 Number of CPU's =          10
Welcome to MOLECULAR DYNAMICS SIMULATION WORLD: MD-XD-ORTHO Version 2011-Mar-23
     ============== Titles in FILE07.DAT and FILE05.DAT are ==============
=====[F7]: Original Kawamura model                                      ===== 
=====[F5]: Original BMH-exp  model                                      ===== 
Option[ 1:MD......  2:START     3:ECONOMY   4:NOACCUM   5:T SCALIN  6:P SCALIN]
      [ 7:          8:BMH-EXP   9:         10:         11:         12:        ]
      [13:         14:         15:         16:         17:AMORPHOU 18:        ]
      [19:         20:         21:         22:         23:         24:CUBE    ]
      [25:         26:         27:         28:         29:         30:        ]
      [31:         32:         33:         34:         35:         36:        ]
      [37:         38:         39:         40:         41:         42:        ]
      [43:         44:         45:         46:         47:         48:        ]
      [49:         50:         51:         52:         53:         54:        ]
Started at 15:11: 9 on 2025/11/19   from       1-st step, until    1000-th step
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
    1  296-0.0143(-0.05 0.03-0.02) -1110.45   67.90  8.92 -1022.53 1.00156 11' 9
    2  298-0.0208(-0.04 0.03-0.05) -1110.36   67.83  8.91 -1022.45 1.00157 11' 9
    3  298-0.0314(-0.03 0.02-0.08) -1110.27   67.75  8.90 -1022.46 1.00158 11' 9
    4  298-0.0418(-0.02 0.01-0.11) -1110.18   67.67  8.89 -1022.46 1.00159 11' 9
    5  298-0.0517(-0.01-0.01-0.13) -1110.10   67.59  8.88 -1022.47 1.00161 11' 9
      Msd:   0.000(O)   0.003(H)   0.000( )   0.000( )   0.000( )   101.4(   10589)
    6  298-0.0603(-0.01-0.03-0.14) -1110.04   67.51  8.87 -1022.47 1.00164 11' 9
    7  299-0.0668(-0.00-0.05-0.15) -1109.99   67.44  8.87 -1022.49 1.00166 11' 9
    8  299-0.0696( 0.00-0.06-0.15) -1109.97   67.41  8.87 -1022.51 1.00168 11' 9
    9  298-0.0685( 0.01-0.07-0.14) -1109.99   67.41  8.87 -1022.53 1.00170 11' 9
   10  298-0.0630( 0.01-0.08-0.13) -1110.03   67.46  8.87 -1022.54 1.00172 11' 9
      Msd:   0.001(O)   0.010(H)   0.000( )   0.000( )   0.000( )   101.4(   10586)
   11  298-0.0537( 0.02-0.07-0.10) -1110.10   67.53  8.87 -1022.55 1.00174 11' 9
   12  297-0.0417( 0.01-0.07-0.07) -1110.19   67.63  8.88 -1022.54 1.00176 11' 9
   13  297-0.0288( 0.01-0.05-0.04) -1110.30   67.73  8.89 -1022.53 1.00177 11' 9
   14  298-0.0164( 0.00-0.04-0.01) -1110.40   67.82  8.90 -1022.53 1.00178 11' 9
   15  298-0.0055(-0.01-0.02 0.02) -1110.50   67.89  8.91 -1022.53 1.00178 11' 9
      Msd:   0.002(O)   0.019(H)   0.000( )   0.000( )   0.000( )   101.4(   10619)
   16  298 0.0031(-0.02-0.01 0.04) -1110.59   67.94  8.93 -1022.54 1.00178 11' 9
   17  299 0.0096(-0.03 0.01 0.05) -1110.67   67.98  8.95 -1022.55 1.00177 11' 9
   18  299 0.0140(-0.04 0.03 0.05) -1110.74   68.01  8.97 -1022.57 1.00177 11' 9
   19  298 0.0163(-0.04 0.04 0.05) -1110.80   68.04  8.99 -1022.59 1.00176 11' 9
   20  298 0.0165(-0.04 0.05 0.04) -1110.84   68.06  9.01 -1022.60 1.00176 11' 9
      Msd:   0.003(O)   0.029(H)   0.000( )   0.000( )   0.000( )   101.4(   10621)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
   21  298 0.0146(-0.03 0.06 0.02) -1110.87   68.06  9.03 -1022.61 1.00175 11' 9
   22  298 0.0101(-0.02 0.06-0.01) -1110.88   68.04  9.05 -1022.61 1.00175 11' 9
   23  298 0.0034(-0.02 0.06-0.04) -1110.87   68.00  9.07 -1022.62 1.00175 11' 9
   24  298-0.0054(-0.01 0.06-0.07) -1110.85   67.95  9.09 -1022.63 1.00175 11'10
   25  298-0.0149( 0.00 0.05-0.10) -1110.81   67.89  9.11 -1022.64 1.00176 11'10
      Msd:   0.004(O)   0.040(H)   0.000( )   0.000( )   0.000( )   101.4(   10650)
   26  298-0.0250( 0.01 0.04-0.12) -1110.77   67.83  9.12 -1022.65 1.00176 11'10
   27  298-0.0349( 0.01 0.02-0.14) -1110.73   67.78  9.14 -1022.66 1.00177 11'10
   28  297-0.0444( 0.01 0.01-0.15) -1110.68   67.74  9.15 -1022.66 1.00179 11'10
   29  297-0.0532( 0.01-0.01-0.16) -1110.63   67.69  9.16 -1022.65 1.00180 11'10
   30  297-0.0612( 0.01-0.03-0.16) -1110.58   67.64  9.16 -1022.64 1.00182 11'10
      Msd:   0.006(O)   0.054(H)   0.000( )   0.000( )   0.000( )   101.4(   10628)
   31  297-0.0683(-0.00-0.05-0.15) -1110.53   67.58  9.17 -1022.63 1.00184 11'10
   32  298-0.0737(-0.02-0.06-0.14) -1110.49   67.52  9.17 -1022.63 1.00187 11'10
   33  298-0.0764(-0.03-0.08-0.12) -1110.46   67.48  9.18 -1022.63 1.00189 11'10
   34  298-0.0757(-0.04-0.08-0.10) -1110.45   67.46  9.18 -1022.64 1.00191 11'10
   35  298-0.0712(-0.06-0.09-0.07) -1110.46   67.48  9.18 -1022.65 1.00193 11'10
      Msd:   0.008(O)   0.067(H)   0.000( )   0.000( )   0.000( )   101.4(   10767)
   36  297-0.0625(-0.06-0.09-0.04) -1110.50   67.54  9.17 -1022.65 1.00195 11'10
   37  297-0.0499(-0.06-0.08-0.01) -1110.56   67.63  9.16 -1022.64 1.00197 11'10
   38  297-0.0348(-0.06-0.06 0.02) -1110.63   67.74  9.15 -1022.63 1.00198 11'10
   39  296-0.0185(-0.06-0.05 0.05) -1110.71   67.85  9.14 -1022.61 1.00199 11'10
   40  297-0.0026(-0.05-0.02 0.07) -1110.78   67.96  9.12 -1022.59 1.00199 11'10
      Msd:   0.010(O)   0.080(H)   0.000( )   0.000( )   0.000( )   101.4(   10747)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
   41  297 0.0116(-0.04-0.00 0.08) -1110.84   68.05  9.10 -1022.57 1.00198 11'10
   42  297 0.0235(-0.03 0.02 0.08) -1110.88   68.12  9.09 -1022.55 1.00198 11'10
   43  297 0.0322(-0.03 0.04 0.08) -1110.90   68.17  9.07 -1022.53 1.00196 11'10
   44  297 0.0372(-0.02 0.06 0.07) -1110.90   68.20  9.05 -1022.52 1.00195 11'10
   45  297 0.0384(-0.02 0.07 0.06) -1110.88   68.19  9.04 -1022.51 1.00193 11'10
      Msd:   0.013(O)   0.091(H)   0.000( )   0.000( )   0.000( )   101.4(   10712)
   46  298 0.0357(-0.02 0.08 0.05) -1110.83   68.16  9.02 -1022.50 1.00191 11'10
   47  298 0.0306(-0.02 0.08 0.03) -1110.77   68.10  9.01 -1022.50 1.00190 11'10
   48  298 0.0236(-0.03 0.08 0.02) -1110.69   68.03  9.00 -1022.50 1.00189 11'10
   49  298 0.0160(-0.03 0.07 0.01) -1110.61   67.96  8.99 -1022.51 1.00189 11'10
   50  297 0.0089(-0.03 0.05-0.00) -1110.54   67.92  8.98 -1022.51 1.00188 11'10
      Msd:   0.016(O)   0.103(H)   0.000( )   0.000( )   0.000( )   101.4(   10694)
   51  296 0.0029(-0.02 0.04-0.01) -1110.47   67.89  8.98 -1022.50 1.00188 11'10
   52  296-0.0019(-0.01 0.02-0.01) -1110.41   67.88  8.97 -1022.47 1.00188 11'10
   53  296-0.0059(-0.00-0.00-0.01) -1110.36   67.87  8.97 -1022.44 1.00188 11'10
   54  296-0.0097( 0.00-0.02-0.01) -1110.30   67.85  8.97 -1022.40 1.00189 11'10
   55  297-0.0147( 0.01-0.04-0.01) -1110.25   67.80  8.97 -1022.36 1.00189 11'10
      Msd:   0.019(O)   0.116(H)   0.000( )   0.000( )   0.000( )   101.5(   10698)
   56  298-0.0205( 0.01-0.06-0.01) -1110.20   67.73  8.97 -1022.35 1.00190 11'10
   57  298-0.0260( 0.00-0.07-0.01) -1110.16   67.66  8.97 -1022.35 1.00191 11'10
   58  299-0.0301( 0.00-0.08-0.01) -1110.14   67.59  8.98 -1022.36 1.00192 11'10
   59  299-0.0308( 0.00-0.08-0.01) -1110.15   67.56  8.98 -1022.39 1.00193 11'10
   60  299-0.0274( 0.01-0.08-0.01) -1110.19   67.56  8.99 -1022.43 1.00193 11'10
      Msd:   0.022(O)   0.128(H)   0.000( )   0.000( )   0.000( )   101.5(   10669)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
   61  299-0.0191( 0.01-0.07 0.00) -1110.26   67.62  9.00 -1022.45 1.00194 11'10
   62  298-0.0070( 0.02-0.05 0.01) -1110.35   67.71  9.00 -1022.47 1.00194 11'10
   63  297 0.0084( 0.03-0.03 0.03) -1110.47   67.84  9.01 -1022.48 1.00194 11'10
   64  297 0.0254( 0.04-0.01 0.04) -1110.59   67.99  9.02 -1022.47 1.00193 11'10
   65  296 0.0423( 0.04 0.02 0.06) -1110.71   68.13  9.04 -1022.44 1.00192 11'10
      Msd:   0.026(O)   0.138(H)   0.000( )   0.000( )   0.000( )   101.5(   10625)
   66  296 0.0564( 0.05 0.05 0.07) -1110.82   68.24  9.05 -1022.42 1.00190 11'10
   67  297 0.0663( 0.05 0.07 0.08) -1110.90   68.32  9.06 -1022.39 1.00188 11'10
   68  297 0.0709( 0.04 0.09 0.08) -1110.95   68.34  9.07 -1022.38 1.00186 11'10
   69  298 0.0700( 0.03 0.10 0.08) -1110.97   68.33  9.09 -1022.38 1.00184 11'10
   70  299 0.0647( 0.02 0.10 0.07) -1110.96   68.27  9.10 -1022.39 1.00182 11'10
      Msd:   0.029(O)   0.146(H)   0.000( )   0.000( )   0.000( )   101.4(   10703)
   71  299 0.0555( 0.02 0.09 0.06) -1110.93   68.18  9.12 -1022.41 1.00180 11'10
   72  300 0.0439( 0.01 0.08 0.04) -1110.89   68.08  9.13 -1022.45 1.00178 11'10
   73  299 0.0322( 0.01 0.07 0.01) -1110.85   67.99  9.15 -1022.48 1.00176 11'10
   74  299 0.0218( 0.02 0.06-0.01) -1110.81   67.92  9.17 -1022.52 1.00175 11'10
   75  298 0.0134( 0.02 0.04-0.03) -1110.78   67.89  9.18 -1022.54 1.00174 11'10
      Msd:   0.033(O)   0.153(H)   0.000( )   0.000( )   0.000( )   101.5(   10664)
   76  297 0.0086( 0.04 0.03-0.04) -1110.76   67.88  9.20 -1022.55 1.00174 11'10
   77  296 0.0059( 0.05 0.03-0.06) -1110.75   67.90  9.21 -1022.53 1.00174 11'10
   78  296 0.0041( 0.06 0.02-0.07) -1110.74   67.92  9.22 -1022.51 1.00174 11'10
   79  296 0.0022( 0.06 0.01-0.07) -1110.73   67.93  9.23 -1022.47 1.00174 11'10
   80  297-0.0011( 0.06 0.01-0.07) -1110.71   67.91  9.24 -1022.45 1.00174 11'10
      Msd:   0.037(O)   0.159(H)   0.000( )   0.000( )   0.000( )   101.5(   10726)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
   81  298-0.0053( 0.05-0.00-0.06) -1110.68   67.86  9.24 -1022.43 1.00174 11'10
   82  299-0.0103( 0.04-0.02-0.06) -1110.66   67.79  9.24 -1022.43 1.00174 11'10
   83  299-0.0144( 0.03-0.03-0.05) -1110.64   67.73  9.24 -1022.45 1.00175 11'10
   84  299-0.0165( 0.02-0.04-0.03) -1110.63   67.70  9.24 -1022.48 1.00176 11'10
   85  299-0.0153( 0.02-0.04-0.02) -1110.64   67.69  9.23 -1022.51 1.00177 11'11
      Msd:   0.041(O)   0.163(H)   0.000( )   0.000( )   0.000( )   101.3(   10790)
   86  298-0.0105( 0.02-0.05-0.01) -1110.67   67.73  9.22 -1022.54 1.00177 11'11
   87  298-0.0021( 0.03-0.04 0.01) -1110.72   67.81  9.20 -1022.55 1.00178 11'11
   88  297 0.0092( 0.04-0.03 0.02) -1110.77   67.91  9.19 -1022.55 1.00177 11'11
   89  296 0.0218( 0.05-0.02 0.03) -1110.82   68.02  9.17 -1022.53 1.00176 11'11
   90  296 0.0334( 0.06 0.00 0.04) -1110.86   68.13  9.14 -1022.51 1.00175 11'11
      Msd:   0.045(O)   0.166(H)   0.000( )   0.000( )   0.000( )   101.4(   10680)
   91  296 0.0428( 0.06 0.03 0.04) -1110.88   68.20  9.12 -1022.47 1.00173 11'11
   92  296 0.0483( 0.06 0.05 0.03) -1110.88   68.24  9.09 -1022.44 1.00171 11'11
   93  297 0.0495( 0.06 0.08 0.01) -1110.85   68.23  9.06 -1022.42 1.00170 11'11
   94  298 0.0469( 0.06 0.10-0.02) -1110.80   68.19  9.04 -1022.41 1.00168 11'11
   95  298 0.0411( 0.06 0.11-0.05) -1110.73   68.13  9.02 -1022.41 1.00166 11'11
      Msd:   0.050(O)   0.167(H)   0.000( )   0.000( )   0.000( )   101.3(   10719)
   96  298 0.0329( 0.05 0.12-0.07) -1110.65   68.05  8.99 -1022.42 1.00165 11'11
   97  298 0.0247( 0.05 0.12-0.10) -1110.57   67.98  8.98 -1022.43 1.00165 11'11
   98  298 0.0174( 0.05 0.12-0.12) -1110.50   67.92  8.96 -1022.45 1.00164 11'11
   99  298 0.0120( 0.04 0.12-0.13) -1110.44   67.89  8.95 -1022.46 1.00164 11'11
  100  297 0.0096( 0.04 0.12-0.13) -1110.40   67.89  8.94 -1022.45 1.00163 11'11
      Msd:   0.054(O)   0.169(H)   0.000( )   0.000( )   0.000( )   101.4(   10671)
--------------------------------------------------------------------------------
 Avr   298-0.0035( 0.01 0.01-0.03) -1110.59   67.87  9.06 -1022.51 1.00180
 Std     0 0.0370( 0.03 0.06 0.07)     0.26    0.23  0.11     0.08 0.00011
--------------------------------------------------------------------------------
 Temperatures: O : 292 H : 300
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  Original BMH-exp  model                                       ====>>>
