Homec4science
Diffusion lammps (master) Browse

lammps/test/lj126_table.txt
86b6a0044923master

Last Change
Raw File

lj126_table.txt
View Options

# LJ 12-6 potential with epsilon = 1.0
LJ_126_1.0
N 128 R 0.8 4.61
1 0.8 42.94887185 854.0414274
2 0.83 25.18699889 526.2953033
3 0.86 14.55161867 329.5088528
4 0.89 8.146368471 209.3156647
5 0.92 4.282632428 134.7351529
6 0.95 1.960974657 87.77700856
7 0.98 0.581904862 57.8092798
8 1.01 -0.21838404 38.44493255
9 1.04 -0.662869905 25.78788488
10 1.07 -0.889321058 17.42729453
11 1.1 -0.983372449 11.85125775
12 1.13 -0.998450559 8.099653544
13 1.16 -0.967917641 5.555558201
14 1.19 -0.912552436 3.818179179
15 1.22 -0.845201938 2.624436129
16 1.25 -0.773698093 1.799967107
17 1.28 -0.702699549 1.228161825
18 1.31 -0.634861342 0.830373264
19 1.34 -0.571580967 0.5531407
20 1.37 -0.513475496 0.359858522
21 1.4 -0.460686922 0.225293224
22 1.43 -0.413077215 0.13194301
23 1.46 -0.370352321 0.067600608
24 1.49 -0.332140268 0.023708712
25 1.52 -0.298039609 -0.005757987
26 1.55 -0.267648728 -0.025058163
27 1.58 -0.240582839 -0.037211282
28 1.61 -0.21648314 -0.044363342
29 1.64 -0.195021029 -0.048041962
30 1.67 -0.175899255 -0.049335275
31 1.7 -0.158851259 -0.049018016
32 1.73 -0.143639466 -0.047640811
33 1.76 -0.130053056 -0.04559368
34 1.79 -0.117905524 -0.043151365
35 1.82 -0.107032215 -0.04050581
36 1.85 -0.097287958 -0.0377895
37 1.88 -0.088544862 -0.035092268
38 1.91 -0.080690295 -0.03247343
39 1.94 -0.073625063 -0.029970562
40 1.97 -0.067261783 -0.027605838
41 2 -0.061523437 -0.025390625
42 2.03 -0.056342102 -0.023328804
43 2.06 -0.051657825 -0.02141916
44 2.09 -0.04741764 -0.01965711
45 2.12 -0.043574712 -0.018035931
46 2.15 -0.040087581 -0.016547642
47 2.18 -0.036919506 -0.015183617
48 2.21 -0.034037891 -0.013935021
49 2.24 -0.031413786 -0.012793095
50 2.27 -0.029021445 -0.011749357
51 2.3 -0.026837948 -0.01079572
52 2.33 -0.024842866 -0.009924566
53 2.36 -0.023017968 -0.009128784
54 2.39 -0.021346963 -0.008401779
55 2.42 -0.01981528 -0.007737468
56 2.45 -0.01840987 -0.007130266
57 2.48 -0.017119031 -0.006575056
58 2.51 -0.015932261 -0.006067168
59 2.54 -0.01484012 -0.005602344
60 2.57 -0.013834115 -0.005176708
61 2.6 -0.012906597 -0.004786739
62 2.63 -0.012050669 -0.004429237
63 2.66 -0.011260105 -0.004101299
64 2.69 -0.010529277 -0.00380029
65 2.72 -0.009853098 -0.003523822
66 2.75 -0.009226958 -0.003269726
67 2.78 -0.008646679 -0.003036037
68 2.81 -0.008108472 -0.002820972
69 2.84 -0.007608893 -0.002622913
70 2.87 -0.007144812 -0.002440392
71 2.9 -0.006713381 -0.002272076
72 2.93 -0.006312005 -0.002116756
73 2.96 -0.005938319 -0.001973329
74 2.99 -0.005590165 -0.001840798
75 3.02 -0.005265571 -0.001718253
76 3.05 -0.004962735 -0.001604865
77 3.08 -0.004680009 -0.001499882
78 3.11 -0.004415882 -0.001402617
79 3.14 -0.00416897 -0.001312444
80 3.17 -0.003938005 -0.001228793
81 3.2 -0.003721821 -0.001151143
82 3.23 -0.003519348 -0.001079018
