co.txt

一个很好的分子动力学程序

  2.425780E+00  2.382380E+00  2.339730E+00  2.297820E+00
  2.256630E+00  2.216150E+00  2.176370E+00  2.137280E+00
  2.098870E+00  2.061120E+00  2.024020E+00  1.987570E+00
  1.951740E+00  1.916540E+00  1.881940E+00  1.847940E+00
  1.814540E+00  1.781710E+00  1.749450E+00  1.717740E+00
  1.686590E+00  1.655970E+00  1.625890E+00  1.596330E+00
  1.567280E+00  1.538730E+00  1.510680E+00  1.483120E+00
  1.456030E+00  1.429420E+00  1.403260E+00  1.377560E+00
  1.352310E+00  1.327500E+00  1.303110E+00  1.279150E+00
  1.255610E+00  1.232470E+00  1.209740E+00  1.187410E+00
  1.165460E+00  1.143890E+00  1.122700E+00  1.101880E+00
  1.081420E+00  1.061320E+00  1.041570E+00  1.022160E+00
  1.003090E+00  9.843580E-01  9.659490E-01  9.478610E-01
  9.300890E-01  9.126290E-01  8.954720E-01  8.786160E-01
  8.620560E-01  8.457840E-01  8.297980E-01  8.140910E-01
  7.986600E-01  7.834990E-01  7.686040E-01  7.539700E-01
  7.395930E-01  7.254690E-01  7.115920E-01  6.979590E-01
  6.845670E-01  6.714090E-01  6.584830E-01  6.457850E-01
  6.333110E-01  6.210560E-01  6.090180E-01  5.971910E-01
  5.855740E-01  5.741620E-01  5.629520E-01  5.519400E-01
  5.411230E-01  5.304970E-01  5.200590E-01  5.098070E-01
  4.997370E-01  4.898450E-01  4.801290E-01  4.705860E-01
  4.612120E-01  4.520060E-01  4.429640E-01  4.340820E-01
  4.253600E-01  4.167930E-01  4.083790E-01  4.001160E-01
  3.920000E-01  3.840300E-01  3.762030E-01  3.685170E-01
  3.609680E-01  3.535550E-01  3.462760E-01  3.391280E-01
  3.321090E-01  3.252160E-01  3.184480E-01  3.118030E-01
  3.052780E-01  2.988710E-01  2.925800E-01  2.864040E-01
  2.803400E-01  2.743870E-01  2.685420E-01  2.628040E-01
  2.571700E-01  2.516400E-01  2.462110E-01  2.408820E-01
  2.356510E-01  2.305160E-01  2.254760E-01  2.205280E-01
  2.156730E-01  2.109070E-01  2.062290E-01  2.016380E-01
  1.971330E-01  1.927120E-01  1.883730E-01  1.841150E-01
  1.799370E-01  1.758370E-01  1.718140E-01  1.678680E-01
  1.639950E-01  1.601960E-01  1.564690E-01  1.528120E-01
  1.492250E-01  1.457060E-01  1.422550E-01  1.388690E-01
  1.355490E-01  1.322920E-01  1.290990E-01  1.259660E-01
  1.228950E-01  1.198830E-01  1.169300E-01  1.140340E-01
  1.111950E-01  1.084120E-01  1.056840E-01  1.030090E-01
  1.003870E-01  9.781750E-02  9.529900E-02  9.283080E-02
  9.041200E-02  8.804180E-02  8.571950E-02  8.344410E-02
  8.121480E-02  7.903110E-02  7.689200E-02  7.479680E-02
  7.274480E-02  7.073510E-02  6.876730E-02  6.684040E-02
  6.495390E-02  6.310710E-02  6.129930E-02  5.952970E-02
  5.779790E-02  5.610320E-02  5.444490E-02  5.282250E-02
  5.123530E-02  4.968270E-02  4.816420E-02  4.667920E-02
  4.522720E-02  4.380750E-02  4.241970E-02  4.106330E-02
  3.973760E-02  3.844210E-02  3.717650E-02  3.594020E-02
  3.473260E-02  3.355340E-02  3.240200E-02  3.127800E-02
  3.018100E-02  2.911040E-02  2.806590E-02  2.704700E-02