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  101  296 0.0096( 0.04 0.11-0.13) -1110.37   67.92  8.93 -1022.43 1.00163 11'11
  102  295 0.0117( 0.04 0.11-0.11) -1110.35   67.97  8.93 -1022.40 1.00162 11'11
  103  295 0.0144( 0.04 0.10-0.10) -1110.34   68.01  8.93 -1022.35 1.00162 11'11
  104  295 0.0158( 0.04 0.09-0.07) -1110.33   68.03  8.93 -1022.30 1.00161 11'11
  105  296 0.0154( 0.03 0.07-0.05) -1110.31   68.01  8.93 -1022.25 1.00160 11'11
      Msd:   0.059(O)   0.173(H)   0.000( )   0.000( )   0.000( )   101.5(   10675)
  106  297 0.0133( 0.02 0.05-0.03) -1110.29   67.97  8.94 -1022.23 1.00159 11'11
  107  298 0.0101( 0.01 0.03-0.01) -1110.27   67.91  8.95 -1022.23 1.00158 11'11
  108  299 0.0075(-0.00 0.02 0.01) -1110.26   67.85  8.96 -1022.24 1.00157 11'11
  109  299 0.0071(-0.00 0.01 0.02) -1110.28   67.82  8.98 -1022.27 1.00156 11'11
  110  299 0.0096(-0.00 0.00 0.03) -1110.31   67.83  8.99 -1022.30 1.00156 11'11
      Msd:   0.064(O)   0.176(H)   0.000( )   0.000( )   0.000( )   101.4(   10738)
  111  298 0.0156( 0.00 0.00 0.04) -1110.37   67.88  9.01 -1022.32 1.00154 11'11
  112  297 0.0245( 0.01 0.01 0.05) -1110.45   67.96  9.03 -1022.32 1.00153 11'11
  113  296 0.0350( 0.02 0.02 0.06) -1110.54   68.06  9.05 -1022.31 1.00150 11'11
  114  296 0.0455( 0.03 0.03 0.07) -1110.62   68.16  9.08 -1022.29 1.00148 11'11
  115  296 0.0540( 0.04 0.05 0.07) -1110.70   68.24  9.10 -1022.26 1.00145 11'11
      Msd:   0.069(O)   0.179(H)   0.000( )   0.000( )   0.000( )   101.5(   10692)
  116  297 0.0596( 0.05 0.06 0.06) -1110.76   68.27  9.13 -1022.23 1.00143 11'11
  117  298 0.0609( 0.06 0.07 0.05) -1110.80   68.27  9.16 -1022.22 1.00140 11'11
  118  298 0.0581( 0.07 0.08 0.03) -1110.83   68.24  9.19 -1022.22 1.00138 11'11
  119  299 0.0518( 0.08 0.08 0.00) -1110.83   68.18  9.21 -1022.23 1.00136 11'11
  120  299 0.0434( 0.08 0.07-0.02) -1110.83   68.12  9.24 -1022.26 1.00134 11'11
      Msd:   0.074(O)   0.181(H)   0.000( )   0.000( )   0.000( )   101.4(   10837)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  121  299 0.0344( 0.09 0.07-0.05) -1110.82   68.05  9.26 -1022.29 1.00133 11'11
  122  299 0.0256( 0.09 0.06-0.08) -1110.82   68.00  9.29 -1022.32 1.00132 11'11
  123  299 0.0182( 0.10 0.06-0.10) -1110.81   67.96  9.31 -1022.35 1.00131 11'11
  124  298 0.0125( 0.10 0.06-0.12) -1110.82   67.95  9.33 -1022.37 1.00131 11'11
  125  298 0.0088( 0.09 0.07-0.13) -1110.82   67.95  9.34 -1022.38 1.00130 11'11
      Msd:   0.079(O)   0.183(H)   0.000( )   0.000( )   0.000( )   101.3(   10896)
  126  297 0.0069( 0.08 0.07-0.13) -1110.83   67.96  9.35 -1022.37 1.00130 11'11
  127  297 0.0053( 0.07 0.08-0.13) -1110.83   67.99  9.36 -1022.36 1.00130 11'11
  128  297 0.0039( 0.05 0.08-0.12) -1110.83   68.00  9.37 -1022.34 1.00130 11'11
  129  297 0.0012( 0.03 0.08-0.10) -1110.81   67.99  9.37 -1022.32 1.00130 11'11
  130  298-0.0029( 0.00 0.07-0.09) -1110.79   67.95  9.36 -1022.31 1.00130 11'11
      Msd:   0.084(O)   0.186(H)   0.000( )   0.000( )   0.000( )   101.3(   10974)
  131  299-0.0083(-0.02 0.07-0.07) -1110.75   67.88  9.36 -1022.32 1.00130 11'11
  132  299-0.0144(-0.05 0.06-0.05) -1110.71   67.81  9.35 -1022.34 1.00131 11'11
  133  300-0.0189(-0.07 0.05-0.04) -1110.69   67.74  9.34 -1022.37 1.00132 11'11
  134  300-0.0208(-0.08 0.04-0.02) -1110.67   67.70  9.33 -1022.41 1.00133 11'11
  135  299-0.0187(-0.08 0.04-0.01) -1110.68   67.70  9.32 -1022.45 1.00134 11'11
      Msd:   0.089(O)   0.188(H)   0.000( )   0.000( )   0.000( )   101.3(   10949)
  136  298-0.0123(-0.08 0.04 0.00) -1110.71   67.74  9.31 -1022.47 1.00134 11'11
  137  298-0.0022(-0.07 0.05 0.02) -1110.75   67.82  9.29 -1022.49 1.00135 11'11
  138  297 0.0108(-0.06 0.06 0.02) -1110.80   67.93  9.27 -1022.48 1.00134 11'11
  139  297 0.0239(-0.04 0.08 0.03) -1110.85   68.02  9.25 -1022.46 1.00133 11'11
  140  297 0.0355(-0.02 0.10 0.03) -1110.90   68.10  9.23 -1022.44 1.00132 11'11
      Msd:   0.094(O)   0.189(H)   0.000( )   0.000( )   0.000( )   101.3(   11022)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  141  298 0.0438(-0.00 0.12 0.02) -1110.92   68.14  9.20 -1022.43 1.00129 11'11
  142  298 0.0490( 0.01 0.13 0.00) -1110.93   68.15  9.17 -1022.43 1.00127 11'11
  143  299 0.0506( 0.03 0.14-0.02) -1110.92   68.13  9.14 -1022.44 1.00125 11'11
  144  299 0.0492( 0.03 0.15-0.04) -1110.90   68.09  9.11 -1022.47 1.00124 11'11
  145  299 0.0463( 0.04 0.15-0.06) -1110.86   68.05  9.09 -1022.50 1.00122 11'12
      Msd:   0.099(O)   0.190(H)   0.000( )   0.000( )   0.000( )   101.4(   10890)
  146  299 0.0421( 0.05 0.15-0.07) -1110.83   68.01  9.06 -1022.54 1.00121 11'12
  147  299 0.0367( 0.04 0.15-0.08) -1110.78   67.97  9.04 -1022.57 1.00120 11'12
  148  299 0.0310( 0.04 0.14-0.09) -1110.74   67.93  9.02 -1022.59 1.00119 11'12
  149  298 0.0254( 0.03 0.13-0.09) -1110.69   67.89  9.00 -1022.61 1.00118 11'12
  150  298 0.0200( 0.02 0.11-0.08) -1110.64   67.85  8.99 -1022.62 1.00117 11'12
      Msd:   0.104(O)   0.193(H)   0.000( )   0.000( )   0.000( )   101.4(   10802)
  151  298 0.0155( 0.01 0.10-0.06) -1110.59   67.82  8.98 -1022.63 1.00116 11'12
  152  297 0.0119( 0.01 0.08-0.05) -1110.55   67.81  8.97 -1022.63 1.00116 11'12
  153  297 0.0093( 0.00 0.06-0.03) -1110.52   67.79  8.97 -1022.62 1.00115 11'12
  154  297 0.0067(-0.00 0.04-0.01) -1110.48   67.78  8.97 -1022.61 1.00114 11'12
  155  297 0.0047(-0.01 0.02 0.00) -1110.46   67.76  8.97 -1022.60 1.00114 11'12
      Msd:   0.109(O)   0.198(H)   0.000( )   0.000( )   0.000( )   101.4(   10785)
  156  298 0.0029(-0.01-0.00 0.02) -1110.43   67.73  8.97 -1022.59 1.00114 11'12
  157  298 0.0017(-0.01-0.01 0.03) -1110.42   67.70  8.97 -1022.59 1.00114 11'12
  158  298 0.0019(-0.01-0.02 0.04) -1110.42   67.68  8.97 -1022.59 1.00114 11'12
  159  298 0.0038(-0.00-0.03 0.04) -1110.44   67.68  8.98 -1022.61 1.00114 11'12
  160  298 0.0079( 0.01-0.03 0.05) -1110.47   67.70  8.99 -1022.62 1.00113 11'12
      Msd:   0.114(O)   0.204(H)   0.000( )   0.000( )   0.000( )   101.4(   10725)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  161  298 0.0148( 0.02-0.02 0.04) -1110.52   67.75  9.00 -1022.62 1.00113 11'12
  162  297 0.0233( 0.04-0.01 0.04) -1110.59   67.83  9.01 -1022.62 1.00111 11'12
  163  297 0.0325( 0.06 0.01 0.03) -1110.66   67.92  9.02 -1022.61 1.00110 11'12
  164  297 0.0413( 0.07 0.03 0.02) -1110.72   68.00  9.03 -1022.59 1.00108 11'12
  165  297 0.0484( 0.09 0.04 0.01) -1110.78   68.05  9.04 -1022.57 1.00106 11'12
      Msd:   0.119(O)   0.210(H)   0.000( )   0.000( )   0.000( )   101.4(   10774)
  166  297 0.0529( 0.11 0.06-0.01) -1110.83   68.08  9.05 -1022.55 1.00104 11'12
  167  298 0.0547( 0.12 0.08-0.03) -1110.87   68.09  9.06 -1022.55 1.00102 11'12
  168  298 0.0546( 0.12 0.09-0.05) -1110.89   68.09  9.07 -1022.56 1.00101 11'12
  169  298 0.0527( 0.12 0.10-0.06) -1110.91   68.09  9.08 -1022.57 1.00099 11'12
  170  298 0.0493( 0.12 0.10-0.08) -1110.91   68.08  9.09 -1022.58 1.00098 11'12
      Msd:   0.124(O)   0.215(H)   0.000( )   0.000( )   0.000( )   101.4(   10759)
  171  297 0.0451( 0.12 0.11-0.09) -1110.90   68.07  9.11 -1022.58 1.00096 11'12
  172  297 0.0395( 0.11 0.10-0.09) -1110.88   68.05  9.12 -1022.57 1.00095 11'12
  173  297 0.0325( 0.10 0.09-0.09) -1110.85   68.01  9.14 -1022.56 1.00094 11'12
  174  297 0.0244( 0.08 0.08-0.09) -1110.80   67.96  9.16 -1022.55 1.00093 11'12
  175  297 0.0163( 0.07 0.06-0.08) -1110.75   67.90  9.17 -1022.54 1.00092 11'12
      Msd:   0.129(O)   0.221(H)   0.000( )   0.000( )   0.000( )   101.4(   10721)
  176  297 0.0092( 0.05 0.05-0.07) -1110.70   67.85  9.20 -1022.53 1.00092 11'12
  177  297 0.0031( 0.03 0.03-0.06) -1110.66   67.80  9.22 -1022.52 1.00091 11'12
  178  296-0.0012( 0.02 0.02-0.04) -1110.62   67.78  9.23 -1022.50 1.00092 11'12
  179  296-0.0033( 0.01 0.01-0.03) -1110.60   67.77  9.25 -1022.47 1.00092 11'12
  180  296-0.0036(-0.00 0.01-0.01) -1110.59   67.77  9.27 -1022.45 1.00092 11'12
      Msd:   0.134(O)   0.228(H)   0.000( )   0.000( )   0.000( )   101.3(   10862)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  181  297-0.0025(-0.01 0.00 0.00) -1110.59   67.77  9.28 -1022.42 1.00092 11'12
  182  297 0.0000(-0.02 0.00 0.02) -1110.60   67.78  9.29 -1022.40 1.00092 11'12
  183  297 0.0036(-0.02 0.00 0.03) -1110.63   67.79  9.30 -1022.39 1.00092 11'12
  184  298 0.0084(-0.02 0.01 0.04) -1110.67   67.82  9.31 -1022.38 1.00092 11'12
  185  298 0.0149(-0.01 0.02 0.04) -1110.71   67.85  9.31 -1022.39 1.00091 11'12
      Msd:   0.139(O)   0.234(H)   0.000( )   0.000( )   0.000( )   101.3(   10868)
  186  298 0.0224(-0.00 0.03 0.04) -1110.77   67.90  9.31 -1022.39 1.00089 11'12
  187  298 0.0301( 0.01 0.05 0.04) -1110.83   67.97  9.30 -1022.40 1.00087 11'12
  188  298 0.0392( 0.02 0.06 0.03) -1110.90   68.04  9.29 -1022.41 1.00085 11'12
  189  298 0.0471( 0.04 0.07 0.03) -1110.95   68.10  9.27 -1022.41 1.00082 11'12
  190  298 0.0537( 0.05 0.09 0.03) -1110.99   68.14  9.26 -1022.42 1.00079 11'12
      Msd:   0.144(O)   0.238(H)   0.000( )   0.000( )   0.000( )   101.4(   10760)
  191  299 0.0581( 0.05 0.10 0.02) -1111.02   68.17  9.24 -1022.43 1.00076 11'12
  192  299 0.0600( 0.06 0.11 0.02) -1111.04   68.17  9.21 -1022.45 1.00073 11'12
  193  299 0.0595( 0.06 0.11 0.01) -1111.04   68.16  9.19 -1022.47 1.00069 11'12
  194  299 0.0567( 0.05 0.11 0.01) -1111.02   68.14  9.17 -1022.50 1.00066 11'12
  195  299 0.0521( 0.05 0.10 0.00) -1110.99   68.12  9.15 -1022.52 1.00062 11'12
      Msd:   0.149(O)   0.243(H)   0.000( )   0.000( )   0.000( )   101.5(   10723)
  196  298 0.0455( 0.04 0.09 0.00) -1110.94   68.08  9.14 -1022.54 1.00058 11'12
  197  298 0.0373( 0.04 0.08-0.00) -1110.87   68.03  9.13 -1022.55 1.00055 11'12
  198  298 0.0272( 0.03 0.07-0.01) -1110.80   67.96  9.11 -1022.55 1.00053 11'12
  199  298 0.0163( 0.02 0.05-0.02) -1110.72   67.88  9.10 -1022.56 1.00051 11'12
  200  298 0.0054( 0.01 0.04-0.03) -1110.63   67.79  9.10 -1022.57 1.00050 11'12
      Msd:   0.154(O)   0.248(H)   0.000( )   0.000( )   0.000( )   101.4(   10691)
--------------------------------------------------------------------------------
 Avr   298 0.0233( 0.03 0.06-0.02) -1110.70   67.95  9.14 -1022.45 1.00115
 Std     1 0.0217( 0.05 0.04 0.05)     0.20    0.15  0.14     0.12 0.00028
--------------------------------------------------------------------------------
 Temperatures: O : 292 H : 301
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  Original BMH-exp  model                                       ====>>>
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  201  298-0.0045( 0.00 0.02-0.04) -1110.55   67.70  9.09 -1022.58 1.00051 11'12
  202  298-0.0128(-0.00 0.02-0.05) -1110.49   67.63  9.09 -1022.59 1.00052 11'12
  203  298-0.0181(-0.01 0.01-0.06) -1110.44   67.58  9.08 -1022.60 1.00054 11'12
  204  298-0.0205(-0.01 0.02-0.06) -1110.41   67.56  9.08 -1022.61 1.00056 11'12
  205  298-0.0196(-0.02 0.02-0.06) -1110.40   67.55  9.08 -1022.61 1.00057 11'13
      Msd:   0.159(O)   0.255(H)   0.000( )   0.000( )   0.000( )   101.4(   10769)
  206  298-0.0165(-0.02 0.03-0.06) -1110.41   67.57  9.07 -1022.61 1.00059 11'13
  207  298-0.0110(-0.02 0.04-0.05) -1110.43   67.60  9.07 -1022.61 1.00059 11'13
  208  298-0.0034(-0.01 0.05-0.04) -1110.47   67.64  9.06 -1022.61 1.00060 11'13
  209  298 0.0057(-0.01 0.06-0.03) -1110.52   67.70  9.06 -1022.61 1.00059 11'13
  210  297 0.0160( 0.00 0.07-0.03) -1110.58   67.76  9.06 -1022.61 1.00058 11'13
      Msd:   0.164(O)   0.262(H)   0.000( )   0.000( )   0.000( )   101.4(   10766)
