File: H2.data

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lammps 20210122~gita77bb%2Bds1-2
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file content (196 lines) | stat: -rw-r--r-- 15,302 bytes parent folder | download | duplicates (6)
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para-Hydrogen density=0.023500

180 atoms

1 atom types

    0.000000    19.712190 xlo xhi
    0.000000    19.712190 ylo yhi
    0.000000    19.712190 zlo zhi

Masses

1 0.5

Atoms

    1     1    1   0.0             0.000000            0.000000            0.000000
    2     2    1   0.0             0.000000            0.000000            3.285365
    3     3    1   0.0             0.000000            0.000000            6.570730
    4     4    1   0.0             0.000000            0.000000            9.856095
    5     5    1   0.0             0.000000            0.000000           13.141460
    6     6    1   0.0             0.000000            0.000000           16.426825
    7     7    1   0.0             0.000000            3.285365            0.000000
    8     8    1   0.0             0.000000            3.285365            3.285365
    9     9    1   0.0             0.000000            3.285365            6.570730
   10    10    1   0.0             0.000000            3.285365            9.856095
   11    11    1   0.0             0.000000            3.285365           13.141460
   12    12    1   0.0             0.000000            3.285365           16.426825
   13    13    1   0.0             0.000000            6.570730            0.000000
   14    14    1   0.0             0.000000            6.570730            3.285365
   15    15    1   0.0             0.000000            6.570730            6.570730
   16    16    1   0.0             0.000000            6.570730            9.856095
   17    17    1   0.0             0.000000            6.570730           13.141460
   18    18    1   0.0             0.000000            6.570730           16.426825
   19    19    1   0.0             0.000000            9.856095            0.000000
   20    20    1   0.0             0.000000            9.856095            3.285365
   21    21    1   0.0             0.000000            9.856095            6.570730
   22    22    1   0.0             0.000000            9.856095            9.856095
   23    23    1   0.0             0.000000            9.856095           13.141460
   24    24    1   0.0             0.000000            9.856095           16.426825
   25    25    1   0.0             0.000000           13.141460            0.000000
   26    26    1   0.0             0.000000           13.141460            3.285365
   27    27    1   0.0             0.000000           13.141460            6.570730
   28    28    1   0.0             0.000000           13.141460            9.856095
   29    29    1   0.0             0.000000           13.141460           13.141460
   30    30    1   0.0             0.000000           13.141460           16.426825
   31    31    1   0.0             0.000000           16.426825            0.000000
   32    32    1   0.0             0.000000           16.426825            3.285365
   33    33    1   0.0             0.000000           16.426825            6.570730
   34    34    1   0.0             0.000000           16.426825            9.856095
   35    35    1   0.0             0.000000           16.426825           13.141460
   36    36    1   0.0             0.000000           16.426825           16.426825
   37    37    1   0.0             3.942438            0.000000            0.000000
   38    38    1   0.0             3.942438            0.000000            3.285365
   39    39    1   0.0             3.942438            0.000000            6.570730
   40    40    1   0.0             3.942438            0.000000            9.856095
   41    41    1   0.0             3.942438            0.000000           13.141460
   42    42    1   0.0             3.942438            0.000000           16.426825
   43    43    1   0.0             3.942438            3.285365            0.000000
   44    44    1   0.0             3.942438            3.285365            3.285365
   45    45    1   0.0             3.942438            3.285365            6.570730
   46    46    1   0.0             3.942438            3.285365            9.856095
   47    47    1   0.0             3.942438            3.285365           13.141460
   48    48    1   0.0             3.942438            3.285365           16.426825
   49    49    1   0.0             3.942438            6.570730            0.000000
   50    50    1   0.0             3.942438            6.570730            3.285365
   51    51    1   0.0             3.942438            6.570730            6.570730
   52    52    1   0.0             3.942438            6.570730            9.856095
   53    53    1   0.0             3.942438            6.570730           13.141460
   54    54    1   0.0             3.942438            6.570730           16.426825
   55    55    1   0.0             3.942438            9.856095            0.000000
   56    56    1   0.0             3.942438            9.856095            3.285365