  2.605320E-02  2.508430E-02  2.413970E-02  2.321900E-02
  2.232200E-02  2.144810E-02  2.059700E-02  1.976830E-02
  1.896170E-02  1.817670E-02  1.741310E-02  1.667040E-02
  1.594840E-02  1.524670E-02  1.456500E-02  1.390280E-02
  1.326000E-02  1.263620E-02  1.203110E-02  1.144430E-02
  1.087570E-02  1.032480E-02  9.791440E-03  9.275290E-03
  8.776050E-03  8.293480E-03  7.827300E-03  7.377220E-03
  6.943030E-03  6.524430E-03  6.121170E-03  5.733030E-03
  5.359760E-03  5.001080E-03  4.656810E-03  4.326690E-03
  4.010470E-03  3.707980E-03  3.418970E-03  3.143220E-03
  2.880530E-03  2.630690E-03  2.393480E-03  2.168720E-03
  1.956200E-03  1.755720E-03  1.567100E-03  1.390160E-03
  1.224690E-03  1.070530E-03  9.274890E-04  7.953940E-04
  6.740810E-04  5.633750E-04  4.631040E-04  3.731150E-04
  2.932410E-04  2.233210E-04  1.632070E-04  1.127430E-04
  7.177570E-05  4.016300E-05  1.775730E-05  4.415650E-06
  0.000000E+00
 POTENTIAL EMBED   1   501  0.000000E+00  1.130251E+02
  0.000000E+00 -1.384331E+04 -1.397386E+04 -1.320110E+04
 -1.177939E+04 -9.846065E+03 -7.493705E+03 -4.790227E+03
 -1.787692E+03  1.472934E+03  4.958555E+03  8.641795E+03
  1.250028E+04  1.651486E+04  2.068251E+04  2.500694E+04
  2.946321E+04  3.403180E+04  3.869718E+04  4.344705E+04
  4.827165E+04  5.316251E+04  5.811326E+04  6.311832E+04
  6.817246E+04  7.327198E+04  7.841316E+04  8.359322E+04
  8.880913E+04  9.405835E+04  9.933902E+04  1.046493E+05
  1.099873E+05  1.153515E+05  1.207403E+05  1.261528E+05
  1.315897E+05  1.370510E+05  1.425331E+05  1.480361E+05
  1.535589E+05  1.590990E+05  1.646566E+05  1.702315E+05
  1.758204E+05  1.814256E+05  1.870435E+05  1.926753E+05
  1.983199E+05  2.039761E+05  2.096451E+05  2.153257E+05
  2.210237E+05  2.267448E+05  2.324846E+05  2.382429E+05
  2.440152E+05  2.498025E+05  2.556026E+05  2.614132E+05
  2.672330E+05  2.730633E+05  2.788994E+05  2.847447E+05
  2.905959E+05  2.964517E+05  3.023145E+05  3.081796E+05
  3.140504E+05  3.199248E+05  3.258015E+05  3.316817E+05
  3.375642E+05  3.434502E+05  3.493373E+05  3.552268E+05
  3.611174E+05  3.670092E+05  3.729033E+05  3.787974E+05
  3.846950E+05  3.905902E+05  3.964890E+05  4.023877E+05
  4.082876E+05  4.141887E+05  4.200886E+05  4.259908E+05
  4.318965E+05  4.378069E+05  4.437208E+05  4.496369E+05
  4.555554E+05  4.614762E+05  4.673993E+05  4.733247E+05
  4.792513E+05  4.851802E+05  4.911091E+05  4.970404E+05
  5.029716E+05  5.089040E+05  5.148376E+05  5.207711E+05
  5.267047E+05  5.326406E+05  5.385753E+05  5.445112E+05
  5.504470E+05  5.563829E+05  5.623188E+05  5.682547E+05
  5.741917E+05  5.801299E+05  5.860681E+05  5.920075E+05
  5.979480E+05  6.038897E+05  6.098313E+05  6.157730E+05
  6.217159E+05  6.276599E+05  6.336016E+05  6.395456E+05
  6.454884E+05  6.514325E+05  6.573764E+05  6.633205E+05
  6.692633E+05  6.752073E+05  6.811502E+05  6.870942E+05