  211  297 0.0269( 0.02 0.08-0.02) -1110.65   67.84  9.06 -1022.61 1.00056 11'13
  212  297 0.0376( 0.04 0.09-0.01) -1110.71   67.93  9.06 -1022.60 1.00053 11'13
  213  296 0.0480( 0.06 0.09-0.00) -1110.77   68.01  9.06 -1022.58 1.00050 11'13
  214  296 0.0563( 0.08 0.09 0.01) -1110.81   68.08  9.06 -1022.56 1.00046 11'13
  215  297 0.0613( 0.09 0.08 0.01) -1110.84   68.13  9.07 -1022.53 1.00042 11'13
      Msd:   0.169(O)   0.269(H)   0.000( )   0.000( )   0.000( )   101.4(   10707)
  216  297 0.0638( 0.11 0.07 0.01) -1110.85   68.14  9.07 -1022.51 1.00038 11'13
  217  297 0.0628( 0.12 0.05 0.02) -1110.84   68.12  9.08 -1022.50 1.00034 11'13
  218  298 0.0587( 0.12 0.04 0.01) -1110.82   68.08  9.08 -1022.50 1.00030 11'13
  219  298 0.0529( 0.13 0.02 0.01) -1110.79   68.04  9.09 -1022.50 1.00027 11'13
  220  297 0.0464( 0.13 0.01 0.00) -1110.75   68.00  9.10 -1022.50 1.00024 11'13
      Msd:   0.174(O)   0.276(H)   0.000( )   0.000( )   0.000( )   101.4(   10665)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  221  297 0.0398( 0.13-0.01-0.00) -1110.71   67.97  9.11 -1022.50 1.00021 11'13
  222  297 0.0335( 0.13-0.02-0.01) -1110.67   67.94  9.13 -1022.49 1.00019 11'13
  223  297 0.0275( 0.13-0.03-0.02) -1110.64   67.91  9.14 -1022.47 1.00018 11'13
  224  297 0.0217( 0.12-0.03-0.03) -1110.60   67.87  9.16 -1022.45 1.00017 11'13
  225  297 0.0160( 0.12-0.04-0.03) -1110.56   67.84  9.18 -1022.43 1.00016 11'13
      Msd:   0.179(O)   0.284(H)   0.000( )   0.000( )   0.000( )   101.4(   10728)
  226  297 0.0112( 0.11-0.04-0.04) -1110.54   67.80  9.19 -1022.41 1.00015 11'13
  227  297 0.0076( 0.09-0.03-0.04) -1110.52   67.78  9.21 -1022.40 1.00015 11'13
  228  297 0.0054( 0.08-0.03-0.03) -1110.51   67.77  9.22 -1022.39 1.00015 11'13
  229  297 0.0046( 0.06-0.02-0.02) -1110.52   67.77  9.24 -1022.37 1.00014 11'13
  230  297 0.0051( 0.04-0.02-0.01) -1110.54   67.78  9.26 -1022.36 1.00014 11'13
      Msd:   0.184(O)   0.291(H)   0.000( )   0.000( )   0.000( )   101.3(   10747)
  231  297 0.0063( 0.02-0.01 0.01) -1110.56   67.79  9.27 -1022.35 1.00013 11'13
  232  298 0.0084( 0.00-0.01 0.03) -1110.60   67.81  9.28 -1022.35 1.00013 11'13
  233  298 0.0111(-0.01-0.00 0.05) -1110.64   67.83  9.30 -1022.35 1.00012 11'13
  234  298 0.0144(-0.02 0.00 0.06) -1110.69   67.86  9.30 -1022.36 1.00011 11'13
  235  298 0.0184(-0.03 0.01 0.08) -1110.74   67.89  9.31 -1022.37 1.00009 11'13
      Msd:   0.189(O)   0.297(H)   0.000( )   0.000( )   0.000( )   101.4(   10631)
  236  298 0.0235(-0.03 0.01 0.09) -1110.80   67.93  9.31 -1022.38 1.00008 11'13
  237  298 0.0289(-0.02 0.00 0.10) -1110.85   67.99  9.31 -1022.39 1.00006 11'13
  238  298 0.0337(-0.00-0.00 0.11) -1110.90   68.04  9.31 -1022.39 1.00003 11'13
  239  298 0.0384( 0.02-0.01 0.11) -1110.95   68.09  9.31 -1022.39 1.00001 11'13
  240  298 0.0413( 0.04-0.02 0.11) -1110.97   68.12  9.30 -1022.39 0.99999 11'13
      Msd:   0.194(O)   0.303(H)   0.000( )   0.000( )   0.000( )   101.5(   10573)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  241  298 0.0425( 0.05-0.03 0.10) -1110.99   68.13  9.29 -1022.39 0.99997 11'13
  242  299 0.0412( 0.07-0.04 0.09) -1110.98   68.11  9.28 -1022.40 0.99994 11'13
  243  299 0.0382( 0.08-0.04 0.08) -1110.97   68.08  9.27 -1022.42 0.99993 11'13
  244  299 0.0341( 0.08-0.05 0.07) -1110.94   68.05  9.26 -1022.44 0.99991 11'13
  245  298 0.0297( 0.08-0.04 0.05) -1110.91   68.02  9.25 -1022.46 0.99990 11'13
      Msd:   0.199(O)   0.309(H)   0.000( )   0.000( )   0.000( )   101.3(   10711)
  246  298 0.0252( 0.08-0.04 0.03) -1110.87   68.00  9.24 -1022.47 0.99988 11'13
  247  297 0.0208( 0.07-0.03 0.02) -1110.83   67.98  9.23 -1022.47 0.99987 11'13
  248  297 0.0156( 0.06-0.02 0.01) -1110.78   67.96  9.21 -1022.47 0.99986 11'13
  249  297 0.0102( 0.03-0.00 0.00) -1110.72   67.92  9.20 -1022.46 0.99985 11'13
  250  298 0.0043( 0.00 0.01-0.00) -1110.66   67.88  9.18 -1022.45 0.99984 11'13
      Msd:   0.204(O)   0.315(H)   0.000( )   0.000( )   0.000( )   101.4(   10754)
  251  298-0.0016(-0.03 0.03-0.01) -1110.60   67.83  9.16 -1022.45 0.99984 11'13
  252  298-0.0070(-0.06 0.04-0.00) -1110.55   67.78  9.14 -1022.46 0.99985 11'13
  253  298-0.0113(-0.09 0.05 0.00) -1110.50   67.75  9.12 -1022.46 0.99986 11'13
  254  298-0.0141(-0.11 0.06 0.01) -1110.47   67.72  9.10 -1022.47 0.99986 11'13
  255  298-0.0158(-0.14 0.07 0.02) -1110.44   67.70  9.08 -1022.48 0.99987 11'13
      Msd:   0.209(O)   0.321(H)   0.000( )   0.000( )   0.000( )   101.3(   10805)
  256  298-0.0159(-0.15 0.08 0.03) -1110.43   67.70  9.06 -1022.49 0.99988 11'13
  257  298-0.0142(-0.16 0.08 0.04) -1110.42   67.71  9.05 -1022.50 0.99988 11'13
  258  298-0.0111(-0.16 0.08 0.05) -1110.43   67.73  9.03 -1022.51 0.99989 11'13
  259  298-0.0063(-0.15 0.07 0.07) -1110.45   67.77  9.02 -1022.51 0.99989 11'13
  260  297 0.0000(-0.14 0.06 0.08) -1110.48   67.81  9.01 -1022.51 0.99989 11'13
      Msd:   0.214(O)   0.327(H)   0.000( )   0.000( )   0.000( )   101.4(   10793)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  261  297 0.0072(-0.11 0.05 0.09) -1110.52   67.87  9.00 -1022.51 0.99988 11'13
  262  297 0.0147(-0.08 0.03 0.10) -1110.56   67.93  9.00 -1022.50 0.99988 11'13
  263  297 0.0216(-0.05 0.01 0.11) -1110.60   67.98  9.00 -1022.49 0.99987 11'13
  264  297 0.0269(-0.02-0.01 0.11) -1110.64   68.02  9.00 -1022.48 0.99986 11'13
  265  297 0.0303( 0.01-0.03 0.11) -1110.67   68.04  9.00 -1022.47 0.99985 11'13
      Msd:   0.219(O)   0.333(H)   0.000( )   0.000( )   0.000( )   101.3(   10843)
  266  298 0.0318( 0.04-0.05 0.10) -1110.69   68.05  9.01 -1022.47 0.99984 11'14
  267  298 0.0306( 0.07-0.06 0.09) -1110.69   68.02  9.02 -1022.47 0.99983 11'14
  268  299 0.0274( 0.08-0.07 0.07) -1110.69   67.99  9.03 -1022.49 0.99982 11'14
  269  299 0.0234( 0.10-0.07 0.05) -1110.69   67.95  9.04 -1022.51 0.99981 11'14
  270  299 0.0184( 0.10-0.07 0.03) -1110.68   67.91  9.05 -1022.52 0.99981 11'14
      Msd:   0.224(O)   0.339(H)   0.000( )   0.000( )   0.000( )   101.2(   10876)
  271  298 0.0135( 0.10-0.07 0.01) -1110.67   67.89  9.07 -1022.54 0.99980 11'14
  272  298 0.0078( 0.09-0.06-0.00) -1110.66   67.86  9.08 -1022.55 0.99980 11'14
  273  298 0.0025( 0.07-0.05-0.02) -1110.65   67.83  9.10 -1022.56 0.99980 11'14
  274  298-0.0028( 0.06-0.04-0.02) -1110.64   67.80  9.12 -1022.56 0.99980 11'14
  275  298-0.0081( 0.03-0.03-0.03) -1110.62   67.77  9.14 -1022.56 0.99980 11'14
      Msd:   0.229(O)   0.345(H)   0.000( )   0.000( )   0.000( )   101.2(   10802)
  276  298-0.0133( 0.01-0.02-0.03) -1110.61   67.73  9.16 -1022.56 0.99981 11'14
  277  298-0.0181(-0.01-0.01-0.04) -1110.60   67.69  9.17 -1022.57 0.99982 11'14
  278  298-0.0217(-0.03 0.00-0.04) -1110.60   67.66  9.19 -1022.57 0.99983 11'14
  279  298-0.0243(-0.05 0.01-0.03) -1110.61   67.64  9.21 -1022.58 0.99984 11'14
  280  298-0.0252(-0.07 0.02-0.03) -1110.62   67.63  9.23 -1022.59 0.99985 11'14
      Msd:   0.235(O)   0.350(H)   0.000( )   0.000( )   0.000( )   101.1(   10895)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  281  298-0.0246(-0.09 0.03-0.02) -1110.65   67.64  9.25 -1022.59 0.99985 11'14
  282  298-0.0221(-0.10 0.03-0.00) -1110.68   67.66  9.27 -1022.60 0.99986 11'14
  283  297-0.0176(-0.10 0.03 0.02) -1110.72   67.70  9.28 -1022.60 0.99987 11'14
  284  297-0.0113(-0.11 0.03 0.04) -1110.77   67.74  9.29 -1022.59 0.99987 11'14
  285  297-0.0042(-0.10 0.02 0.07) -1110.82   67.80  9.30 -1022.59 0.99987 11'14
      Msd:   0.240(O)   0.355(H)   0.000( )   0.000( )   0.000( )   101.2(   10788)
  286  297 0.0034(-0.09 0.01 0.10) -1110.88   67.86  9.31 -1022.58 0.99987 11'14
  287  297 0.0107(-0.08-0.01 0.12) -1110.92   67.91  9.31 -1022.57 0.99987 11'14
  288  297 0.0174(-0.06-0.03 0.14) -1110.96   67.96  9.31 -1022.56 0.99986 11'14
  289  298 0.0226(-0.04-0.05 0.15) -1110.99   67.99  9.30 -1022.55 0.99986 11'14
  290  298 0.0265(-0.01-0.06 0.15) -1111.01   68.00  9.29 -1022.55 0.99985 11'14
      Msd:   0.245(O)   0.360(H)   0.000( )   0.000( )   0.000( )   101.2(   10703)
  291  298 0.0284( 0.01-0.07 0.15) -1111.01   68.00  9.28 -1022.55 0.99984 11'14
  292  298 0.0291( 0.03-0.07 0.13) -1111.00   68.00  9.27 -1022.56 0.99983 11'14
  293  298 0.0286( 0.05-0.07 0.11) -1110.98   67.99  9.25 -1022.57 0.99982 11'14
  294  298 0.0279( 0.06-0.06 0.09) -1110.96   67.98  9.24 -1022.58 0.99981 11'14
  295  297 0.0271( 0.06-0.04 0.06) -1110.93   67.98  9.22 -1022.58 0.99980 11'14
      Msd:   0.250(O)   0.365(H)   0.000( )   0.000( )   0.000( )   101.5(   10540)
  296  297 0.0270( 0.06-0.02 0.05) -1110.90   67.98  9.21 -1022.57 0.99979 11'14
  297  297 0.0263( 0.05-0.00 0.03) -1110.87   67.99  9.20 -1022.56 0.99978 11'14
  298  297 0.0253( 0.04 0.02 0.02) -1110.83   67.99  9.18 -1022.54 0.99977 11'14
  299  297 0.0238( 0.02 0.04 0.01) -1110.79   67.98  9.17 -1022.52 0.99976 11'14
  300  297 0.0210( 0.00 0.06-0.00) -1110.74   67.96  9.15 -1022.50 0.99975 11'14
      Msd:   0.255(O)   0.370(H)   0.000( )   0.000( )   0.000( )   101.5(   10656)
--------------------------------------------------------------------------------
 Avr   298 0.0140( 0.01 0.00 0.03) -1110.70   67.87  9.16 -1022.51 1.00003
 Std     0 0.0223( 0.08 0.04 0.06)     0.17    0.15  0.10     0.08 0.00026
--------------------------------------------------------------------------------
 Temperatures: O : 292 H : 300
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  Original BMH-exp  model                                       ====>>>
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  301  297 0.0175(-0.02 0.08-0.01) -1110.70   67.93  9.14 -1022.49 0.99974 11'14
  302  298 0.0134(-0.04 0.10-0.02) -1110.65   67.89  9.12 -1022.48 0.99973 11'14
  303  298 0.0093(-0.06 0.11-0.02) -1110.61   67.84  9.11 -1022.48 0.99973 11'14
  304  299 0.0059(-0.08 0.12-0.02) -1110.58   67.79  9.10 -1022.49 0.99973 11'14
  305  299 0.0034(-0.09 0.12-0.02) -1110.56   67.76  9.08 -1022.51 0.99973 11'14
      Msd:   0.261(O)   0.375(H)   0.000( )   0.000( )   0.000( )   101.5(   10637)
  306  299 0.0031(-0.10 0.12-0.01) -1110.55   67.75  9.07 -1022.53 0.99973 11'14
  307  298 0.0048(-0.11 0.12 0.00) -1110.56   67.77  9.06 -1022.55 0.99973 11'14
  308  298 0.0083(-0.11 0.11 0.03) -1110.58   67.80  9.05 -1022.56 0.99972 11'14
  309  297 0.0135(-0.11 0.10 0.05) -1110.61   67.86  9.04 -1022.56 0.99972 11'14
  310  297 0.0194(-0.11 0.08 0.08) -1110.65   67.92  9.04 -1022.56 0.99971 11'14
      Msd:   0.266(O)   0.380(H)   0.000( )   0.000( )   0.000( )   101.5(   10603)
  311  297 0.0253(-0.10 0.06 0.11) -1110.69   67.97  9.03 -1022.55 0.99970 11'14
  312  297 0.0295(-0.09 0.05 0.13) -1110.72   68.01  9.03 -1022.54 0.99969 11'14
  313  298 0.0320(-0.07 0.03 0.14) -1110.73   68.03  9.02 -1022.53 0.99968 11'14
  314  298 0.0319(-0.06 0.01 0.14) -1110.74   68.03  9.02 -1022.53 0.99967 11'14
  315  298 0.0298(-0.04 0.00 0.13) -1110.74   68.00  9.02 -1022.53 0.99965 11'14
      Msd:   0.271(O)   0.386(H)   0.000( )   0.000( )   0.000( )   101.5(   10583)
  316  299 0.0260(-0.02-0.01 0.11) -1110.72   67.96  9.02 -1022.55 0.99964 11'14
  317  299 0.0214(-0.00-0.01 0.08) -1110.71   67.92  9.02 -1022.57 0.99963 11'14
  318  299 0.0169( 0.01-0.01 0.05) -1110.69   67.88  9.02 -1022.59 0.99962 11'14
  319  299 0.0127( 0.02-0.01 0.03) -1110.67   67.84  9.02 -1022.62 0.99961 11'14
  320  298 0.0093( 0.03-0.01 0.01) -1110.66   67.82  9.02 -1022.63 0.99960 11'14
      Msd:   0.276(O)   0.393(H)   0.000( )   0.000( )   0.000( )   101.6(   10544)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  321  298 0.0072( 0.04-0.01-0.01) -1110.65   67.81  9.03 -1022.65 0.99960 11'14
