1118 lines
96 KiB
Plaintext
1118 lines
96 KiB
Plaintext
LAMMPS data file from restart file: timestep = 1016, procs = 1
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544 atoms
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4 atom types
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0.0000000000000000e+00 1.1438050064000001e+02 xlo xhi
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0.0000000000000000e+00 2.2876100128000001e+01 ylo yhi
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0.0000000000000000e+00 2.2876100128000001e+01 zlo zhi
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Masses
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1 39.948
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2 39.948
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3 39.948
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4 39.948
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Pair Coeffs
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1 0.2381 3.405
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2 0.2381 3.405
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3 0.2381 3.405
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4 0.2381 3.405
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Atoms
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1 0 1 1.0000000000000001e-01 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
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2 0 1 1.0000000000000001e-01 2.8595125160000001e+00 2.8595125160000001e+00 0.0000000000000000e+00 0 0 0
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3 0 1 1.0000000000000001e-01 2.8595125160000001e+00 0.0000000000000000e+00 2.8595125160000001e+00 0 0 0
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4 0 1 1.0000000000000001e-01 0.0000000000000000e+00 2.8595125160000001e+00 2.8595125160000001e+00 0 0 0
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5 0 1 1.0000000000000001e-01 5.7190250320000002e+00 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
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8 0 1 1.0000000000000001e-01 5.7190250320000002e+00 2.8595125160000001e+00 2.8595125160000001e+00 0 0 0
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19 0 1 1.0000000000000001e-01 0.0000000000000000e+00 5.7190250320000002e+00 0.0000000000000000e+00 0 0 0
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21 0 1 1.0000000000000001e-01 2.8595125160000001e+00 5.7190250320000002e+00 2.8595125160000001e+00 0 0 0
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23 0 1 1.0000000000000001e-01 5.7190250320000002e+00 5.7190250320000002e+00 0.0000000000000000e+00 0 0 0
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73 0 1 1.0000000000000001e-01 0.0000000000000000e+00 0.0000000000000000e+00 5.7190250320000002e+00 0 0 0
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74 0 1 1.0000000000000001e-01 2.8595125160000001e+00 2.8595125160000001e+00 5.7190250320000002e+00 0 0 0
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77 0 1 1.0000000000000001e-01 5.7190250320000002e+00 0.0000000000000000e+00 5.7190250320000002e+00 0 0 0
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91 0 1 1.0000000000000001e-01 0.0000000000000000e+00 5.7190250320000002e+00 5.7190250320000002e+00 0 0 0
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95 0 1 1.0000000000000001e-01 5.7190250320000002e+00 5.7190250320000002e+00 5.7190250320000002e+00 0 0 0
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6 0 1 1.0000000000000001e-01 8.5785375479999999e+00 2.8595125160000001e+00 0.0000000000000000e+00 0 0 0
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7 0 1 1.0000000000000001e-01 8.5785375479999999e+00 0.0000000000000000e+00 2.8595125160000001e+00 0 0 0
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9 0 1 1.0000000000000001e-01 1.1438050064000000e+01 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
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10 0 1 1.0000000000000001e-01 1.4297562580000001e+01 2.8595125160000001e+00 0.0000000000000000e+00 0 0 0
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11 0 1 1.0000000000000001e-01 1.4297562580000001e+01 0.0000000000000000e+00 2.8595125160000001e+00 0 0 0
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12 0 1 1.0000000000000001e-01 1.1438050064000000e+01 2.8595125160000001e+00 2.8595125160000001e+00 0 0 0
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25 0 1 1.0000000000000001e-01 8.5785375479999999e+00 5.7190250320000002e+00 2.8595125160000001e+00 0 0 0
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27 0 1 1.0000000000000001e-01 1.1438050064000000e+01 5.7190250320000002e+00 0.0000000000000000e+00 0 0 0
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29 0 1 1.0000000000000001e-01 1.4297562580000001e+01 5.7190250320000002e+00 2.8595125160000001e+00 0 0 0
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78 0 1 1.0000000000000001e-01 8.5785375479999999e+00 2.8595125160000001e+00 5.7190250320000002e+00 0 0 0
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81 0 1 1.0000000000000001e-01 1.1438050064000000e+01 0.0000000000000000e+00 5.7190250320000002e+00 0 0 0
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82 0 1 1.0000000000000001e-01 1.4297562580000001e+01 2.8595125160000001e+00 5.7190250320000002e+00 0 0 0