  6.930382E+05  6.989810E+05  7.049250E+05  7.108667E+05
  7.168095E+05  7.227523E+05  7.286952E+05  7.346369E+05
  7.405786E+05  7.465203E+05  7.524631E+05  7.584036E+05
  7.643453E+05  7.702847E+05  7.762264E+05  7.821669E+05
  7.881063E+05  7.940468E+05  7.999873E+05  8.059255E+05
  8.118660E+05  8.178054E+05  8.237447E+05  8.296830E+05
  8.356223E+05  8.415617E+05  8.475010E+05  8.534381E+05
  8.593774E+05  8.653168E+05  8.712539E+05  8.771921E+05
  8.831313E+05  8.890673E+05  8.950055E+05  9.009437E+05
  9.068819E+05  9.128190E+05  9.187571E+05  9.246965E+05
  9.306336E+05  9.365718E+05  9.425077E+05  9.484458E+05
  9.543851E+05  9.603233E+05  9.662593E+05  9.721986E+05
  9.781369E+05  9.840751E+05  9.900132E+05  9.959503E+05
  1.001890E+06  1.007828E+06  1.013767E+06  1.019707E+06
  1.025644E+06  1.031584E+06  1.037523E+06  1.043464E+06
  1.049406E+06  1.055347E+06  1.061291E+06  1.067237E+06
  1.073181E+06  1.079128E+06  1.085074E+06  1.091022E+06
  1.096972E+06  1.102922E+06  1.108871E+06  1.114821E+06
  1.120774E+06  1.126725E+06  1.132679E+06  1.138632E+06
  1.144585E+06  1.150540E+06  1.156495E+06  1.162446E+06
  1.168411E+06  1.174364E+06  1.180318E+06  1.186283E+06
  1.192236E+06  1.198189E+06  1.204154E+06  1.210107E+06
  1.216072E+06  1.222026E+06  1.227990E+06  1.233944E+06
  1.239909E+06  1.245873E+06  1.251827E+06  1.257792E+06
  1.263757E+06  1.269710E+06  1.275675E+06  1.281640E+06
  1.287605E+06  1.293558E+06  1.299523E+06  1.305488E+06
  1.311452E+06  1.317417E+06  1.323382E+06  1.329336E+06
  1.335300E+06  1.341265E+06  1.347230E+06  1.353195E+06
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  1.526305E+06  1.532281E+06  1.538246E+06  1.544223E+06
  1.550199E+06  1.556176E+06  1.562152E+06  1.568129E+06
  1.574105E+06  1.580082E+06  1.586058E+06  1.592023E+06
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  1.645811E+06  1.651788E+06  1.657764E+06  1.663741E+06
  1.669717E+06  1.675694E+06  1.681670E+06  1.687647E+06
  1.693624E+06  1.699611E+06  1.705588E+06  1.711564E+06
  1.717541E+06  1.723517E+06  1.729494E+06  1.735470E+06
  1.741447E+06  1.747423E+06  1.753400E+06  1.759376E+06
  1.765353E+06  1.771329E+06  1.777306E+06  1.783282E+06
  1.789259E+06  1.795235E+06  1.801212E+06  1.807188E+06
  1.813165E+06  1.819141E+06  1.825118E+06  1.831106E+06
  1.837071E+06  1.843047E+06  1.849036E+06  1.855012E+06
  1.860989E+06  1.866953E+06  1.872930E+06  1.878906E+06
  1.884883E+06  1.890859E+06  1.896836E+06  1.902812E+06
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  1.932683E+06  1.938660E+06  1.944636E+06  1.950613E+06
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  2.004355E+06  2.010331E+06  2.016296E+06  2.022273E+06
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  2.790607E+06  2.796537E+06  2.802467E+06  2.808397E+06
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  2.885418E+06