  322  298 0.0063( 0.04-0.01-0.02) -1110.64   67.80  9.03 -1022.65 0.99960 11'14
  323  297 0.0057( 0.05-0.00-0.03) -1110.64   67.81  9.04 -1022.65 0.99959 11'14
  324  297 0.0050( 0.05 0.00-0.03) -1110.64   67.80  9.05 -1022.64 0.99959 11'14
  325  297 0.0038( 0.04 0.00-0.03) -1110.63   67.79  9.05 -1022.64 0.99959 11'14
      Msd:   0.282(O)   0.399(H)   0.000( )   0.000( )   0.000( )   101.6(   10580)
  326  298 0.0020( 0.04 0.01-0.04) -1110.62   67.76  9.06 -1022.63 0.99959 11'15
  327  298-0.0003( 0.03 0.01-0.04) -1110.61   67.72  9.07 -1022.64 0.99959 11'15
  328  299-0.0028( 0.02 0.01-0.04) -1110.60   67.68  9.08 -1022.65 0.99959 11'15
  329  299-0.0043( 0.01 0.01-0.03) -1110.60   67.64  9.10 -1022.67 0.99959 11'15
  330  299-0.0042(-0.00 0.02-0.02) -1110.62   67.63  9.11 -1022.69 0.99959 11'15
      Msd:   0.287(O)   0.405(H)   0.000( )   0.000( )   0.000( )   101.5(   10621)
  331  298-0.0019(-0.01 0.02-0.01) -1110.65   67.65  9.12 -1022.71 0.99960 11'15
  332  298 0.0028(-0.02 0.02 0.01) -1110.70   67.69  9.13 -1022.72 0.99959 11'15
  333  297 0.0097(-0.02 0.02 0.03) -1110.75   67.76  9.15 -1022.72 0.99959 11'15
  334  297 0.0181(-0.02 0.02 0.05) -1110.82   67.84  9.16 -1022.70 0.99959 11'15
  335  296 0.0262(-0.01 0.02 0.08) -1110.88   67.92  9.17 -1022.68 0.99958 11'15
      Msd:   0.292(O)   0.410(H)   0.000( )   0.000( )   0.000( )   101.5(   10543)
  336  297 0.0330(-0.01 0.01 0.09) -1110.93   67.97  9.18 -1022.66 0.99956 11'15
  337  297 0.0380( 0.01 0.01 0.10) -1110.96   68.00  9.19 -1022.64 0.99955 11'15
  338  297 0.0405( 0.02 0.00 0.10) -1110.98   68.01  9.20 -1022.63 0.99954 11'15
  339  298 0.0410( 0.03-0.00 0.09) -1110.99   68.00  9.20 -1022.62 0.99952 11'15
  340  298 0.0397( 0.05-0.00 0.07) -1110.99   67.98  9.21 -1022.63 0.99951 11'15
      Msd:   0.298(O)   0.416(H)   0.000( )   0.000( )   0.000( )   101.4(   10666)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  341  298 0.0368( 0.06-0.00 0.05) -1110.98   67.96  9.21 -1022.64 0.99950 11'15
  342  298 0.0338( 0.07-0.00 0.03) -1110.97   67.94  9.21 -1022.65 0.99949 11'15
  343  298 0.0302( 0.08 0.00 0.01) -1110.94   67.92  9.21 -1022.65 0.99948 11'15
  344  298 0.0264( 0.07 0.00 0.00) -1110.92   67.90  9.21 -1022.66 0.99947 11'15
  345  298 0.0223( 0.07 0.01-0.01) -1110.89   67.87  9.20 -1022.66 0.99946 11'15
      Msd:   0.303(O)   0.423(H)   0.000( )   0.000( )   0.000( )   101.6(   10560)
  346  298 0.0181( 0.05 0.01-0.01) -1110.85   67.85  9.19 -1022.66 0.99946 11'15
  347  297 0.0139( 0.04 0.01-0.01) -1110.82   67.82  9.19 -1022.66 0.99945 11'15
  348  297 0.0098( 0.01 0.01 0.00) -1110.77   67.80  9.18 -1022.65 0.99945 11'15
  349  298 0.0051(-0.01 0.01 0.02) -1110.73   67.76  9.17 -1022.65 0.99945 11'15
  350  298 0.0003(-0.04 0.01 0.03) -1110.69   67.72  9.16 -1022.65 0.99945 11'15
      Msd:   0.308(O)   0.429(H)   0.000( )   0.000( )   0.000( )   101.5(   10638)
  351  298-0.0047(-0.06 0.01 0.04) -1110.64   67.66  9.15 -1022.65 0.99945 11'15
  352  299-0.0093(-0.09 0.00 0.06) -1110.60   67.61  9.14 -1022.66 0.99945 11'15
  353  299-0.0131(-0.10-0.00 0.07) -1110.58   67.56  9.13 -1022.68 0.99946 11'15
  354  299-0.0145(-0.11-0.01 0.08) -1110.57   67.53  9.13 -1022.71 0.99946 11'15
  355  299-0.0132(-0.11-0.01 0.09) -1110.57   67.53  9.13 -1022.73 0.99946 11'15
      Msd:   0.314(O)   0.434(H)   0.000( )   0.000( )   0.000( )   101.4(   10685)
  356  298-0.0087(-0.11-0.02 0.10) -1110.61   67.56  9.12 -1022.75 0.99947 11'15
  357  297-0.0010(-0.09-0.02 0.11) -1110.65   67.62  9.12 -1022.76 0.99947 11'15
  358  297 0.0092(-0.07-0.02 0.12) -1110.72   67.71  9.13 -1022.75 0.99947 11'15
  359  296 0.0211(-0.04-0.02 0.13) -1110.79   67.81  9.13 -1022.74 0.99946 11'15
  360  296 0.0330(-0.01-0.02 0.13) -1110.86   67.90  9.14 -1022.71 0.99945 11'15
      Msd:   0.319(O)   0.440(H)   0.000( )   0.000( )   0.000( )   101.4(   10582)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  361  296 0.0440( 0.02-0.02 0.13) -1110.92   67.98  9.15 -1022.69 0.99943 11'15
  362  297 0.0531( 0.05-0.02 0.12) -1110.97   68.03  9.16 -1022.66 0.99942 11'15
  363  297 0.0598( 0.08-0.01 0.11) -1111.01   68.07  9.17 -1022.64 0.99939 11'15
  364  297 0.0640( 0.10-0.01 0.10) -1111.03   68.09  9.18 -1022.63 0.99937 11'15
  365  297 0.0665( 0.13-0.00 0.08) -1111.05   68.10  9.19 -1022.62 0.99934 11'15
      Msd:   0.325(O)   0.447(H)   0.000( )   0.000( )   0.000( )   101.4(   10593)
  366  297 0.0669( 0.14 0.00 0.06) -1111.05   68.09  9.20 -1022.61 0.99932 11'15
  367  297 0.0658( 0.15 0.01 0.04) -1111.05   68.09  9.21 -1022.60 0.99929 11'15
  368  297 0.0640( 0.16 0.01 0.02) -1111.04   68.07  9.22 -1022.60 0.99927 11'15
  369  297 0.0610( 0.16 0.01 0.01) -1111.03   68.06  9.23 -1022.59 0.99925 11'15
  370  297 0.0572( 0.16 0.01 0.01) -1111.01   68.05  9.23 -1022.59 0.99923 11'15
      Msd:   0.331(O)   0.453(H)   0.000( )   0.000( )   0.000( )   101.6(   10583)
  371  297 0.0529( 0.15 0.00 0.00) -1110.99   68.04  9.23 -1022.58 0.99921 11'15
  372  297 0.0475( 0.14-0.01 0.01) -1110.96   68.02  9.23 -1022.57 0.99919 11'15
  373  297 0.0410( 0.13-0.02 0.01) -1110.93   68.00  9.23 -1022.57 0.99917 11'15
  374  297 0.0345( 0.12-0.03 0.01) -1110.90   67.97  9.23 -1022.56 0.99916 11'15
  375  298 0.0271( 0.11-0.04 0.01) -1110.86   67.91  9.23 -1022.55 0.99915 11'15
      Msd:   0.336(O)   0.458(H)   0.000( )   0.000( )   0.000( )   101.5(   10625)
  376  299 0.0186( 0.10-0.05 0.01) -1110.82   67.85  9.23 -1022.56 0.99914 11'15
  377  299 0.0101( 0.08-0.05 0.00) -1110.78   67.78  9.22 -1022.58 0.99914 11'15
  378  299 0.0030( 0.07-0.05-0.01) -1110.76   67.71  9.22 -1022.60 0.99913 11'15
  379  299-0.0020( 0.06-0.05-0.02) -1110.75   67.67  9.22 -1022.64 0.99913 11'15
  380  299-0.0039( 0.05-0.04-0.02) -1110.75   67.66  9.22 -1022.67 0.99914 11'15
      Msd:   0.342(O)   0.463(H)   0.000( )   0.000( )   0.000( )   101.4(   10594)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  381  298-0.0027( 0.05-0.03-0.02) -1110.77   67.69  9.22 -1022.69 0.99914 11'15
  382  298 0.0018( 0.04-0.02-0.02) -1110.81   67.74  9.22 -1022.70 0.99914 11'15
  383  297 0.0079( 0.04-0.01-0.01) -1110.86   67.80  9.22 -1022.69 0.99913 11'15
  384  297 0.0144( 0.04-0.00 0.01) -1110.90   67.86  9.22 -1022.69 0.99912 11'15
  385  297 0.0208( 0.04 0.00 0.02) -1110.94   67.90  9.22 -1022.68 0.99911 11'15
      Msd:   0.348(O)   0.468(H)   0.000( )   0.000( )   0.000( )   101.5(   10549)
  386  298 0.0262( 0.03 0.01 0.04) -1110.98   67.93  9.21 -1022.67 0.99909 11'15
  387  298 0.0308( 0.03 0.01 0.05) -1111.01   67.95  9.21 -1022.67 0.99907 11'16
  388  298 0.0343( 0.03 0.01 0.06) -1111.03   67.97  9.20 -1022.68 0.99905 11'16
  389  298 0.0375( 0.04 0.01 0.07) -1111.05   67.98  9.19 -1022.69 0.99903 11'16
  390  298 0.0401( 0.05 0.01 0.07) -1111.06   68.00  9.18 -1022.71 0.99901 11'16
      Msd:   0.353(O)   0.473(H)   0.000( )   0.000( )   0.000( )   101.5(   10568)
  391  298 0.0423( 0.06 0.01 0.06) -1111.07   68.03  9.16 -1022.72 0.99899 11'16
  392  298 0.0438( 0.07 0.01 0.05) -1111.08   68.05  9.15 -1022.72 0.99897 11'16
  393  298 0.0445( 0.08 0.01 0.04) -1111.08   68.07  9.13 -1022.72 0.99895 11'16
  394  297 0.0442( 0.09 0.01 0.03) -1111.07   68.09  9.11 -1022.72 0.99894 11'16
  395  297 0.0424( 0.09 0.01 0.02) -1111.05   68.10  9.10 -1022.71 0.99892 11'16
      Msd:   0.359(O)   0.478(H)   0.000( )   0.000( )   0.000( )   101.4(   10593)
  396  297 0.0385( 0.09 0.01 0.01) -1111.01   68.09  9.08 -1022.71 0.99890 11'16
  397  297 0.0323( 0.09-0.00 0.01) -1110.96   68.07  9.06 -1022.70 0.99888 11'16
  398  297 0.0242( 0.08-0.01 0.00) -1110.90   68.02  9.04 -1022.69 0.99887 11'16
  399  298 0.0141( 0.07-0.02-0.00) -1110.82   67.95  9.03 -1022.68 0.99886 11'16
  400  298 0.0031( 0.05-0.03-0.01) -1110.74   67.86  9.02 -1022.68 0.99886 11'16
      Msd:   0.365(O)   0.484(H)   0.000( )   0.000( )   0.000( )   101.3(   10619)
--------------------------------------------------------------------------------
 Avr   298 0.0217( 0.02 0.01 0.04) -1110.81   67.87  9.14 -1022.64 0.99939
 Std     0 0.0205( 0.07 0.04 0.05)     0.17    0.15  0.07     0.07 0.00025
--------------------------------------------------------------------------------
 Temperatures: O : 296 H : 299
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  Original BMH-exp  model                                       ====>>>
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  401  299-0.0083( 0.03-0.04-0.01) -1110.65   67.76  9.01 -1022.69 0.99887 11'16
  402  299-0.0191( 0.01-0.05-0.02) -1110.58   67.66  9.00 -1022.71 0.99887 11'16
  403  299-0.0282(-0.01-0.06-0.02) -1110.51   67.58  8.99 -1022.74 0.99888 11'16
  404  299-0.0342(-0.03-0.06-0.01) -1110.47   67.52  8.99 -1022.76 0.99890 11'16
  405  298-0.0360(-0.04-0.06-0.00) -1110.46   67.50  9.00 -1022.78 0.99891 11'16
      Msd:   0.370(O)   0.490(H)   0.000( )   0.000( )   0.000( )   101.3(   10681)
  406  298-0.0342(-0.05-0.06 0.01) -1110.46   67.51  9.00 -1022.79 0.99892 11'16
  407  297-0.0288(-0.06-0.05 0.03) -1110.49   67.56  9.01 -1022.79 0.99893 11'16
  408  297-0.0200(-0.06-0.04 0.04) -1110.54   67.62  9.02 -1022.78 0.99893 11'16
  409  297-0.0100(-0.06-0.03 0.06) -1110.60   67.69  9.04 -1022.76 0.99894 11'16
  410  297 0.0005(-0.05-0.01 0.07) -1110.66   67.74  9.05 -1022.74 0.99894 11'16
      Msd:   0.376(O)   0.496(H)   0.000( )   0.000( )   0.000( )   101.3(   10627)
  411  297 0.0109(-0.05 0.01 0.07) -1110.73   67.79  9.07 -1022.73 0.99893 11'16
  412  298 0.0211(-0.03 0.03 0.07) -1110.80   67.83  9.08 -1022.73 0.99893 11'16
  413  298 0.0310(-0.02 0.05 0.06) -1110.87   67.88  9.10 -1022.73 0.99892 11'16
  414  298 0.0401( 0.01 0.08 0.04) -1110.95   67.94  9.11 -1022.74 0.99890 11'16
  415  298 0.0490( 0.03 0.10 0.01) -1111.03   68.00  9.12 -1022.74 0.99889 11'16
      Msd:   0.382(O)   0.502(H)   0.000( )   0.000( )   0.000( )   101.4(   10647)
  416  298 0.0572( 0.06 0.12-0.01) -1111.10   68.07  9.13 -1022.74 0.99887 11'16
  417  297 0.0633( 0.09 0.13-0.04) -1111.16   68.13  9.14 -1022.74 0.99885 11'16
  418  297 0.0672( 0.12 0.14-0.06) -1111.21   68.17  9.15 -1022.74 0.99883 11'16
  419  298 0.0677( 0.15 0.13-0.08) -1111.24   68.19  9.16 -1022.73 0.99881 11'16
  420  298 0.0645( 0.17 0.12-0.09) -1111.24   68.18  9.17 -1022.73 0.99879 11'16
      Msd:   0.387(O)   0.509(H)   0.000( )   0.000( )   0.000( )   101.3(   10702)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  421  298 0.0576( 0.18 0.09-0.10) -1111.22   68.13  9.17 -1022.74 0.99877 11'16
  422  299 0.0473( 0.19 0.06-0.11) -1111.18   68.06  9.18 -1022.75 0.99876 11'16
  423  299 0.0343( 0.19 0.03-0.11) -1111.12   67.96  9.18 -1022.77 0.99875 11'16
  424  299 0.0196( 0.18-0.01-0.11) -1111.04   67.85  9.19 -1022.79 0.99874 11'16
  425  299 0.0049( 0.16-0.05-0.10) -1110.96   67.73  9.20 -1022.82 0.99874 11'16
      Msd:   0.393(O)   0.516(H)   0.000( )   0.000( )   0.000( )   101.3(   10756)
  426  299-0.0089( 0.14-0.08-0.09) -1110.89   67.62  9.21 -1022.85 0.99874 11'16
  427  299-0.0212( 0.12-0.11-0.08) -1110.82   67.53  9.22 -1022.87 0.99875 11'16
  428  299-0.0305( 0.10-0.13-0.06) -1110.77   67.45  9.23 -1022.90 0.99876 11'16
  429  298-0.0359( 0.08-0.14-0.04) -1110.74   67.40  9.23 -1022.92 0.99878 11'16
  430  298-0.0373( 0.05-0.14-0.02) -1110.73   67.39  9.24 -1022.93 0.99880 11'16
      Msd:   0.398(O)   0.522(H)   0.000( )   0.000( )   0.000( )   101.3(   10762)
  431  297-0.0342( 0.03-0.13-0.00) -1110.74   67.42  9.25 -1022.93 0.99881 11'16
  432  297-0.0274( 0.02-0.11 0.02) -1110.78   67.47  9.26 -1022.92 0.99883 11'16
  433  297-0.0183( 0.00-0.09 0.03) -1110.82   67.54  9.27 -1022.91 0.99884 11'16