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99 0 1 1.0000000000000001e-01 1.1438050064000000e+01 5.7190250320000002e+00 5.7190250320000002e+00 0 0 0
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13 0 1 1.0000000000000001e-01 1.7157075096000000e+01 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
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14 0 1 1.0000000000000001e-01 2.0016587612000002e+01 2.8595125160000001e+00 0.0000000000000000e+00 0 0 0
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15 0 1 1.0000000000000001e-01 2.0016587612000002e+01 0.0000000000000000e+00 2.8595125160000001e+00 0 0 0
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16 0 1 1.0000000000000001e-01 1.7157075096000000e+01 2.8595125160000001e+00 2.8595125160000001e+00 0 0 0
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31 0 1 1.0000000000000001e-01 1.7157075096000000e+01 5.7190250320000002e+00 0.0000000000000000e+00 0 0 0
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33 0 1 1.0000000000000001e-01 2.0016587612000002e+01 5.7190250320000002e+00 2.8595125160000001e+00 0 0 0
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85 0 1 1.0000000000000001e-01 1.7157075096000000e+01 0.0000000000000000e+00 5.7190250320000002e+00 0 0 0
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86 0 1 1.0000000000000001e-01 2.0016587612000002e+01 2.8595125160000001e+00 5.7190250320000002e+00 0 0 0
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103 0 1 1.0000000000000001e-01 1.7157075096000000e+01 5.7190250320000002e+00 5.7190250320000002e+00 0 0 0
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17 0 1 1.0000000000000001e-01 2.2876100128000001e+01 0.0000000000000000e+00 0.0000000000000000e+00 0 0 0
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18 0 1 1.0000000000000001e-01 2.2876100128000001e+01 2.8595125160000001e+00 2.8595125160000001e+00 0 0 0
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35 0 1 1.0000000000000001e-01 2.2876100128000001e+01 5.7190250320000002e+00 0.0000000000000000e+00 0 0 0
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89 0 1 1.0000000000000001e-01 2.2876100128000001e+01 0.0000000000000000e+00 5.7190250320000002e+00 0 0 0
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107 0 1 1.0000000000000001e-01 2.2876100128000001e+01 5.7190250320000002e+00 5.7190250320000002e+00 0 0 0
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289 0 2 0.0000000000000000e+00 2.9536061182321731e+01 1.4293241668412870e+00 2.0286703826911587e+01 0 0 -1
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294 0 4 -1.0000000000000001e-01 3.3429248740775712e+01 4.0102347274409338e+00 2.3283400645282213e+00 0 0 0
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306 0 4 -1.0000000000000001e-01 2.8783695784019312e+01 3.5564928849703090e+00 1.9739093321449437e+00 0 0 0
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307 0 2 0.0000000000000000e+00 3.1497073641164789e+01 4.1147714777068209e+00 2.1684616145873900e+01 0 0 -1
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309 0 2 0.0000000000000000e+00 3.6824403572222806e+01 5.2004334627565889e+00 3.5947867120737840e+00 0 0 0
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353 0 3 1.0000000000000001e-01 3.1385033914030956e+01 4.9398482057313240e+00 5.2551603482797198e+00 0 0 0
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356 0 2 0.0000000000000000e+00 3.8251390549795524e+01 3.9693476085136092e+00 6.7470338552505362e+00 0 0 0
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371 0 3 1.0000000000000001e-01 3.4049178191382559e+01 8.1257332157648658e+00 5.7541348611550571e+00 0 0 0
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296 0 4 -1.0000000000000001e-01 4.2986370880801168e+01 3.7845261939376846e+00 2.6943094794905118e+00 0 0 0
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297 0 3 1.0000000000000001e-01 4.2323495870272765e+01 2.2584403923878629e+01 1.9592875857946295e+00 0 -1 0
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298 0 4 -1.0000000000000001e-01 3.9749293031481400e+01 2.2753218638148573e+00 3.8472049415513894e+00 0 0 0
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313 0 2 0.0000000000000000e+00 4.0909160648176254e+01 6.5474081397071338e+00 3.8382056970043066e+00 0 0 0
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360 0 3 1.0000000000000001e-01 4.4023792224243032e+01 1.3044270846452659e+00 5.1542821148197007e+00 0 0 0
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375 0 2 0.0000000000000000e+00 4.2222399083729044e+01 4.2248229468427621e+00 6.4248057570969994e+00 0 0 0
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363 0 2 0.0000000000000000e+00 4.7601668977149046e+01 1.0911146641685960e+00 5.6337036693967955e+00 0 0 0
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379 0 4 -1.0000000000000001e-01 4.5417166206985122e+01 5.0630510897323706e+00 5.0928274467360435e+00 0 0 0
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302 0 4 -1.0000000000000001e-01 4.7521842216843893e+01 3.1915474738499086e+00 2.3911707023419857e+00 0 0 0
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304 0 2 0.0000000000000000e+00 5.2390057983849715e+01 3.8434642058348834e+00 2.7878088297284576e+00 0 0 0
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317 0 2 0.0000000000000000e+00 5.0840814144335020e+01 6.1256156650631741e+00 2.3153147189192114e-01 0 0 0
