<simulation mode='static'>
   <prng>
      <seed>123456</seed>
      <state>[{"bit_generator": "MT19937", "state": {"key": [2147483648, 3937517930, 2150135538, 3482449142, 3600184337, 2193183394, 3870949520, 466887795, 1694788931, 382247763, 2565505168, 2564250736, 3547816048, 4128831427, 293226672, 881666154, 1369266778, 3204483163, 2325049, 2708179724, 1237571652, 1993078096, 4157003436, 2557478615, 3791609784, 133015286, 1322052982, 1897231026, 2257305484, 400786104, 776975173, 591145179, 1808533771, 2049898229, 3485570715, 1984709931, 1864373927, 3630755699, 2281311056, 3612254441, 217833916, 2802250141, 971383580, 3452932456, 627211621, 1298867632, 4262104640, 1625003068, 111332965, 339610725, 1438371105, 763220250, 266960750, 1777435498, 1158178530, 3496739019, 3329547059, 2531628286, 3158486648, 3760018874, 2702453011, 3212597543, 521210011, 3691282915, 2597305608, 3000553731, 2360713071, 322590301, 1703260930, 1754800259, 2140410046, 3012909618, 44044007, 3177763059, 3811329622, 572222652, 142270333, 2602722041, 2494373479, 2519584970, 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3134789651, 3743255034, 2709972545, 4219331622, 2109085356, 1082000409, 1119065908, 1898109625, 116597913, 333744963, 1132069181, 4153720463, 420793774, 842280851, 1071035089, 1879182681, 947042936, 2052636607, 2212881698, 3545571214, 1941633504, 509989634, 2173760535, 4108200901, 3255686055, 2706919679, 1397236239, 237924533, 1158433526, 343204563, 2560707750, 3475922933, 1579428718, 1162832808], "pos": 623}}]</state>
   </prng>
   <output prefix='vib'>
      <properties shape='(2)'> [ step, potential{electronvolt} ] </properties>
      <trajectory filename='xc'>x_centroid{angstrom}</trajectory>
   </output>
   <step>18</step>
   <total_steps>400</total_steps>
   <ffsocket mode='unix' name='ch4cbe'>
   </ffsocket>
   <system>
      <forces>
         <force forcefield='ch4cbe'>
         </force>
      </forces>
      <ensemble>
         <temperature>  1.00000000e+00</temperature>
         <pressure> -1.00000000e+00</pressure>
         <stress shape='(3, 3)'>
          [  -1.00000000e+00,  -1.00000000e+00,  -1.00000000e+00,  -1.00000000e+00,  -1.00000000e+00, 
             -1.00000000e+00,  -1.00000000e+00,  -1.00000000e+00,  -1.00000000e+00 ]
         </stress>
         <hamiltonian_weights shape='(1)'> [   1.00000000e+00 ] </hamiltonian_weights>
      </ensemble>
      <motion mode='vibrations'>
         <fixcom>False</fixcom>
         <fixatoms_dof shape='(1, 3)'> [ 15, 16, 17 ] </fixatoms_dof>
         <vibrations>
            <pos_shift>  1.00000000e-03</pos_shift>
            <dynmat shape='(18, 18)'>
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                 0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00 ]
            </dynmat>
            <refdynmat shape='(18, 18)'>
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                -5.19007128e-10,  -4.42862743e-10,  -1.63566746e-05,  -1.94790486e-05,  -1.01932689e-05, 
                -1.42034849e-09,   2.53908301e-05,   1.84439934e-09,   1.18255503e-05,  -2.67146298e-05, 
                -1.78477011e-05,   1.57256714e-05,  -2.40527202e-05,   1.38239793e-05,  -1.11891329e-05, 
                -1.74020372e-05,   1.42107512e-05,  -5.12880568e-10,   9.23360067e-11,  -1.22531194e-10, 
                -1.39820638e-05,  -1.01932759e-05,  -1.62676885e-05,  -1.23171242e-09,   1.84097651e-09, 
                 2.53907260e-05,   1.10150957e-05,  -1.78477541e-05,  -2.41785549e-05,  -1.31766816e-05, 
                 1.38238494e-05,  -1.91384259e-05,   1.61483423e-05,   1.42109491e-05,  -2.80634480e-05, 
                -4.40237075e-10,  -1.23406417e-10,   1.31283422e-10,   5.44213521e-06,  -9.43210916e-06, 
                -8.77111287e-06,  -1.48500849e-05,   1.18255407e-05,   1.10150883e-05,   5.26689474e-05, 
                -4.48744207e-05,  -4.17990264e-05,  -3.56000898e-06,   6.25249262e-06,   7.40210373e-06, 
                -3.28879213e-06,   7.23277523e-06,   5.14443264e-06,  -2.64358635e-10,  -1.45019594e-10, 
                -1.28402766e-10,   5.25867636e-06,  -5.16714029e-06,  -4.89473458e-06,   1.18257616e-05, 
                -2.67146255e-05,  -1.78477563e-05,  -4.48744478e-05,   9.76895055e-05,   6.77308879e-05, 
                 3.33303217e-06,  -6.09507536e-06,  -7.92679973e-06,  -4.53919941e-06,   5.79080763e-06, 
                 6.70062733e-06,  -2.08465667e-10,  -4.68292440e-11,  -7.70416595e-11,   4.56361255e-06, 
                -4.32853730e-06,  -4.10260432e-06,   1.10152585e-05,  -1.78476976e-05,  -2.41785510e-05, 
                -4.17990626e-05,   6.77308743e-05,   8.80651865e-05,  -4.80713670e-06,   7.44745256e-06, 