  434  297-0.0075(-0.01-0.06 0.04) -1110.88   67.60  9.27 -1022.89 0.99884 11'16
  435  297 0.0029(-0.01-0.03 0.05) -1110.94   67.65  9.28 -1022.87 0.99884 11'16
      Msd:   0.403(O)   0.528(H)   0.000( )   0.000( )   0.000( )   101.4(   10661)
  436  298 0.0133(-0.01-0.00 0.05) -1110.99   67.69  9.28 -1022.86 0.99883 11'16
  437  298 0.0236(-0.00 0.02 0.05) -1111.05   67.74  9.28 -1022.87 0.99882 11'16
  438  298 0.0342( 0.02 0.05 0.04) -1111.12   67.79  9.28 -1022.88 0.99880 11'16
  439  298 0.0449( 0.04 0.07 0.03) -1111.18   67.86  9.27 -1022.89 0.99878 11'16
  440  298 0.0561( 0.07 0.08 0.01) -1111.25   67.94  9.26 -1022.89 0.99875 11'16
      Msd:   0.409(O)   0.533(H)   0.000( )   0.000( )   0.000( )   101.5(   10592)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  441  297 0.0665( 0.10 0.10 0.00) -1111.31   68.03  9.25 -1022.89 0.99872 11'16
  442  297 0.0749( 0.13 0.10-0.01) -1111.35   68.12  9.23 -1022.88 0.99869 11'16
  443  297 0.0812( 0.16 0.10-0.02) -1111.38   68.18  9.21 -1022.86 0.99866 11'16
  444  297 0.0836( 0.18 0.09-0.02) -1111.38   68.22  9.19 -1022.85 0.99863 11'16
  445  297 0.0814( 0.19 0.08-0.02) -1111.35   68.22  9.16 -1022.83 0.99860 11'16
      Msd:   0.414(O)   0.539(H)   0.000( )   0.000( )   0.000( )   101.5(   10584)
  446  298 0.0748( 0.18 0.06-0.02) -1111.29   68.17  9.13 -1022.83 0.99857 11'16
  447  298 0.0638( 0.17 0.04-0.01) -1111.20   68.10  9.10 -1022.83 0.99854 11'17
  448  298 0.0496( 0.14 0.01-0.00) -1111.09   68.00  9.07 -1022.84 0.99852 11'17
  449  298 0.0336( 0.11-0.02 0.01) -1110.97   67.89  9.04 -1022.86 0.99850 11'17
  450  298 0.0172( 0.07-0.04 0.03) -1110.84   67.78  9.02 -1022.87 0.99849 11'17
      Msd:   0.420(O)   0.545(H)   0.000( )   0.000( )   0.000( )   101.6(   10498)
  451  298 0.0023( 0.03-0.06 0.04) -1110.72   67.67  9.00 -1022.88 0.99849 11'17
  452  298-0.0109(-0.01-0.08 0.05) -1110.61   67.58  8.98 -1022.88 0.99849 11'17
  453  297-0.0208(-0.04-0.08 0.06) -1110.52   67.51  8.97 -1022.89 0.99850 11'17
  454  297-0.0272(-0.07-0.08 0.07) -1110.46   67.47  8.97 -1022.88 0.99851 11'17
  455  297-0.0292(-0.10-0.06 0.07) -1110.42   67.47  8.97 -1022.87 0.99852 11'17
      Msd:   0.425(O)   0.551(H)   0.000( )   0.000( )   0.000( )   101.6(   10512)
  456  296-0.0268(-0.11-0.04 0.07) -1110.41   67.51  8.97 -1022.85 0.99853 11'17
  457  296-0.0208(-0.11-0.01 0.06) -1110.43   67.56  8.97 -1022.81 0.99854 11'17
  458  296-0.0119(-0.11 0.02 0.06) -1110.47   67.64  8.98 -1022.78 0.99854 11'17
  459  296-0.0016(-0.10 0.04 0.05) -1110.52   67.70  8.99 -1022.74 0.99854 11'17
  460  297 0.0098(-0.08 0.07 0.03) -1110.59   67.77  9.00 -1022.71 0.99854 11'17
      Msd:   0.431(O)   0.556(H)   0.000( )   0.000( )   0.000( )   101.4(   10531)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  461  297 0.0218(-0.05 0.10 0.02) -1110.67   67.83  9.01 -1022.69 0.99853 11'17
  462  297 0.0347(-0.02 0.12 0.00) -1110.76   67.91  9.02 -1022.68 0.99851 11'17
  463  297 0.0484( 0.02 0.14-0.01) -1110.85   68.00  9.03 -1022.68 0.99849 11'17
  464  297 0.0628( 0.06 0.16-0.03) -1110.96   68.10  9.04 -1022.68 0.99847 11'17
  465  297 0.0774( 0.10 0.17-0.04) -1111.06   68.22  9.05 -1022.67 0.99845 11'17
      Msd:   0.436(O)   0.561(H)   0.000( )   0.000( )   0.000( )   101.4(   10523)
  466  297 0.0910( 0.14 0.19-0.05) -1111.17   68.33  9.06 -1022.65 0.99842 11'17
  467  297 0.1020( 0.17 0.19-0.06) -1111.25   68.43  9.06 -1022.64 0.99839 11'17
  468  297 0.1091( 0.20 0.19-0.06) -1111.31   68.50  9.07 -1022.62 0.99836 11'17
  469  297 0.1113( 0.21 0.18-0.05) -1111.35   68.52  9.07 -1022.61 0.99832 11'17
  470  298 0.1083( 0.22 0.15-0.05) -1111.35   68.51  9.08 -1022.60 0.99829 11'17
      Msd:   0.442(O)   0.566(H)   0.000( )   0.000( )   0.000( )   101.4(   10562)
  471  298 0.1003( 0.21 0.12-0.03) -1111.32   68.45  9.08 -1022.61 0.99825 11'17
  472  299 0.0874( 0.20 0.08-0.02) -1111.27   68.37  9.08 -1022.62 0.99821 11'17
  473  299 0.0708( 0.18 0.04-0.00) -1111.19   68.25  9.08 -1022.65 0.99818 11'17
  474  299 0.0527( 0.15-0.01 0.01) -1111.09   68.12  9.09 -1022.67 0.99815 11'17
  475  299 0.0340( 0.12-0.04 0.02) -1110.99   67.99  9.10 -1022.70 0.99813 11'17
      Msd:   0.447(O)   0.572(H)   0.000( )   0.000( )   0.000( )   101.3(   10598)
  476  299 0.0169( 0.09-0.07 0.03) -1110.89   67.86  9.11 -1022.72 0.99813 11'17
  477  299 0.0019( 0.07-0.09 0.03) -1110.81   67.76  9.11 -1022.75 0.99813 11'17
  478  298-0.0095( 0.04-0.10 0.03) -1110.75   67.68  9.12 -1022.77 0.99813 11'17
  479  298-0.0162( 0.02-0.09 0.03) -1110.71   67.64  9.13 -1022.78 0.99814 11'17
  480  297-0.0180( 0.00-0.08 0.02) -1110.70   67.64  9.15 -1022.78 0.99815 11'17
      Msd:   0.452(O)   0.577(H)   0.000( )   0.000( )   0.000( )   101.5(   10546)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  481  297-0.0151(-0.01-0.05 0.02) -1110.71   67.67  9.16 -1022.77 0.99816 11'17
  482  296-0.0085(-0.01-0.03 0.02) -1110.74   67.71  9.17 -1022.75 0.99816 11'17
  483  297 0.0003(-0.01-0.00 0.02) -1110.79   67.76  9.18 -1022.72 0.99816 11'17
  484  297 0.0107(-0.01 0.02 0.02) -1110.85   67.81  9.19 -1022.71 0.99816 11'17
  485  298 0.0223( 0.00 0.04 0.03) -1110.92   67.86  9.20 -1022.70 0.99815 11'17
      Msd:   0.458(O)   0.581(H)   0.000( )   0.000( )   0.000( )   101.6(   10467)
  486  298 0.0354( 0.02 0.05 0.03) -1111.01   67.92  9.21 -1022.71 0.99813 11'17
  487  298 0.0496( 0.04 0.07 0.04) -1111.10   67.99  9.21 -1022.72 0.99811 11'17
  488  298 0.0653( 0.07 0.08 0.05) -1111.21   68.09  9.21 -1022.73 0.99809 11'17
  489  298 0.0820( 0.09 0.10 0.06) -1111.32   68.21  9.21 -1022.74 0.99807 11'17
  490  297 0.0980( 0.12 0.11 0.07) -1111.42   68.33  9.21 -1022.74 0.99804 11'17
      Msd:   0.463(O)   0.585(H)   0.000( )   0.000( )   0.000( )   101.7(   10433)
  491  297 0.1124( 0.14 0.12 0.08) -1111.51   68.44  9.20 -1022.73 0.99800 11'17
  492  297 0.1228( 0.16 0.13 0.09) -1111.56   68.53  9.19 -1022.71 0.99797 11'17
  493  297 0.1278( 0.16 0.13 0.09) -1111.58   68.56  9.18 -1022.70 0.99793 11'17
  494  298 0.1272( 0.16 0.12 0.10) -1111.56   68.55  9.16 -1022.69 0.99789 11'17
  495  298 0.1209( 0.15 0.10 0.11) -1111.49   68.48  9.14 -1022.69 0.99785 11'17
      Msd:   0.469(O)   0.590(H)   0.000( )   0.000( )   0.000( )   101.7(   10434)
  496  299 0.1095( 0.13 0.09 0.11) -1111.40   68.38  9.12 -1022.71 0.99781 11'17
  497  299 0.0945( 0.10 0.07 0.11) -1111.28   68.25  9.10 -1022.73 0.99778 11'17
  498  299 0.0775( 0.06 0.05 0.12) -1111.14   68.11  9.08 -1022.75 0.99775 11'17
  499  299 0.0602( 0.02 0.04 0.12) -1111.00   67.97  9.06 -1022.77 0.99772 11'17
  500  298 0.0442(-0.02 0.04 0.12) -1110.87   67.85  9.05 -1022.80 0.99770 11'17
      Msd:   0.474(O)   0.596(H)   0.000( )   0.000( )   0.000( )   101.7(   10437)
--------------------------------------------------------------------------------
 Avr   298 0.0328( 0.06 0.03 0.01) -1110.96   67.91  9.12 -1022.77 0.99850
 Std     0 0.0470( 0.09 0.09 0.06)     0.31    0.32  0.09     0.08 0.00035
--------------------------------------------------------------------------------
 Temperatures: O : 301 H : 296
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  Original BMH-exp  model                                       ====>>>
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  501  298 0.0310(-0.07 0.04 0.12) -1110.76   67.74  9.03 -1022.81 0.99769 11'17
  502  298 0.0214(-0.10 0.05 0.11) -1110.67   67.68  9.02 -1022.82 0.99768 11'17
  503  297 0.0166(-0.13 0.07 0.11) -1110.62   67.64  9.02 -1022.82 0.99768 11'17
  504  297 0.0160(-0.15 0.09 0.11) -1110.59   67.64  9.02 -1022.81 0.99767 11'17
  505  296 0.0196(-0.16 0.11 0.11) -1110.59   67.67  9.02 -1022.79 0.99767 11'17
      Msd:   0.479(O)   0.602(H)   0.000( )   0.000( )   0.000( )   101.6(   10543)
  506  296 0.0268(-0.16 0.12 0.12) -1110.62   67.73  9.03 -1022.76 0.99766 11'17
  507  296 0.0367(-0.15 0.13 0.13) -1110.67   67.79  9.04 -1022.73 0.99765 11'17
  508  296 0.0481(-0.12 0.13 0.14) -1110.73   67.86  9.05 -1022.71 0.99763 11'18
  509  297 0.0605(-0.09 0.12 0.15) -1110.80   67.93  9.06 -1022.69 0.99761 11'18
  510  297 0.0732(-0.05 0.11 0.16) -1110.89   67.99  9.08 -1022.67 0.99759 11'18
      Msd:   0.485(O)   0.606(H)   0.000( )   0.000( )   0.000( )   101.5(   10561)
  511  298 0.0862(-0.01 0.10 0.17) -1110.98   68.05  9.09 -1022.67 0.99756 11'18
  512  298 0.0992( 0.03 0.09 0.18) -1111.07   68.13  9.11 -1022.67 0.99752 11'18
  513  298 0.1128( 0.08 0.08 0.18) -1111.18   68.22  9.13 -1022.68 0.99748 11'18
  514  297 0.1261( 0.12 0.08 0.18) -1111.28   68.32  9.14 -1022.67 0.99744 11'18
  515  297 0.1386( 0.16 0.08 0.18) -1111.37   68.43  9.16 -1022.66 0.99740 11'18
      Msd:   0.490(O)   0.609(H)   0.000( )   0.000( )   0.000( )   101.4(   10590)
  516  296 0.1484( 0.20 0.08 0.17) -1111.45   68.53  9.17 -1022.65 0.99735 11'18
  517  296 0.1541( 0.22 0.07 0.16) -1111.50   68.59  9.18 -1022.62 0.99729 11'18
  518  297 0.1543( 0.25 0.07 0.15) -1111.51   68.61  9.18 -1022.60 0.99723 11'18
  519  297 0.1489( 0.26 0.06 0.13) -1111.49   68.58  9.19 -1022.58 0.99717 11'18
  520  298 0.1381( 0.26 0.04 0.11) -1111.44   68.50  9.19 -1022.58 0.99711 11'18
      Msd:   0.496(O)   0.615(H)   0.000( )   0.000( )   0.000( )   101.4(   10662)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  521  299 0.1226( 0.25 0.03 0.09) -1111.36   68.39  9.19 -1022.59 0.99706 11'18
  522  299 0.1035( 0.23 0.02 0.07) -1111.26   68.26  9.19 -1022.61 0.99700 11'18
  523  299 0.0830( 0.19 0.01 0.05) -1111.15   68.13  9.19 -1022.63 0.99694 11'18
  524  299 0.0627( 0.15 0.00 0.03) -1111.04   68.01  9.19 -1022.65 0.99690 11'18
  525  298 0.0438( 0.11 0.01 0.02) -1110.94   67.89  9.19 -1022.67 0.99686 11'18
      Msd:   0.501(O)   0.623(H)   0.000( )   0.000( )   0.000( )   101.4(   10711)
  526  298 0.0277( 0.06 0.01 0.01) -1110.85   67.80  9.19 -1022.69 0.99684 11'18
  527  298 0.0154( 0.02 0.03 0.00) -1110.78   67.73  9.19 -1022.70 0.99682 11'18
  528  298 0.0071(-0.02 0.04 0.00) -1110.74   67.68  9.19 -1022.70 0.99682 11'18
  529  298 0.0029(-0.04 0.05 0.00) -1110.72   67.67  9.19 -1022.71 0.99682 11'18
  530  297 0.0027(-0.05 0.05 0.01) -1110.72   67.67  9.20 -1022.71 0.99681 11'18
      Msd:   0.506(O)   0.629(H)   0.000( )   0.000( )   0.000( )   101.5(   10599)
  531  297 0.0065(-0.05 0.05 0.02) -1110.74   67.70  9.20 -1022.70 0.99681 11'18
  532  297 0.0139(-0.04 0.05 0.03) -1110.79   67.75  9.21 -1022.69 0.99680 11'18
  533  297 0.0236(-0.02 0.04 0.05) -1110.85   67.82  9.21 -1022.68 0.99679 11'18
  534  297 0.0357( 0.01 0.02 0.07) -1110.93   67.90  9.22 -1022.67 0.99677 11'18
  535  297 0.0487( 0.05 0.00 0.09) -1111.01   67.99  9.22 -1022.66 0.99674 11'18
      Msd:   0.511(O)   0.634(H)   0.000( )   0.000( )   0.000( )   101.4(   10649)
  536  297 0.0622( 0.09-0.01 0.11) -1111.10   68.09  9.22 -1022.65 0.99670 11'18
  537  297 0.0757( 0.13-0.03 0.13) -1111.18   68.20  9.22 -1022.64 0.99667 11'18
  538  297 0.0887( 0.16-0.04 0.14) -1111.26   68.30  9.21 -1022.63 0.99664 11'18
  539  297 0.1001( 0.19-0.04 0.15) -1111.33   68.41  9.20 -1022.61 0.99660 11'18
  540  296 0.1093( 0.22-0.04 0.15) -1111.38   68.49  9.19 -1022.59 0.99657 11'18
      Msd:   0.516(O)   0.639(H)   0.000( )   0.000( )   0.000( )   101.4(   10653)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  541  296 0.1147( 0.23-0.04 0.15) -1111.39   68.55  9.17 -1022.56 0.99653 11'18
  542  297 0.1154( 0.24-0.03 0.14) -1111.37   68.57  9.15 -1022.54 0.99649 11'18
  543  297 0.1109( 0.23-0.03 0.13) -1111.32   68.53  9.13 -1022.52 0.99645 11'18
  544  298 0.1018( 0.22-0.03 0.12) -1111.23   68.46  9.10 -1022.51 0.99640 11'18
