 0.998581 89.778
58 6.9 1.04218 46.4685 0.993391 93.821 1.00659 94.6295
59 7.02 1.05285 49.0931 1.00509 98.8336 1.01027 99.6697
60 7.14 1.02748 51.7427 0.998338 103.984 1.01201 104.893
61 7.26 1.0231 54.4704 0.998866 109.312 1.0124 110.295
62 7.38 1.01372 57.2632 1.00397 114.846 1.0199 115.918
63 7.5 0.988947 60.0771 1.00531 120.569 1.02265 121.741
64 7.62 0.980062 62.9556 1.00466 126.472 1.01237 127.692
65 7.74 0.989464 65.954 1.00649 132.574 1.00737 133.802
66 7.86 0.989093 69.0449 1.00774 138.875 1.00819 140.107
67 7.98 0.98097 72.2048 1.00692 145.364 0.999231 146.549
68 8.1 0.977431 75.4487 1.00046 152.007 1.00085 153.196
69 8.22 0.985577 78.8172 1.00522 158.88 0.995709 160.007
70 8.34 0.992739 82.31 1.00494 165.954 0.989474 166.974
71 8.46 0.991994 85.9013 0.997194 173.177 0.993918 174.176
72 8.58 1.00368 89.6388 0.998087 180.612 0.989104 181.547
73 8.7 1.0116 93.5119 0.998012 188.257 0.990205 189.134
74 8.82 1.00751 97.4764 0.991686 196.064 0.989992 196.931
75 8.94 1.00977 101.559 1.00219 204.17 0.994295 204.976
76 9.06 0.999123 105.707 0.994424 212.431 0.997422 213.264
77 9.18 0.998916 109.965 0.994158 220.909 0.999422 221.79
78 9.3 0.994577 114.316 0.996797 229.634 1.00194 230.563
79 9.42 1.00825 118.842 0.999476 238.609 0.999165 239.538
80 9.54 0.998167 123.437 1.0022 247.84 1.00643 248.811
81 9.66 0.997363 128.145 0.999346 257.277 1.00494 258.304
82 9.78 1.0017 132.991 0.998169 266.939 1.00407 268.026
83 9.9 1.00266 137.962 0.999727 276.855 1.00037 277.952
84 10.02 0.997976 143.03 1.00404 287.057 1.00406 288.157
85 10.14 0.999388 148.228 1.00641 297.529 1.00094 298.576
86 10.26 0.999911 153.552 1.00311 308.215 0.999732 309.229
87 10.38 1.00403 159.024 0.997204 319.088 0.999567 320.132
88 10.5 1.00586 164.634 1.00433 330.294 0.997524 331.265
89 10.62 1.00479 170.366 1.00278 341.739 0.999381 342.676
90 10.74 1.0057 176.234 1.00313 353.449 0.999143 354.343
91 10.86 0.99951 182.197 1.00108 365.397 1.00255 366.313
92 10.98 1.004 188.319 1.00128 377.613 0.998276 378.496
93 11.1 1.0075 194.599 0.996323 390.036 1.00332 391.011
94 11.22 0.998232 200.955 0.997973 402.75 1.00385 403.804
95 11.34 0.99788 207.446 0.996466 415.718 1.00156 416.842
96 11.46 0.994593 214.053 0.999307 428.999 0.999586 430.132
97 11.58 0.998619 220.827 0.999303 442.56 0.998194 443.682
98 11.7 0.993817 227.708 0.99877 456.397 0.9981 457.514
99 11.82 1.00212 234.79 1.00325 470.581 0.994609 471.581
100 11.94 0.999696 241.999 0.999589 485.003 0.998572 485.993