83 3.26 -0.003329603 -0.001011983
84 3.29 -0.003151679 -0.000949641
85 3.32 -0.002984744 -0.000891629
86 3.35 -0.002828028 -0.000837613
87 3.38 -0.002680825 -0.000787288
88 3.41 -0.002542479 -0.000740375
89 3.44 -0.002412388 -0.000696618
90 3.47 -0.002289994 -0.00065578
91 3.5 -0.00217478 -0.000617646
92 3.53 -0.002066271 -0.000582016
93 3.56 -0.001964023 -0.000548709
94 3.59 -0.001867628 -0.000517556
95 3.62 -0.001776706 -0.000488403
96 3.65 -0.001690905 -0.000461106
97 3.68 -0.001609897 -0.000435534
98 3.71 -0.001533381 -0.000411566
99 3.74 -0.001461072 -0.00038909
100 3.77 -0.00139271 -0.000368003
101 3.8 -0.001328049 -0.000348209
102 3.83 -0.001266863 -0.000329621
103 3.86 -0.00120894 -0.000312155
104 3.89 -0.001154083 -0.000295737
105 3.92 -0.001102107 -0.000280297
106 3.95 -0.001052842 -0.00026577
107 3.98 -0.001006126 -0.000252096
108 4.01 -0.00096181 -0.000239218
109 4.04 -0.000919754 -0.000227086
110 4.07 -0.000879828 -0.000215651
111 4.1 -0.00084191 -0.000204868
112 4.13 -0.000805883 -0.000194697
113 4.16 -0.000771643 -0.000185097
114 4.19 -0.000739087 -0.000176034
115 4.22 -0.000708122 -0.000167475
116 4.25 -0.000678661 -0.000159387
117 4.28 -0.000650619 -0.000151742
118 4.31 -0.00062392 -0.000144512
119 4.34 -0.00059849 -0.000137674
120 4.37 -0.000574261 -0.000131202
121 4.4 -0.000551168 -0.000125076
122 4.43 -0.000529152 -0.000119273
123 4.46 -0.000508154 -0.000113777
124 4.49 -0.000488123 -0.000108567
125 4.52 -0.000469006 -0.000103629
126 4.55 -0.000450757 -9.89447E-05
127 4.58 -0.000433331 -9.45011E-05
128 4.61 -0.000416686 -9.02839E-05
# LJ 12-6 potential with epsilon = 2.0
LJ_126_2.0
N 128 R 0.8 7.15
1 0.8 85.8977437 1708.082855
2 0.85 35.03052813 769.05359
3 0.9 13.27223791 360.9493112
4 0.95 3.921949314 175.5540171
5 1 -1.06581E-14 88
6 1.05 -1.515023828 45.22539902
7 1.1 -1.966744899 23.70251551
8 1.15 -1.963363566 12.59518752
9 1.2 -1.781930575 6.739879205
10 1.25 -1.547396186 3.599934213
11 1.3 -1.314033829 1.894692788
12 1.35 -1.103245896 0.96164865
13 1.4 -0.921373844 0.450586447
14 1.45 -0.768146367 0.172828512
15 1.5 -0.640673189 0.025048877
16 1.55 -0.535297456 -0.050116325
17 1.6 -0.448415449 -0.084860403
18 1.65 -0.376801697 -0.097388763
19 1.7 -0.317702518 -0.098036031
20 1.75 -0.268826494 -0.092663128
21 1.8 -0.228294111 -0.084569029
22 1.85 -0.194575917 -0.075579
23 1.9 -0.16643228 -0.066669954
24 1.95 -0.142859958 -0.058332448
25 2 -0.123046875 -0.05078125
26 2.05 -0.106334851 -0.044078057
27 2.1 -0.092189351 -0.03820288
28 2.15 -0.080175162 -0.033095283
29 2.2 -0.069936915 -0.028677878
30 2.25 -0.061183547 -0.024869363
31 2.3 -0.053675896 -0.021591441
32 2.35 -0.047216802 -0.018772176
33 2.4 -0.041643191 -0.016347323
34 2.45 -0.03681974 -0.014260532
35 2.5 -0.032633782 -0.012462955
36 2.55 -0.028991216 -0.010912584
37 2.6 -0.025813194 -0.009573478
38 2.65 -0.023033445 -0.008414989
39 2.7 -0.020596099 -0.007411038
40 2.75 -0.018453916 -0.006539451
41 2.8 -0.016566838 -0.005781387