  545  298 0.0888( 0.19-0.02 0.10) -1111.12   68.36  9.08 -1022.52 0.99635 11'18
      Msd:   0.521(O)   0.645(H)   0.000( )   0.000( )   0.000( )   101.5(   10604)
  546  298 0.0735( 0.16-0.02 0.08) -1110.99   68.25  9.05 -1022.52 0.99631 11'18
  547  298 0.0574( 0.11-0.01 0.07) -1110.86   68.13  9.02 -1022.53 0.99627 11'18
  548  298 0.0422( 0.07 0.00 0.06) -1110.74   68.03  9.00 -1022.54 0.99623 11'18
  549  298 0.0290( 0.02 0.02 0.04) -1110.63   67.94  8.98 -1022.54 0.99621 11'18
  550  298 0.0177(-0.02 0.04 0.03) -1110.53   67.87  8.96 -1022.54 0.99620 11'18
      Msd:   0.526(O)   0.653(H)   0.000( )   0.000( )   0.000( )   101.4(   10702)
  551  298 0.0094(-0.05 0.06 0.02) -1110.46   67.81  8.95 -1022.55 0.99619 11'18
  552  298 0.0045(-0.08 0.08 0.01) -1110.42   67.78  8.93 -1022.55 0.99619 11'18
  553  298 0.0033(-0.09 0.09 0.00) -1110.40   67.77  8.92 -1022.55 0.99619 11'18
  554  298 0.0054(-0.08 0.10-0.00) -1110.41   67.79  8.92 -1022.55 0.99618 11'18
  555  297 0.0111(-0.07 0.11-0.00) -1110.44   67.84  8.91 -1022.55 0.99618 11'18
      Msd:   0.531(O)   0.658(H)   0.000( )   0.000( )   0.000( )   101.3(   10692)
  556  297 0.0193(-0.05 0.11-0.00) -1110.50   67.91  8.91 -1022.54 0.99616 11'18
  557  297 0.0293(-0.02 0.11 0.01) -1110.56   68.00  8.91 -1022.53 0.99615 11'18
  558  297 0.0394( 0.01 0.10 0.01) -1110.64   68.09  8.92 -1022.51 0.99612 11'18
  559  297 0.0484( 0.03 0.09 0.02) -1110.71   68.16  8.92 -1022.49 0.99609 11'18
  560  298 0.0556( 0.06 0.08 0.03) -1110.77   68.21  8.93 -1022.48 0.99606 11'18
      Msd:   0.536(O)   0.661(H)   0.000( )   0.000( )   0.000( )   101.3(   10668)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  561  298 0.0608( 0.08 0.07 0.04) -1110.82   68.24  8.93 -1022.48 0.99603 11'18
  562  299 0.0637( 0.09 0.06 0.04) -1110.87   68.25  8.94 -1022.49 0.99600 11'18
  563  299 0.0648( 0.10 0.06 0.04) -1110.91   68.26  8.95 -1022.51 0.99596 11'18
  564  299 0.0646( 0.10 0.06 0.04) -1110.94   68.26  8.96 -1022.52 0.99593 11'18
  565  298 0.0628( 0.09 0.06 0.03) -1110.96   68.27  8.97 -1022.54 0.99590 11'18
      Msd:   0.541(O)   0.665(H)   0.000( )   0.000( )   0.000( )   101.3(   10664)
  566  298 0.0597( 0.09 0.06 0.03) -1110.97   68.27  8.98 -1022.55 0.99586 11'18
  567  298 0.0545( 0.08 0.06 0.03) -1110.96   68.25  8.98 -1022.56 0.99583 11'18
  568  298 0.0472( 0.07 0.05 0.02) -1110.95   68.20  8.99 -1022.57 0.99579 11'18
  569  299 0.0376( 0.07 0.03 0.02) -1110.92   68.14  9.00 -1022.59 0.99576 11'19
  570  299 0.0268( 0.06 0.01 0.01) -1110.88   68.06  9.00 -1022.61 0.99573 11'19
      Msd:   0.545(O)   0.671(H)   0.000( )   0.000( )   0.000( )   101.4(   10559)
  571  299 0.0157( 0.05-0.02 0.01) -1110.85   67.99  9.01 -1022.64 0.99572 11'19
  572  299 0.0054( 0.05-0.04 0.01) -1110.82   67.93  9.01 -1022.67 0.99571 11'19
  573  299-0.0037( 0.04-0.06 0.01) -1110.79   67.87  9.02 -1022.69 0.99572 11'19
  574  299-0.0113( 0.03-0.07 0.01) -1110.77   67.82  9.03 -1022.72 0.99573 11'19
  575  299-0.0176( 0.02-0.08 0.00) -1110.76   67.77  9.04 -1022.74 0.99575 11'19
      Msd:   0.550(O)   0.679(H)   0.000( )   0.000( )   0.000( )   101.5(   10529)
  576  299-0.0218( 0.01-0.08 0.00) -1110.75   67.73  9.05 -1022.77 0.99579 11'19
  577  299-0.0232( 0.00-0.07-0.00) -1110.76   67.70  9.06 -1022.79 0.99582 11'19
  578  299-0.0224(-0.00-0.05-0.01) -1110.78   67.69  9.08 -1022.82 0.99586 11'19
  579  298-0.0193(-0.01-0.04-0.01) -1110.82   67.71  9.09 -1022.84 0.99588 11'19
  580  297-0.0138(-0.01-0.02-0.01) -1110.86   67.75  9.11 -1022.85 0.99590 11'19
      Msd:   0.554(O)   0.685(H)   0.000( )   0.000( )   0.000( )   101.4(   10588)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  581  297-0.0066(-0.00-0.00-0.01) -1110.91   67.81  9.13 -1022.84 0.99591 11'19
  582  297 0.0007(-0.00 0.01-0.01) -1110.96   67.87  9.15 -1022.83 0.99591 11'19
  583  297 0.0079(-0.00 0.02 0.00) -1111.01   67.91  9.17 -1022.81 0.99590 11'19
  584  297 0.0138(-0.00 0.03 0.01) -1111.04   67.94  9.19 -1022.79 0.99588 11'19
  585  297 0.0182(-0.00 0.03 0.02) -1111.08   67.95  9.21 -1022.77 0.99586 11'19
      Msd:   0.559(O)   0.689(H)   0.000( )   0.000( )   0.000( )   101.4(   10544)
  586  298 0.0215(-0.00 0.03 0.03) -1111.10   67.96  9.22 -1022.77 0.99583 11'19
  587  298 0.0243(-0.00 0.03 0.04) -1111.13   67.97  9.23 -1022.77 0.99581 11'19
  588  298 0.0274(-0.00 0.03 0.05) -1111.15   67.99  9.24 -1022.77 0.99578 11'19
  589  297 0.0305( 0.00 0.03 0.06) -1111.17   68.01  9.25 -1022.77 0.99574 11'19
  590  297 0.0330( 0.01 0.03 0.06) -1111.19   68.04  9.25 -1022.76 0.99571 11'19
      Msd:   0.564(O)   0.694(H)   0.000( )   0.000( )   0.000( )   101.4(   10598)
  591  297 0.0350( 0.01 0.02 0.07) -1111.20   68.07  9.24 -1022.75 0.99568 11'19
  592  297 0.0360( 0.02 0.01 0.07) -1111.19   68.07  9.24 -1022.74 0.99564 11'19
  593  298 0.0356( 0.03 0.00 0.08) -1111.18   68.06  9.23 -1022.73 0.99561 11'19
  594  298 0.0336( 0.03-0.01 0.08) -1111.15   68.04  9.21 -1022.73 0.99559 11'19
  595  298 0.0305( 0.03-0.02 0.08) -1111.12   68.02  9.20 -1022.74 0.99557 11'19
      Msd:   0.568(O)   0.701(H)   0.000( )   0.000( )   0.000( )   101.3(   10620)
  596  298 0.0269( 0.03-0.03 0.08) -1111.09   67.99  9.18 -1022.75 0.99555 11'19
  597  298 0.0224( 0.02-0.03 0.08) -1111.05   67.96  9.16 -1022.76 0.99553 11'19
  598  298 0.0171( 0.01-0.03 0.07) -1111.01   67.92  9.14 -1022.76 0.99552 11'19
  599  299 0.0108(-0.01-0.02 0.06) -1110.96   67.87  9.13 -1022.78 0.99551 11'19
  600  299 0.0042(-0.04-0.01 0.06) -1110.91   67.81  9.11 -1022.79 0.99551 11'19
      Msd:   0.573(O)   0.708(H)   0.000( )   0.000( )   0.000( )   101.3(   10584)
--------------------------------------------------------------------------------
 Avr   298 0.0452( 0.04 0.03 0.06) -1110.95   68.03  9.10 -1022.66 0.99642
 Std     0 0.0440( 0.10 0.05 0.06)     0.27    0.26  0.10     0.10 0.00068
--------------------------------------------------------------------------------
 Temperatures: O : 299 H : 297
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  Original BMH-exp  model                                       ====>>>
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  601  299-0.0018(-0.06 0.01 0.05) -1110.87   67.75  9.10 -1022.82 0.99551 11'19
  602  299-0.0064(-0.09 0.03 0.04) -1110.83   67.70  9.09 -1022.84 0.99551 11'19
  603  298-0.0088(-0.10 0.05 0.03) -1110.81   67.69  9.08 -1022.86 0.99552 11'19
  604  298-0.0088(-0.11 0.07 0.02) -1110.80   67.69  9.07 -1022.88 0.99553 11'19
  605  297-0.0067(-0.12 0.09 0.01) -1110.80   67.73  9.07 -1022.87 0.99553 11'19
      Msd:   0.578(O)   0.712(H)   0.000( )   0.000( )   0.000( )   101.4(   10517)
  606  296-0.0030(-0.12 0.10 0.01) -1110.80   67.77  9.07 -1022.86 0.99553 11'19
  607  296 0.0012(-0.11 0.11 0.00) -1110.81   67.81  9.07 -1022.83 0.99553 11'19
  608  296 0.0049(-0.11 0.12 0.00) -1110.82   67.84  9.08 -1022.80 0.99553 11'19
  609  297 0.0076(-0.10 0.12 0.00) -1110.82   67.85  9.08 -1022.77 0.99552 11'19
  610  297 0.0093(-0.08 0.11 0.00) -1110.82   67.85  9.09 -1022.75 0.99551 11'19
      Msd:   0.583(O)   0.714(H)   0.000( )   0.000( )   0.000( )   101.5(   10470)
  611  297 0.0106(-0.07 0.10 0.00) -1110.82   67.85  9.09 -1022.74 0.99550 11'19
  612  297 0.0121(-0.05 0.08 0.01) -1110.83   67.86  9.10 -1022.73 0.99548 11'19
  613  297 0.0141(-0.04 0.07 0.01) -1110.84   67.88  9.10 -1022.72 0.99547 11'19
  614  297 0.0165(-0.02 0.05 0.01) -1110.85   67.90  9.10 -1022.71 0.99544 11'19
  615  297 0.0191( 0.01 0.03 0.02) -1110.87   67.93  9.10 -1022.70 0.99542 11'19
      Msd:   0.588(O)   0.717(H)   0.000( )   0.000( )   0.000( )   101.6(   10477)
  616  297 0.0211( 0.03 0.01 0.02) -1110.89   67.96  9.10 -1022.69 0.99539 11'19
  617  297 0.0228( 0.05-0.01 0.03) -1110.90   67.98  9.09 -1022.68 0.99537 11'19
  618  298 0.0241( 0.07-0.04 0.04) -1110.92   68.00  9.08 -1022.68 0.99535 11'19
  619  298 0.0242( 0.08-0.06 0.05) -1110.93   68.02  9.07 -1022.68 0.99533 11'19
  620  298 0.0235( 0.08-0.08 0.06) -1110.94   68.04  9.06 -1022.68 0.99531 11'19
      Msd:   0.592(O)   0.723(H)   0.000( )   0.000( )   0.000( )   101.6(   10436)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  621  298 0.0217( 0.08-0.09 0.08) -1110.94   68.05  9.05 -1022.68 0.99530 11'19
  622  298 0.0180( 0.07-0.10 0.08) -1110.92   68.04  9.04 -1022.68 0.99529 11'19
  623  298 0.0126( 0.04-0.09 0.09) -1110.90   68.01  9.03 -1022.68 0.99528 11'19
  624  299 0.0051( 0.01-0.08 0.09) -1110.86   67.96  9.02 -1022.70 0.99528 11'19
  625  299-0.0035(-0.03-0.06 0.08) -1110.81   67.89  9.01 -1022.71 0.99528 11'19
      Msd:   0.597(O)   0.730(H)   0.000( )   0.000( )   0.000( )   101.6(   10492)
  626  299-0.0124(-0.08-0.03 0.07) -1110.77   67.82  9.00 -1022.74 0.99529 11'19
  627  299-0.0201(-0.12-0.00 0.06) -1110.73   67.76  9.00 -1022.77 0.99531 11'19
  628  298-0.0255(-0.15 0.03 0.05) -1110.70   67.74  8.99 -1022.79 0.99533 11'19
  629  297-0.0284(-0.18 0.06 0.03) -1110.68   67.74  8.99 -1022.80 0.99535 11'20
  630  297-0.0295(-0.19 0.09 0.02) -1110.67   67.76  9.00 -1022.79 0.99537 11'20
      Msd:   0.601(O)   0.734(H)   0.000( )   0.000( )   0.000( )   101.6(   10393)
  631  296-0.0291(-0.20 0.11 0.00) -1110.67   67.78  9.00 -1022.77 0.99539 11'20
  632  296-0.0284(-0.20 0.13-0.01) -1110.67   67.80  9.01 -1022.75 0.99541 11'20
  633  297-0.0280(-0.20 0.13-0.02) -1110.68   67.81  9.01 -1022.73 0.99543 11'20
  634  297-0.0275(-0.18 0.13-0.03) -1110.69   67.82  9.02 -1022.72 0.99544 11'20
  635  297-0.0265(-0.16 0.12-0.04) -1110.70   67.82  9.03 -1022.71 0.99546 11'20
      Msd:   0.606(O)   0.737(H)   0.000( )   0.000( )   0.000( )   101.7(   10369)
  636  298-0.0249(-0.14 0.11-0.05) -1110.72   67.83  9.04 -1022.70 0.99548 11'20
  637  297-0.0222(-0.10 0.09-0.05) -1110.75   67.86  9.04 -1022.70 0.99550 11'20
  638  297-0.0183(-0.07 0.07-0.06) -1110.79   67.89  9.05 -1022.70 0.99551 11'20
  639  297-0.0130(-0.03 0.05-0.06) -1110.82   67.94  9.05 -1022.69 0.99552 11'20
  640  297-0.0074( 0.00 0.04-0.06) -1110.86   67.99  9.05 -1022.68 0.99553 11'20
      Msd:   0.611(O)   0.742(H)   0.000( )   0.000( )   0.000( )   101.7(   10382)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  641  297-0.0017( 0.03 0.02-0.06) -1110.89   68.03  9.05 -1022.67 0.99553 11'20
  642  297 0.0032( 0.06 0.00-0.05) -1110.92   68.07  9.05 -1022.66 0.99552 11'20
  643  297 0.0068( 0.07-0.02-0.03) -1110.94   68.10  9.04 -1022.66 0.99552 11'20
  644  297 0.0091( 0.07-0.03-0.01) -1110.95   68.12  9.03 -1022.65 0.99551 11'20
  645  297 0.0099( 0.07-0.04 0.01) -1110.94   68.13  9.02 -1022.64 0.99550 11'20
      Msd:   0.615(O)   0.750(H)   0.000( )   0.000( )   0.000( )   101.7(   10355)
  646  297 0.0088( 0.05-0.05 0.03) -1110.92   68.13  9.01 -1022.64 0.99550 11'20
  647  298 0.0055( 0.03-0.05 0.04) -1110.89   68.11  9.00 -1022.63 0.99549 11'20
  648  298 0.0002( 0.00-0.05 0.05) -1110.84   68.05  8.99 -1022.63 0.99549 11'20
  649  298-0.0073(-0.03-0.05 0.06) -1110.78   67.98  8.98 -1022.64 0.99550 11'20
  650  299-0.0158(-0.05-0.05 0.06) -1110.72   67.90  8.96 -1022.66 0.99551 11'20
      Msd:   0.620(O)   0.757(H)   0.000( )   0.000( )   0.000( )   101.7(   10400)
  651  299-0.0240(-0.08-0.05 0.06) -1110.65   67.82  8.95 -1022.68 0.99552 11'20
  652  298-0.0308(-0.09-0.05 0.05) -1110.59   67.77  8.94 -1022.70 0.99554 11'20
  653  298-0.0352(-0.10-0.04 0.04) -1110.53   67.74  8.93 -1022.71 0.99557 11'20
  654  297-0.0375(-0.09-0.04 0.02) -1110.49   67.73  8.92 -1022.71 0.99560 11'20
  655  297-0.0374(-0.09-0.03 0.01) -1110.46   67.73  8.91 -1022.69 0.99564 11'20
      Msd:   0.624(O)   0.761(H)   0.000( )   0.000( )   0.000( )   101.5(   10526)