   57    57    1   0.0             3.942438            9.856095            6.570730
   58    58    1   0.0             3.942438            9.856095            9.856095
   59    59    1   0.0             3.942438            9.856095           13.141460
   60    60    1   0.0             3.942438            9.856095           16.426825
   61    61    1   0.0             3.942438           13.141460            0.000000
   62    62    1   0.0             3.942438           13.141460            3.285365
   63    63    1   0.0             3.942438           13.141460            6.570730
   64    64    1   0.0             3.942438           13.141460            9.856095
   65    65    1   0.0             3.942438           13.141460           13.141460
   66    66    1   0.0             3.942438           13.141460           16.426825
   67    67    1   0.0             3.942438           16.426825            0.000000
   68    68    1   0.0             3.942438           16.426825            3.285365
   69    69    1   0.0             3.942438           16.426825            6.570730
   70    70    1   0.0             3.942438           16.426825            9.856095
   71    71    1   0.0             3.942438           16.426825           13.141460
   72    72    1   0.0             3.942438           16.426825           16.426825
   73    73    1   0.0             7.884876            0.000000            0.000000
   74    74    1   0.0             7.884876            0.000000            3.285365
   75    75    1   0.0             7.884876            0.000000            6.570730
   76    76    1   0.0             7.884876            0.000000            9.856095
   77    77    1   0.0             7.884876            0.000000           13.141460
   78    78    1   0.0             7.884876            0.000000           16.426825
   79    79    1   0.0             7.884876            3.285365            0.000000
   80    80    1   0.0             7.884876            3.285365            3.285365
   81    81    1   0.0             7.884876            3.285365            6.570730
   82    82    1   0.0             7.884876            3.285365            9.856095
   83    83    1   0.0             7.884876            3.285365           13.141460
   84    84    1   0.0             7.884876            3.285365           16.426825
   85    85    1   0.0             7.884876            6.570730            0.000000
   86    86    1   0.0             7.884876            6.570730            3.285365
   87    87    1   0.0             7.884876            6.570730            6.570730
   88    88    1   0.0             7.884876            6.570730            9.856095
   89    89    1   0.0             7.884876            6.570730           13.141460
   90    90    1   0.0             7.884876            6.570730           16.426825
   91    91    1   0.0             7.884876            9.856095            0.000000
   92    92    1   0.0             7.884876            9.856095            3.285365
   93    93    1   0.0             7.884876            9.856095            6.570730
   94    94    1   0.0             7.884876            9.856095            9.856095
   95    95    1   0.0             7.884876            9.856095           13.141460
   96    96    1   0.0             7.884876            9.856095           16.426825
   97    97    1   0.0             7.884876           13.141460            0.000000
   98    98    1   0.0             7.884876           13.141460            3.285365
   99    99    1   0.0             7.884876           13.141460            6.570730
  100   100    1   0.0             7.884876           13.141460            9.856095
  101   101    1   0.0             7.884876           13.141460           13.141460
  102   102    1   0.0             7.884876           13.141460           16.426825
  103   103    1   0.0             7.884876           16.426825            0.000000
  104   104    1   0.0             7.884876           16.426825            3.285365
  105   105    1   0.0             7.884876           16.426825            6.570730
  106   106    1   0.0             7.884876           16.426825            9.856095
  107   107    1   0.0             7.884876           16.426825           13.141460
  108   108    1   0.0             7.884876           16.426825           16.426825
  109   109    1   0.0            11.827314            0.000000            0.000000
  110   110    1   0.0            11.827314            0.000000            3.285365
  111   111    1   0.0            11.827314            0.000000            6.570730
  112   112    1   0.0            11.827314            0.000000            9.856095
  113   113    1   0.0            11.827314            0.000000           13.141460
  114   114    1   0.0            11.827314            0.000000           16.426825
  115   115    1   0.0            11.827314            3.285365            0.000000
  116   116    1   0.0            11.827314            3.285365            3.285365
  117   117    1   0.0            11.827314            3.285365            6.570730
  118   118    1   0.0            11.827314            3.285365            9.856095