42 2.85 -0.014900802 -0.005120829
43 2.9 -0.013426761 -0.004544153
44 2.95 -0.012119883 -0.00403976
45 3 -0.010958883 -0.003597765
46 3.05 -0.009925471 -0.00320973
47 3.1 -0.00900389 -0.002868441
48 3.15 -0.008180538 -0.002567725
49 3.2 -0.007443642 -0.002302286
50 3.25 -0.006782989 -0.002067575
51 3.3 -0.006189705 -0.00185968
52 3.35 -0.005656057 -0.001675226
53 3.4 -0.005175297 -0.0015113
54 3.45 -0.004741522 -0.001365383
55 3.5 -0.004349561 -0.001235291
56 3.55 -0.003994872 -0.001119128
57 3.6 -0.003673461 -0.001015247
58 3.65 -0.003381809 -0.000922211
59 3.7 -0.00311681 -0.000838768
60 3.75 -0.002875717 -0.000763824
61 3.8 -0.002656098 -0.000696419
62 3.85 -0.002455796 -0.000635714
63 3.9 -0.002272893 -0.000580971
64 3.95 -0.002105683 -0.00053154
65 4 -0.001952648 -0.000486851
66 4.05 -0.001812431 -0.000446398
67 4.1 -0.001683819 -0.000409736
68 4.15 -0.001565728 -0.000376471
69 4.2 -0.001457186 -0.000346254
70 4.25 -0.001357321 -0.000318773
71 4.3 -0.00126535 -0.000293755
72 4.35 -0.001180566 -0.000270954
73 4.4 -0.001102336 -0.000250151
74 4.45 -0.001030087 -0.000231152
75 4.5 -0.000963302 -0.000213784
76 4.55 -0.000901514 -0.000197889
77 4.6 -0.000844301 -0.000183331
78 4.65 -0.000791278 -0.000169982
79 4.7 -0.0007421 -0.000157733
80 4.75 -0.000696451 -0.000146481
81 4.8 -0.000654044 -0.000136137
82 4.85 -0.000614619 -0.000126619
83 4.9 -0.000577939 -0.000117853
84 4.95 -0.000543788 -0.000109774
85 5 -0.000511967 -0.000102321
86 5.05 -0.000482298 -9.54412E-05
87 5.1 -0.000454616 -8.90846E-05
88 5.15 -0.000428769 -8.3207E-05
89 5.2 -0.000404621 -7.77684E-05
90 5.25 -0.000382044 -7.27321E-05
91 5.3 -0.000360924 -6.8065E-05
92 5.35 -0.000341153 -6.37369E-05
93 5.4 -0.000322634 -5.97205E-05
94 5.45 -0.000305277 -5.59907E-05
95 5.5 -0.000289 -5.25246E-05
96 5.55 -0.000273727 -4.93016E-05
97 5.6 -0.000259387 -4.63025E-05
98 5.65 -0.000245916 -4.35102E-05
99 5.7 -0.000233254 -4.09085E-05
100 5.75 -0.000221346 -3.84832E-05
101 5.8 -0.000210141 -3.62207E-05
102 5.85 -0.000199592 -3.4109E-05
103 5.9 -0.000189656 -3.21368E-05
104 5.95 -0.000180293 -3.02938E-05
105 6 -0.000171464 -2.85706E-05
106 6.05 -0.000163136 -2.69585E-05
107 6.1 -0.000155275 -2.54495E-05
108 6.15 -0.000147853 -2.40363E-05
109 6.2 -0.000140842 -2.27121E-05
110 6.25 -0.000134215 -2.14705E-05
111 6.3 -0.00012795 -2.03059E-05
112 6.35 -0.000122023 -1.9213E-05
113 6.4 -0.000116414 -1.81867E-05
114 6.45 -0.000111103 -1.72226E-05
115 6.5 -0.000106073 -1.63165E-05
116 6.55 -0.000101306 -1.54645E-05
117 6.6 -9.67879E-05 -1.46629E-05
118 6.65 -9.25028E-05 -1.39084E-05
119 6.7 -8.84375E-05 -1.3198E-05
120 6.75 -8.4579E-05 -1.25288E-05
121 6.8 -8.09156E-05 -1.1898E-05
122 6.85 -7.74359E-05 -1.13033E-05
123 6.9 -7.41296E-05 -1.07423E-05
124 6.95 -7.09868E-05 -1.02129E-05
125 7 -6.79983E-05 -9.71313E-06
126 7.05 -6.51556E-05 -9.2411E-06
127 7.1 -6.24506E-05 -8.7951E-06
128 7.15 -5.98757E-05 -8.37353E-06
c4science · Help