  656  296-0.0362(-0.07-0.03-0.01) -1110.43   67.74  8.91 -1022.67 0.99567 11'20
  657  296-0.0335(-0.05-0.03-0.02) -1110.41   67.76  8.90 -1022.65 0.99571 11'20
  658  296-0.0299(-0.03-0.02-0.03) -1110.40   67.77  8.89 -1022.62 0.99574 11'20
  659  297-0.0259(-0.01-0.03-0.04) -1110.39   67.79  8.89 -1022.60 0.99577 11'20
  660  297-0.0211( 0.01-0.03-0.04) -1110.39   67.80  8.89 -1022.58 0.99579 11'20
      Msd:   0.629(O)   0.763(H)   0.000( )   0.000( )   0.000( )   101.6(   10515)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  661  297-0.0157( 0.02-0.03-0.04) -1110.40   67.82  8.89 -1022.56 0.99580 11'20
  662  297-0.0094( 0.04-0.03-0.04) -1110.41   67.86  8.89 -1022.55 0.99581 11'20
  663  296-0.0014( 0.06-0.03-0.03) -1110.43   67.90  8.89 -1022.53 0.99581 11'20
  664  296 0.0071( 0.07-0.02-0.02) -1110.46   67.96  8.90 -1022.50 0.99581 11'20
  665  296 0.0156( 0.08-0.02-0.01) -1110.50   68.01  8.90 -1022.48 0.99579 11'20
      Msd:   0.634(O)   0.769(H)   0.000( )   0.000( )   0.000( )   101.5(   10595)
  666  296 0.0239( 0.08-0.02 0.01) -1110.54   68.07  8.91 -1022.45 0.99577 11'20
  667  297 0.0315( 0.09-0.02 0.03) -1110.58   68.11  8.92 -1022.43 0.99575 11'20
  668  297 0.0384( 0.09-0.03 0.06) -1110.62   68.16  8.93 -1022.41 0.99572 11'20
  669  297 0.0444( 0.08-0.03 0.08) -1110.66   68.20  8.93 -1022.40 0.99569 11'20
  670  297 0.0495( 0.08-0.04 0.11) -1110.69   68.24  8.94 -1022.38 0.99566 11'20
      Msd:   0.638(O)   0.777(H)   0.000( )   0.000( )   0.000( )   101.4(   10646)
  671  297 0.0531( 0.07-0.04 0.12) -1110.71   68.27  8.96 -1022.36 0.99563 11'20
  672  297 0.0546( 0.07-0.04 0.14) -1110.72   68.29  8.97 -1022.35 0.99560 11'20
  673  297 0.0536( 0.06-0.04 0.14) -1110.72   68.29  8.98 -1022.33 0.99557 11'20
  674  297 0.0497( 0.06-0.03 0.12) -1110.70   68.26  8.99 -1022.31 0.99554 11'20
  675  297 0.0432( 0.05-0.02 0.10) -1110.66   68.21  9.00 -1022.30 0.99550 11'20
      Msd:   0.642(O)   0.785(H)   0.000( )   0.000( )   0.000( )   101.3(   10684)
  676  298 0.0343( 0.05-0.01 0.07) -1110.60   68.13  9.01 -1022.30 0.99547 11'20
  677  298 0.0236( 0.04-0.00 0.03) -1110.54   68.04  9.03 -1022.30 0.99545 11'20
  678  298 0.0128( 0.03 0.01-0.01) -1110.48   67.96  9.04 -1022.31 0.99543 11'20
  679  298 0.0032( 0.03 0.03-0.04) -1110.43   67.89  9.06 -1022.32 0.99543 11'20
  680  298-0.0052( 0.02 0.04-0.08) -1110.39   67.82  9.08 -1022.33 0.99543 11'20
      Msd:   0.647(O)   0.790(H)   0.000( )   0.000( )   0.000( )   101.3(   10681)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  681  298-0.0119( 0.02 0.05-0.10) -1110.37   67.78  9.10 -1022.33 0.99544 11'20
  682  298-0.0162( 0.01 0.06-0.12) -1110.36   67.74  9.12 -1022.33 0.99546 11'20
  683  298-0.0184( 0.01 0.06-0.13) -1110.37   67.72  9.14 -1022.34 0.99547 11'20
  684  298-0.0190( 0.01 0.06-0.13) -1110.40   67.71  9.16 -1022.35 0.99549 11'20
  685  298-0.0169( 0.02 0.06-0.13) -1110.44   67.71  9.18 -1022.36 0.99550 11'20
      Msd:   0.651(O)   0.794(H)   0.000( )   0.000( )   0.000( )   101.4(   10620)
  686  299-0.0126( 0.02 0.06-0.12) -1110.49   67.73  9.19 -1022.38 0.99551 11'20
  687  299-0.0057( 0.04 0.06-0.11) -1110.56   67.78  9.21 -1022.40 0.99551 11'20
  688  298 0.0032( 0.05 0.05-0.09) -1110.65   67.84  9.21 -1022.41 0.99551 11'20
  689  298 0.0130( 0.06 0.05-0.08) -1110.73   67.92  9.21 -1022.42 0.99550 11'20
  690  298 0.0230( 0.08 0.05-0.06) -1110.82   68.00  9.21 -1022.43 0.99548 11'20
      Msd:   0.656(O)   0.799(H)   0.000( )   0.000( )   0.000( )   101.4(   10593)
  691  298 0.0319( 0.09 0.04-0.04) -1110.89   68.07  9.21 -1022.44 0.99545 11'21
  692  298 0.0386( 0.10 0.03-0.02) -1110.95   68.12  9.19 -1022.45 0.99541 11'21
  693  299 0.0426( 0.11 0.02-0.00) -1111.00   68.15  9.18 -1022.47 0.99536 11'21
  694  299 0.0435( 0.11 0.01 0.01) -1111.02   68.15  9.16 -1022.49 0.99532 11'21
  695  299 0.0418( 0.11-0.00 0.02) -1111.02   68.14  9.15 -1022.52 0.99528 11'21
      Msd:   0.660(O)   0.807(H)   0.000( )   0.000( )   0.000( )   101.5(   10511)
  696  299 0.0384( 0.10-0.01 0.03) -1111.01   68.12  9.13 -1022.55 0.99524 11'21
  697  299 0.0330( 0.10-0.02 0.02) -1110.99   68.09  9.11 -1022.58 0.99521 11'21
  698  299 0.0264( 0.10-0.03 0.02) -1110.95   68.05  9.09 -1022.61 0.99519 11'21
  699  299 0.0187( 0.09-0.04 0.00) -1110.89   68.00  9.07 -1022.63 0.99517 11'21
  700  298 0.0103( 0.09-0.04-0.01) -1110.83   67.94  9.06 -1022.65 0.99516 11'21
      Msd:   0.664(O)   0.812(H)   0.000( )   0.000( )   0.000( )   101.5(   10460)
--------------------------------------------------------------------------------
 Avr   298 0.0037(-0.01 0.01 0.01) -1110.72   67.93  9.04 -1022.60 0.99549
 Std     0 0.0245( 0.09 0.06 0.06)     0.19    0.16  0.09     0.16 0.00015
--------------------------------------------------------------------------------
 Temperatures: O : 291 H : 301
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  Original BMH-exp  model                                       ====>>>
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  701  298 0.0018( 0.08-0.05-0.03) -1110.76   67.88  9.04 -1022.66 0.99515 11'21
  702  298-0.0063( 0.07-0.05-0.04) -1110.69   67.82  9.03 -1022.67 0.99516 11'21
  703  298-0.0135( 0.06-0.06-0.05) -1110.62   67.77  9.02 -1022.68 0.99517 11'21
  704  297-0.0193( 0.05-0.06-0.05) -1110.56   67.73  9.01 -1022.68 0.99519 11'21
  705  297-0.0242( 0.04-0.06-0.05) -1110.50   67.71  9.00 -1022.67 0.99521 11'21
      Msd:   0.668(O)   0.815(H)   0.000( )   0.000( )   0.000( )   101.6(   10358)
  706  297-0.0268( 0.03-0.07-0.05) -1110.46   67.69  8.99 -1022.66 0.99523 11'21
  707  297-0.0279( 0.02-0.07-0.04) -1110.42   67.69  8.98 -1022.64 0.99526 11'21
  708  297-0.0277( 0.01-0.07-0.02) -1110.40   67.68  8.98 -1022.62 0.99529 11'21
  709  297-0.0265(-0.00-0.07-0.01) -1110.38   67.68  8.98 -1022.60 0.99532 11'21
  710  297-0.0245(-0.01-0.06 0.00) -1110.38   67.68  8.97 -1022.59 0.99534 11'21
      Msd:   0.673(O)   0.816(H)   0.000( )   0.000( )   0.000( )   101.6(   10347)
  711  297-0.0205(-0.02-0.06 0.01) -1110.38   67.69  8.97 -1022.58 0.99536 11'21
  712  298-0.0150(-0.02-0.05 0.02) -1110.41   67.71  8.97 -1022.57 0.99538 11'21
  713  297-0.0076(-0.01-0.03 0.02) -1110.44   67.76  8.97 -1022.57 0.99538 11'21
  714  297 0.0011(-0.00-0.02 0.03) -1110.49   67.83  8.96 -1022.57 0.99538 11'21
  715  297 0.0114( 0.01-0.00 0.03) -1110.56   67.91  8.96 -1022.56 0.99537 11'21
      Msd:   0.677(O)   0.820(H)   0.000( )   0.000( )   0.000( )   101.6(   10398)
  716  297 0.0218( 0.02 0.01 0.03) -1110.62   68.00  8.96 -1022.54 0.99535 11'21
  717  297 0.0315( 0.03 0.03 0.03) -1110.68   68.09  8.95 -1022.52 0.99533 11'21
  718  297 0.0392( 0.04 0.04 0.04) -1110.74   68.15  8.95 -1022.50 0.99531 11'21
  719  297 0.0440( 0.05 0.04 0.04) -1110.78   68.20  8.95 -1022.49 0.99528 11'21
  720  298 0.0461( 0.06 0.05 0.04) -1110.81   68.22  8.95 -1022.49 0.99526 11'21
      Msd:   0.681(O)   0.825(H)   0.000( )   0.000( )   0.000( )   101.6(   10408)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  721  298 0.0456( 0.06 0.05 0.03) -1110.82   68.22  8.95 -1022.49 0.99524 11'21
  722  298 0.0428( 0.06 0.05 0.02) -1110.82   68.21  8.95 -1022.49 0.99522 11'21
  723  298 0.0372( 0.05 0.05 0.01) -1110.79   68.19  8.96 -1022.49 0.99520 11'21
  724  298 0.0292( 0.04 0.05-0.00) -1110.76   68.14  8.97 -1022.49 0.99518 11'21
  725  298 0.0198( 0.03 0.05-0.02) -1110.71   68.07  8.98 -1022.49 0.99517 11'21
      Msd:   0.686(O)   0.829(H)   0.000( )   0.000( )   0.000( )   101.5(   10469)
  726  298 0.0091( 0.01 0.05-0.03) -1110.65   68.00  8.99 -1022.50 0.99517 11'21
  727  298-0.0018(-0.01 0.05-0.04) -1110.59   67.92  9.01 -1022.50 0.99517 11'21
  728  298-0.0115(-0.03 0.05-0.05) -1110.54   67.85  9.03 -1022.51 0.99517 11'21
  729  297-0.0191(-0.06 0.04-0.05) -1110.50   67.81  9.06 -1022.50 0.99518 11'21
  730  297-0.0246(-0.07 0.04-0.04) -1110.48   67.79  9.08 -1022.50 0.99519 11'21
      Msd:   0.690(O)   0.831(H)   0.000( )   0.000( )   0.000( )   101.5(   10417)
  731  296-0.0275(-0.09 0.04-0.04) -1110.47   67.79  9.10 -1022.48 0.99521 11'21
  732  296-0.0282(-0.10 0.04-0.03) -1110.48   67.81  9.13 -1022.45 0.99522 11'21
  733  296-0.0275(-0.10 0.04-0.02) -1110.49   67.83  9.15 -1022.42 0.99524 11'21
  734  297-0.0259(-0.09 0.04-0.02) -1110.51   67.84  9.16 -1022.39 0.99525 11'21
  735  297-0.0236(-0.08 0.03-0.02) -1110.54   67.84  9.18 -1022.37 0.99527 11'21
      Msd:   0.694(O)   0.833(H)   0.000( )   0.000( )   0.000( )   101.5(   10359)
  736  298-0.0201(-0.06 0.03-0.03) -1110.58   67.85  9.19 -1022.37 0.99528 11'21
  737  298-0.0153(-0.03 0.02-0.03) -1110.62   67.86  9.20 -1022.38 0.99529 11'21
  738  298-0.0088(-0.01 0.02-0.04) -1110.68   67.90  9.20 -1022.39 0.99530 11'21
  739  298-0.0001( 0.02 0.02-0.04) -1110.75   67.97  9.19 -1022.41 0.99530 11'21
  740  298 0.0102( 0.05 0.02-0.04) -1110.83   68.06  9.18 -1022.42 0.99529 11'21
      Msd:   0.698(O)   0.838(H)   0.000( )   0.000( )   0.000( )   101.5(   10395)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  741  298 0.0206( 0.08 0.02-0.04) -1110.90   68.16  9.17 -1022.42 0.99527 11'21
  742  298 0.0297( 0.10 0.01-0.02) -1110.97   68.24  9.15 -1022.42 0.99525 11'21
  743  298 0.0360( 0.11 0.01-0.01) -1111.01   68.29  9.13 -1022.42 0.99522 11'21
  744  299 0.0385( 0.11 0.00 0.00) -1111.04   68.31  9.11 -1022.43 0.99519 11'21
  745  299 0.0371( 0.11-0.01 0.01) -1111.03   68.30  9.08 -1022.45 0.99516 11'21
      Msd:   0.702(O)   0.843(H)   0.000( )   0.000( )   0.000( )   101.4(   10393)
  746  299 0.0320( 0.10-0.02 0.02) -1111.01   68.25  9.06 -1022.48 0.99513 11'21
  747  299 0.0238( 0.09-0.03 0.02) -1110.96   68.19  9.04 -1022.51 0.99512 11'21
  748  299 0.0132( 0.07-0.04 0.01) -1110.89   68.11  9.02 -1022.54 0.99511 11'21
  749  299 0.0005( 0.05-0.04-0.00) -1110.81   68.02  9.00 -1022.57 0.99511 11'21
  750  299-0.0125( 0.03-0.05-0.01) -1110.73   67.92  8.99 -1022.60 0.99511 11'21
      Msd:   0.706(O)   0.847(H)   0.000( )   0.000( )   0.000( )   101.4(   10390)
  751  299-0.0257( 0.00-0.05-0.03) -1110.63   67.82  8.98 -1022.63 0.99513 11'22
  752  298-0.0371(-0.02-0.04-0.05) -1110.55   67.74  8.97 -1022.65 0.99516 11'22
  753  298-0.0462(-0.04-0.04-0.06) -1110.48   67.68  8.96 -1022.67 0.99519 11'22
  754  297-0.0521(-0.06-0.02-0.08) -1110.42   67.65  8.96 -1022.67 0.99522 11'22
  755  297-0.0546(-0.07-0.01-0.08) -1110.38   67.65  8.96 -1022.66 0.99525 11'22
      Msd:   0.710(O)   0.850(H)   0.000( )   0.000( )   0.000( )   101.5(   10294)
  756  296-0.0546(-0.08 0.00-0.09) -1110.36   67.66  8.96 -1022.64 0.99528 11'22
  757  296-0.0528(-0.08 0.02-0.10) -1110.35   67.69  8.96 -1022.61 0.99530 11'22
  758  296-0.0499(-0.07 0.02-0.10) -1110.35   67.71  8.96 -1022.58 0.99533 11'22
  759  297-0.0455(-0.06 0.03-0.10) -1110.36   67.72  8.97 -1022.55 0.99534 11'22
  760  297-0.0403(-0.05 0.03-0.11) -1110.37   67.73  8.97 -1022.53 0.99536 11'22
      Msd:   0.714(O)   0.853(H)   0.000( )   0.000( )   0.000( )   101.5(   10298)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  761  298-0.0341(-0.03 0.03-0.11) -1110.40   67.74  8.97 -1022.53 0.99537 11'22
  762  298-0.0266(-0.00 0.03-0.10) -1110.45   67.76  8.97 -1022.53 0.99539 11'22
  763  298-0.0166( 0.02 0.02-0.10) -1110.51   67.81  8.97 -1022.55 0.99539 11'22
  764  298-0.0046( 0.05 0.01-0.08) -1110.59   67.88  8.97 -1022.56 0.99540 11'22
  765  298 0.0089( 0.08 0.00-0.06) -1110.68   67.97  8.96 -1022.57 0.99539 11'22
      Msd:   0.718(O)   0.859(H)   0.000( )   0.000( )   0.000( )   101.5(   10276)
  766  298 0.0224( 0.11-0.01-0.03) -1110.77   68.06  8.96 -1022.58 0.99538 11'22