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364 0 2 0.0000000000000000e+00 4.8811763075601164e+01 5.1821831279933646e+00 5.5953390549842918e+00 0 0 0
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367 0 4 -1.0000000000000001e-01 5.1953696967228595e+01 2.7834027897517282e+00 5.9530922197361011e+00 0 0 0
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383 0 2 0.0000000000000000e+00 5.4108078087358379e+01 7.0503767355003966e+00 6.7483996248143683e+00 0 0 0
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20 0 1 1.0000000000000001e-01 2.8595125160000001e+00 8.5785375479999999e+00 0.0000000000000000e+00 0 0 0
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22 0 1 1.0000000000000001e-01 0.0000000000000000e+00 8.5785375479999999e+00 2.8595125160000001e+00 0 0 0
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26 0 1 1.0000000000000001e-01 5.7190250320000002e+00 8.5785375479999999e+00 2.8595125160000001e+00 0 0 0
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37 0 1 1.0000000000000001e-01 0.0000000000000000e+00 1.1438050064000000e+01 0.0000000000000000e+00 0 0 0
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38 0 1 1.0000000000000001e-01 2.8595125160000001e+00 1.4297562580000001e+01 0.0000000000000000e+00 0 0 0
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39 0 1 1.0000000000000001e-01 2.8595125160000001e+00 1.1438050064000000e+01 2.8595125160000001e+00 0 0 0
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40 0 1 1.0000000000000001e-01 0.0000000000000000e+00 1.4297562580000001e+01 2.8595125160000001e+00 0 0 0
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41 0 1 1.0000000000000001e-01 5.7190250320000002e+00 1.1438050064000000e+01 0.0000000000000000e+00 0 0 0
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44 0 1 1.0000000000000001e-01 5.7190250320000002e+00 1.4297562580000001e+01 2.8595125160000001e+00 0 0 0
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92 0 1 1.0000000000000001e-01 2.8595125160000001e+00 8.5785375479999999e+00 5.7190250320000002e+00 0 0 0
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109 0 1 1.0000000000000001e-01 0.0000000000000000e+00 1.1438050064000000e+01 5.7190250320000002e+00 0 0 0
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110 0 1 1.0000000000000001e-01 2.8595125160000001e+00 1.4297562580000001e+01 5.7190250320000002e+00 0 0 0
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113 0 1 1.0000000000000001e-01 5.7190250320000002e+00 1.1438050064000000e+01 5.7190250320000002e+00 0 0 0
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24 0 1 1.0000000000000001e-01 8.5785375479999999e+00 8.5785375479999999e+00 0.0000000000000000e+00 0 0 0
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28 0 1 1.0000000000000001e-01 1.4297562580000001e+01 8.5785375479999999e+00 0.0000000000000000e+00 0 0 0
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30 0 1 1.0000000000000001e-01 1.1438050064000000e+01 8.5785375479999999e+00 2.8595125160000001e+00 0 0 0
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42 0 1 1.0000000000000001e-01 8.5785375479999999e+00 1.4297562580000001e+01 0.0000000000000000e+00 0 0 0
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43 0 1 1.0000000000000001e-01 8.5785375479999999e+00 1.1438050064000000e+01 2.8595125160000001e+00 0 0 0
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45 0 1 1.0000000000000001e-01 1.1438050064000000e+01 1.1438050064000000e+01 0.0000000000000000e+00 0 0 0
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46 0 1 1.0000000000000001e-01 1.4297562580000001e+01 1.4297562580000001e+01 0.0000000000000000e+00 0 0 0
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48 0 1 1.0000000000000001e-01 1.1438050064000000e+01 1.4297562580000001e+01 2.8595125160000001e+00 0 0 0
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96 0 1 1.0000000000000001e-01 8.5785375479999999e+00 8.5785375479999999e+00 5.7190250320000002e+00 0 0 0
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52 0 1 1.0000000000000001e-01 1.7157075096000000e+01 1.4297562580000001e+01 2.8595125160000001e+00 0 0 0
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104 0 1 1.0000000000000001e-01 2.0016587612000002e+01 8.5785375479999999e+00 5.7190250320000002e+00 0 0 0
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121 0 1 1.0000000000000001e-01 1.7157075096000000e+01 1.1438050064000000e+01 5.7190250320000002e+00 0 0 0
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122 0 1 1.0000000000000001e-01 2.0016587612000002e+01 1.4297562580000001e+01 5.7190250320000002e+00 0 0 0
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36 0 1 1.0000000000000001e-01 2.2876100128000001e+01 8.5785375479999999e+00 2.8595125160000001e+00 0 0 0
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329 0 3 1.0000000000000001e-01 4.1297820591965262e+01 9.9514607232234926e+00 2.8259481902176189e+00 0 0 0
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127 0 1 1.0000000000000001e-01 0.0000000000000000e+00 1.7157075096000000e+01 5.7190250320000002e+00 0 0 0
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543 4.4505998160580167e-03 -9.2142125083606639e-04 2.3686162222141616e-03
|
|
544 3.3618849583462950e-03 4.1986625870915397e-05 -1.7017036811109354e-03
|