  119   119    1   0.0            11.827314            3.285365           13.141460
  120   120    1   0.0            11.827314            3.285365           16.426825
  121   121    1   0.0            11.827314            6.570730            0.000000
  122   122    1   0.0            11.827314            6.570730            3.285365
  123   123    1   0.0            11.827314            6.570730            6.570730
  124   124    1   0.0            11.827314            6.570730            9.856095
  125   125    1   0.0            11.827314            6.570730           13.141460
  126   126    1   0.0            11.827314            6.570730           16.426825
  127   127    1   0.0            11.827314            9.856095            0.000000
  128   128    1   0.0            11.827314            9.856095            3.285365
  129   129    1   0.0            11.827314            9.856095            6.570730
  130   130    1   0.0            11.827314            9.856095            9.856095
  131   131    1   0.0            11.827314            9.856095           13.141460
  132   132    1   0.0            11.827314            9.856095           16.426825
  133   133    1   0.0            11.827314           13.141460            0.000000
  134   134    1   0.0            11.827314           13.141460            3.285365
  135   135    1   0.0            11.827314           13.141460            6.570730
  136   136    1   0.0            11.827314           13.141460            9.856095
  137   137    1   0.0            11.827314           13.141460           13.141460
  138   138    1   0.0            11.827314           13.141460           16.426825
  139   139    1   0.0            11.827314           16.426825            0.000000
  140   140    1   0.0            11.827314           16.426825            3.285365
  141   141    1   0.0            11.827314           16.426825            6.570730
  142   142    1   0.0            11.827314           16.426825            9.856095
  143   143    1   0.0            11.827314           16.426825           13.141460
  144   144    1   0.0            11.827314           16.426825           16.426825
  145   145    1   0.0            15.769752            0.000000            0.000000
  146   146    1   0.0            15.769752            0.000000            3.285365
  147   147    1   0.0            15.769752            0.000000            6.570730
  148   148    1   0.0            15.769752            0.000000            9.856095
  149   149    1   0.0            15.769752            0.000000           13.141460
  150   150    1   0.0            15.769752            0.000000           16.426825
  151   151    1   0.0            15.769752            3.285365            0.000000
  152   152    1   0.0            15.769752            3.285365            3.285365
  153   153    1   0.0            15.769752            3.285365            6.570730
  154   154    1   0.0            15.769752            3.285365            9.856095
  155   155    1   0.0            15.769752            3.285365           13.141460
  156   156    1   0.0            15.769752            3.285365           16.426825
  157   157    1   0.0            15.769752            6.570730            0.000000
  158   158    1   0.0            15.769752            6.570730            3.285365
  159   159    1   0.0            15.769752            6.570730            6.570730
  160   160    1   0.0            15.769752            6.570730            9.856095
  161   161    1   0.0            15.769752            6.570730           13.141460
  162   162    1   0.0            15.769752            6.570730           16.426825
  163   163    1   0.0            15.769752            9.856095            0.000000
  164   164    1   0.0            15.769752            9.856095            3.285365
  165   165    1   0.0            15.769752            9.856095            6.570730
  166   166    1   0.0            15.769752            9.856095            9.856095
  167   167    1   0.0            15.769752            9.856095           13.141460
  168   168    1   0.0            15.769752            9.856095           16.426825
  169   169    1   0.0            15.769752           13.141460            0.000000
  170   170    1   0.0            15.769752           13.141460            3.285365
  171   171    1   0.0            15.769752           13.141460            6.570730
  172   172    1   0.0            15.769752           13.141460            9.856095
  173   173    1   0.0            15.769752           13.141460           13.141460
  174   174    1   0.0            15.769752           13.141460           16.426825
  175   175    1   0.0            15.769752           16.426825            0.000000
  176   176    1   0.0            15.769752           16.426825            3.285365
  177   177    1   0.0            15.769752           16.426825            6.570730
  178   178    1   0.0            15.769752           16.426825            9.856095
  179   179    1   0.0            15.769752           16.426825           13.141460
  180   180    1   0.0            15.769752           16.426825           16.426825