                 5.82898102e-06,   4.01844462e-06,  -9.24002466e-06,  -6.32793453e-06,  -1.87316976e-10, 
                -7.40204179e-11,  -2.56805532e-11,  -6.27405522e-06,   9.09978770e-06,  -5.87772875e-06, 
                -2.25429766e-05,   1.57256705e-05,  -1.31766847e-05,  -3.56000898e-06,   3.33303066e-06, 
                -4.80714275e-06,   8.18629477e-05,  -5.96778607e-05,   5.00047078e-05,   5.78893749e-06, 
                -7.03943389e-06,   6.16572407e-06,  -1.73721389e-10,  -3.02124155e-11,  -5.28717271e-11, 
                -6.83804246e-06,   5.88997989e-06,  -5.82588727e-06,   1.57260893e-05,  -2.40527171e-05, 
                 1.38238586e-05,   6.25249262e-06,  -6.09507385e-06,   7.44744501e-06,  -5.96778668e-05, 
                 8.75895237e-05,  -5.24629108e-05,   5.97741764e-06,  -4.35522241e-06,   3.12182623e-06, 
                 3.77655194e-11,   2.56805532e-11,   7.55310387e-12,  -3.58411396e-06,   5.77740843e-06, 
                -3.44227573e-06,  -1.31771490e-05,   1.38239702e-05,  -1.91384229e-05,   7.40210675e-06, 
                -7.92680728e-06,   5.82897951e-06,   5.00046912e-05,  -5.24628912e-05,   6.89408921e-05, 
                -8.33550120e-06,   6.89238705e-06,  -5.26235321e-06,  -9.06372465e-11,  -1.96380701e-11, 
                -1.35955870e-11,  -5.76549114e-06,  -5.27608777e-06,   9.85516002e-06,  -2.02684869e-05, 
                -1.11891329e-05,   1.61483335e-05,  -3.28878608e-06,  -4.53920696e-06,   4.01844613e-06, 
                 5.78894202e-06,   5.97741160e-06,  -8.33549818e-06,   7.32316881e-05,   4.24624789e-05, 
                -6.12816113e-05,  -1.72210768e-10,  -5.74035894e-11,  -2.56805532e-11,  -4.02962623e-06, 
                -3.71500169e-06,   7.22315861e-06,  -1.11895863e-05,  -1.74020337e-05,   1.42109346e-05, 
                 7.23277825e-06,   5.79080159e-06,  -9.24002164e-06,  -7.03943540e-06,  -4.35522241e-06, 
                 6.89238403e-06,   4.24624729e-05,   6.23507169e-05,  -5.39312070e-05,  -8.91266257e-11, 
                -1.51062077e-11,  -1.35955870e-11,  -5.77366058e-06,  -4.94632077e-06,   5.65397409e-06, 
                 1.61487878e-05,   1.42107635e-05,  -2.80634458e-05,   5.14442811e-06,   6.70062582e-06, 
                -6.32793604e-06,   6.16572256e-06,   3.12182321e-06,  -5.26236076e-06,  -6.12816445e-05, 
                -5.39312508e-05,   1.02810418e-04,   5.13611063e-11,   1.20849662e-11,   2.56805532e-11, 
                 0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00, 
                 0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00, 
                 0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00, 
                 0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00, 
                 0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00, 
                 0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00, 
                 0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00, 
                 0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00, 
                 0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00, 
                 0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00, 
                 0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00 ]
            </refdynmat>
         </vibrations>
      </motion>
      <beads natoms='6' nbeads='1'>
         <q shape='(1, 18)'>
          [   3.08195430e+00,   2.57505417e+00,   2.17658652e+00,   1.59676375e+00,   1.49229969e+00, 
              1.25102891e+00,   2.44371820e+00,   1.19985513e-01,  -2.72464489e-02,   3.82756463e-01, 
              2.76593540e+00,   1.83830665e-01,   4.78648724e-01,   5.08340100e-01,   2.67107115e+00, 
              1.10153457e+01,   4.11835568e+00,   3.50096326e+00 ]
         </q>
         <p shape='(1, 18)'>
          [   0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00, 
              0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00, 
              0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00,   0.00000000e+00, 
              0.00000000e+00,   0.00000000e+00,   0.00000000e+00 ]
         </p>
         <m shape='(6)'>
          [   1.83736223e+03,   2.18941669e+04,   1.83736223e+03,   1.83736223e+03,   1.83736223e+03, 
              1.83736223e+03 ]
         </m>
         <names shape='(6)'>
          [ H, C, H, H, H, 
            H ]
         </names>
      </beads>
      <cell shape='(3, 3)'>
       [   2.00000000e+02,   1.22464680e-14,   1.22464680e-14,   0.00000000e+00,   2.00000000e+02, 
           1.22464680e-14,   0.00000000e+00,   0.00000000e+00,   2.00000000e+02 ]
      </cell>
   </system>
</simulation>