  767  298 0.0343( 0.13-0.02-0.00) -1110.86   68.15  8.95 -1022.59 0.99536 11'22
  768  299 0.0439( 0.14-0.04 0.03) -1110.94   68.22  8.94 -1022.60 0.99535 11'22
  769  299 0.0497( 0.15-0.05 0.06) -1111.00   68.26  8.93 -1022.62 0.99533 11'22
  770  299 0.0520( 0.15-0.07 0.08) -1111.04   68.27  8.92 -1022.64 0.99531 11'22
      Msd:   0.721(O)   0.865(H)   0.000( )   0.000( )   0.000( )   101.6(   10282)
  771  299 0.0502( 0.14-0.08 0.09) -1111.06   68.26  8.91 -1022.67 0.99529 11'22
  772  299 0.0446( 0.13-0.09 0.10) -1111.05   68.22  8.91 -1022.70 0.99528 11'22
  773  299 0.0354( 0.11-0.09 0.09) -1111.02   68.16  8.91 -1022.74 0.99527 11'22
  774  299 0.0234( 0.08-0.09 0.08) -1110.97   68.08  8.91 -1022.77 0.99526 11'22
  775  299 0.0097( 0.05-0.08 0.05) -1110.90   67.98  8.92 -1022.80 0.99525 11'22
      Msd:   0.725(O)   0.871(H)   0.000( )   0.000( )   0.000( )   101.5(   10378)
  776  299-0.0045( 0.02-0.06 0.03) -1110.83   67.89  8.93 -1022.83 0.99526 11'22
  777  298-0.0182(-0.01-0.04-0.00) -1110.76   67.80  8.94 -1022.84 0.99527 11'22
  778  297-0.0298(-0.04-0.02-0.03) -1110.69   67.74  8.96 -1022.85 0.99528 11'22
  779  297-0.0391(-0.06 0.00-0.06) -1110.63   67.69  8.98 -1022.84 0.99529 11'22
  780  296-0.0456(-0.08 0.02-0.08) -1110.59   67.66  9.00 -1022.83 0.99531 11'22
      Msd:   0.728(O)   0.875(H)   0.000( )   0.000( )   0.000( )   101.5(   10334)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  781  296-0.0495(-0.09 0.03-0.09) -1110.56   67.64  9.02 -1022.80 0.99533 11'22
  782  296-0.0510(-0.09 0.04-0.11) -1110.54   67.64  9.05 -1022.77 0.99534 11'22
  783  296-0.0499(-0.08 0.05-0.12) -1110.54   67.64  9.07 -1022.73 0.99536 11'22
  784  296-0.0467(-0.06 0.04-0.12) -1110.55   67.65  9.10 -1022.70 0.99537 11'22
  785  297-0.0404(-0.04 0.04-0.12) -1110.58   67.66  9.13 -1022.68 0.99538 11'22
      Msd:   0.731(O)   0.880(H)   0.000( )   0.000( )   0.000( )   101.6(   10411)
  786  297-0.0318(-0.01 0.03-0.11) -1110.63   67.69  9.15 -1022.66 0.99540 11'22
  787  297-0.0207( 0.02 0.01-0.10) -1110.70   67.74  9.17 -1022.65 0.99541 11'22
  788  297-0.0065( 0.06 0.00-0.08) -1110.79   67.82  9.18 -1022.64 0.99541 11'22
  789  297 0.0097( 0.09-0.01-0.05) -1110.90   67.93  9.19 -1022.64 0.99541 11'22
  790  297 0.0275( 0.12-0.02-0.02) -1111.01   68.06  9.20 -1022.63 0.99539 11'22
      Msd:   0.735(O)   0.886(H)   0.000( )   0.000( )   0.000( )   101.5(   10504)
  791  297 0.0448( 0.14-0.02 0.01) -1111.12   68.19  9.20 -1022.61 0.99538 11'22
  792  297 0.0601( 0.16-0.03 0.05) -1111.23   68.30  9.19 -1022.60 0.99536 11'22
  793  297 0.0722( 0.17-0.03 0.08) -1111.31   68.40  9.17 -1022.59 0.99534 11'22
  794  298 0.0799( 0.18-0.03 0.10) -1111.37   68.46  9.16 -1022.59 0.99531 11'22
  795  298 0.0830( 0.17-0.04 0.11) -1111.40   68.49  9.13 -1022.59 0.99529 11'22
      Msd:   0.738(O)   0.894(H)   0.000( )   0.000( )   0.000( )   101.6(   10439)
  796  299 0.0803( 0.16-0.04 0.12) -1111.39   68.47  9.11 -1022.61 0.99526 11'22
  797  299 0.0730( 0.14-0.03 0.11) -1111.34   68.42  9.08 -1022.63 0.99524 11'22
  798  299 0.0611( 0.12-0.03 0.09) -1111.27   68.34  9.05 -1022.66 0.99521 11'22
  799  299 0.0461( 0.09-0.02 0.07) -1111.17   68.24  9.03 -1022.69 0.99519 11'22
  800  299 0.0290( 0.06-0.01 0.04) -1111.05   68.13  9.01 -1022.71 0.99517 11'22
      Msd:   0.741(O)   0.899(H)   0.000( )   0.000( )   0.000( )   101.6(   10396)
--------------------------------------------------------------------------------
 Avr   298 0.0020( 0.03-0.01-0.02) -1110.73   67.95  9.03 -1022.59 0.99527
 Std     0 0.0363( 0.08 0.04 0.06)     0.27    0.24  0.09     0.11 0.00008
--------------------------------------------------------------------------------
 Temperatures: O : 294 H : 300
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  Original BMH-exp  model                                       ====>>>
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  801  298 0.0115( 0.03-0.00 0.01) -1110.92   68.01  8.99 -1022.74 0.99517 11'22
  802  298-0.0048( 0.00 0.01-0.03) -1110.80   67.91  8.97 -1022.75 0.99517 11'22
  803  298-0.0188(-0.02 0.02-0.05) -1110.68   67.81  8.97 -1022.75 0.99518 11'22
  804  297-0.0304(-0.04 0.02-0.07) -1110.58   67.74  8.96 -1022.75 0.99519 11'22
  805  297-0.0387(-0.06 0.03-0.09) -1110.50   67.68  8.96 -1022.74 0.99521 11'22
      Msd:   0.744(O)   0.901(H)   0.000( )   0.000( )   0.000( )   101.6(   10384)
  806  297-0.0437(-0.06 0.03-0.09) -1110.45   67.64  8.97 -1022.72 0.99523 11'22
  807  296-0.0450(-0.06 0.02-0.09) -1110.41   67.63  8.98 -1022.70 0.99524 11'22
  808  297-0.0428(-0.06 0.01-0.08) -1110.41   67.63  8.98 -1022.68 0.99526 11'22
  809  297-0.0367(-0.04 0.01-0.07) -1110.43   67.66  8.99 -1022.66 0.99528 11'22
  810  297-0.0278(-0.03-0.00-0.05) -1110.47   67.70  9.00 -1022.64 0.99530 11'22
      Msd:   0.747(O)   0.903(H)   0.000( )   0.000( )   0.000( )   101.7(   10301)
  811  297-0.0158(-0.01-0.01-0.03) -1110.54   67.76  9.01 -1022.63 0.99531 11'22
  812  297-0.0016( 0.02-0.01-0.01) -1110.62   67.84  9.01 -1022.62 0.99531 11'23
  813  297 0.0142( 0.04-0.01 0.01) -1110.72   67.94  9.02 -1022.62 0.99530 11'23
  814  297 0.0305( 0.07-0.01 0.03) -1110.83   68.06  9.01 -1022.62 0.99529 11'23
  815  297 0.0469( 0.09-0.00 0.05) -1110.94   68.18  9.00 -1022.61 0.99527 11'23
      Msd:   0.751(O)   0.906(H)   0.000( )   0.000( )   0.000( )   101.7(   10325)
  816  297 0.0619( 0.11 0.00 0.07) -1111.04   68.30  8.99 -1022.61 0.99524 11'23
  817  298 0.0742( 0.13 0.01 0.08) -1111.13   68.40  8.98 -1022.61 0.99522 11'23
  818  298 0.0832( 0.14 0.02 0.09) -1111.20   68.48  8.96 -1022.60 0.99520 11'23
  819  298 0.0878( 0.14 0.03 0.10) -1111.23   68.53  8.94 -1022.60 0.99517 11'23
  820  298 0.0877( 0.13 0.03 0.10) -1111.24   68.53  8.93 -1022.61 0.99514 11'23
      Msd:   0.754(O)   0.911(H)   0.000( )   0.000( )   0.000( )   101.6(   10386)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  821  298 0.0819( 0.11 0.04 0.09) -1111.20   68.50  8.91 -1022.62 0.99511 11'23
  822  298 0.0715( 0.09 0.05 0.08) -1111.14   68.43  8.90 -1022.63 0.99509 11'23
  823  298 0.0576( 0.06 0.06 0.06) -1111.04   68.34  8.89 -1022.64 0.99507 11'23
  824  298 0.0411( 0.02 0.07 0.03) -1110.93   68.22  8.89 -1022.65 0.99505 11'23
  825  298 0.0232(-0.02 0.08 0.01) -1110.80   68.10  8.89 -1022.65 0.99505 11'23
      Msd:   0.757(O)   0.914(H)   0.000( )   0.000( )   0.000( )   101.5(   10383)
  826  297 0.0053(-0.06 0.09-0.01) -1110.67   67.98  8.90 -1022.65 0.99504 11'23
  827  297-0.0112(-0.10 0.09-0.03) -1110.55   67.86  8.91 -1022.64 0.99505 11'23
  828  297-0.0258(-0.13 0.10-0.05) -1110.44   67.76  8.93 -1022.63 0.99505 11'23
  829  297-0.0374(-0.16 0.10-0.05) -1110.35   67.67  8.95 -1022.62 0.99507 11'23
  830  297-0.0455(-0.18 0.09-0.05) -1110.30   67.61  8.97 -1022.60 0.99508 11'23
      Msd:   0.760(O)   0.916(H)   0.000( )   0.000( )   0.000( )   101.3(   10501)
  831  297-0.0491(-0.18 0.08-0.05) -1110.27   67.58  8.99 -1022.58 0.99509 11'23
  832  297-0.0485(-0.18 0.07-0.03) -1110.27   67.59  9.02 -1022.55 0.99511 11'23
  833  297-0.0437(-0.18 0.06-0.02) -1110.31   67.62  9.04 -1022.53 0.99513 11'23
  834  297-0.0345(-0.16 0.05 0.00) -1110.38   67.68  9.06 -1022.52 0.99515 11'23
  835  297-0.0220(-0.14 0.04 0.03) -1110.47   67.77  9.07 -1022.50 0.99516 11'23
      Msd:   0.763(O)   0.917(H)   0.000( )   0.000( )   0.000( )   101.4(   10456)
  836  297-0.0065(-0.11 0.04 0.05) -1110.59   67.88  9.09 -1022.49 0.99516 11'23
  837  297 0.0106(-0.08 0.04 0.07) -1110.72   68.01  9.10 -1022.48 0.99515 11'23
  838  297 0.0283(-0.04 0.04 0.08) -1110.86   68.16  9.10 -1022.47 0.99514 11'23
  839  297 0.0451(-0.01 0.05 0.09) -1110.99   68.29  9.10 -1022.46 0.99512 11'23
  840  297 0.0596( 0.03 0.05 0.10) -1111.11   68.41  9.10 -1022.45 0.99510 11'23
      Msd:   0.766(O)   0.920(H)   0.000( )   0.000( )   0.000( )   101.4(   10463)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  841  298 0.0699( 0.06 0.06 0.09) -1111.20   68.50  9.10 -1022.44 0.99507 11'23
  842  298 0.0761( 0.08 0.06 0.09) -1111.26   68.55  9.10 -1022.44 0.99504 11'23
  843  298 0.0767( 0.10 0.06 0.07) -1111.29   68.57  9.09 -1022.45 0.99501 11'23
  844  299 0.0723( 0.10 0.06 0.06) -1111.28   68.54  9.08 -1022.46 0.99498 11'23
  845  299 0.0630( 0.10 0.05 0.04) -1111.23   68.47  9.07 -1022.48 0.99495 11'23
      Msd:   0.769(O)   0.923(H)   0.000( )   0.000( )   0.000( )   101.5(   10431)
  846  299 0.0496( 0.09 0.04 0.02) -1111.16   68.36  9.07 -1022.51 0.99493 11'23
  847  299 0.0334( 0.08 0.03-0.01) -1111.06   68.24  9.06 -1022.54 0.99491 11'23
  848  299 0.0161( 0.06 0.02-0.03) -1110.95   68.12  9.05 -1022.57 0.99490 11'23
  849  299-0.0011( 0.03 0.01-0.05) -1110.84   68.00  9.05 -1022.60 0.99490 11'23
  850  298-0.0167( 0.01-0.00-0.06) -1110.73   67.90  9.04 -1022.61 0.99491 11'23
      Msd:   0.772(O)   0.926(H)   0.000( )   0.000( )   0.000( )   101.6(   10376)
  851  298-0.0306(-0.01-0.01-0.07) -1110.64   67.81  9.04 -1022.62 0.99493 11'23
  852  298-0.0419(-0.03-0.02-0.08) -1110.56   67.74  9.03 -1022.63 0.99494 11'23
  853  298-0.0506(-0.05-0.03-0.07) -1110.50   67.68  9.03 -1022.63 0.99497 11'23
  854  298-0.0573(-0.06-0.04-0.07) -1110.46   67.64  9.03 -1022.63 0.99499 11'23
  855  298-0.0610(-0.08-0.05-0.05) -1110.44   67.61  9.02 -1022.64 0.99501 11'23
      Msd:   0.775(O)   0.927(H)   0.000( )   0.000( )   0.000( )   101.7(   10271)
  856  299-0.0618(-0.08-0.06-0.04) -1110.45   67.59  9.02 -1022.65 0.99503 11'23
  857  299-0.0592(-0.09-0.07-0.02) -1110.48   67.60  9.01 -1022.67 0.99506 11'23
  858  299-0.0530(-0.08-0.08 0.00) -1110.53   67.63  9.00 -1022.69 0.99507 11'23
  859  299-0.0436(-0.08-0.08 0.02) -1110.60   67.69  9.00 -1022.72 0.99509 11'23
  860  298-0.0312(-0.06-0.08 0.04) -1110.68   67.78  8.99 -1022.74 0.99510 11'23
      Msd:   0.778(O)   0.929(H)   0.000( )   0.000( )   0.000( )   101.7(   10290)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  861  298-0.0162(-0.04-0.07 0.06) -1110.78   67.89  8.98 -1022.75 0.99510 11'23
  862  298-0.0001(-0.02-0.06 0.07) -1110.89   68.02  8.97 -1022.75 0.99510 11'23
  863  297 0.0153( 0.01-0.05 0.08) -1110.98   68.13  8.96 -1022.75 0.99510 11'23
  864  297 0.0290( 0.03-0.03 0.09) -1111.06   68.23  8.95 -1022.74 0.99509 11'23
  865  298 0.0390( 0.05-0.02 0.09) -1111.12   68.29  8.94 -1022.74 0.99508 11'23
      Msd:   0.781(O)   0.933(H)   0.000( )   0.000( )   0.000( )   101.5(   10455)
  866  298 0.0441( 0.06-0.02 0.09) -1111.15   68.31  8.93 -1022.74 0.99506 11'23
  867  299 0.0452( 0.07-0.01 0.08) -1111.16   68.30  8.91 -1022.75 0.99505 11'23
  868  299 0.0415( 0.06-0.01 0.08) -1111.14   68.27  8.90 -1022.77 0.99503 11'23
  869  299 0.0347( 0.05-0.01 0.07) -1111.09   68.21  8.89 -1022.79 0.99501 11'23
  870  299 0.0244( 0.03-0.01 0.06) -1111.02   68.13  8.88 -1022.81 0.99500 11'23
      Msd:   0.783(O)   0.938(H)   0.000( )   0.000( )   0.000( )   101.6(   10387)
  871  299 0.0125( 0.00-0.00 0.04) -1110.94   68.05  8.87 -1022.83 0.99499 11'23
  872  298-0.0005(-0.03 0.00 0.02) -1110.85   67.95  8.86 -1022.85 0.99499 11'23
  873  298-0.0137(-0.06 0.01 0.00) -1110.76   67.86  8.86 -1022.86 0.99500 11'24
  874  298-0.0267(-0.08 0.02-0.02) -1110.67   67.78  8.86 -1022.87 0.99501 11'24
  875  298-0.0387(-0.11 0.03-0.04) -1110.59   67.70  8.86 -1022.88 0.99503 11'24
      Msd:   0.786(O)   0.942(H)   0.000( )   0.000( )   0.000( )   101.6(   10391)
  876  298-0.0496(-0.12 0.04-0.06) -1110.52   67.63  8.86 -1022.88 0.99505 11'24
  877  298-0.0592(-0.14 0.04-0.08) -1110.46   67.56  8.86 -1022.88 0.99507 11'24
  878  298-0.0667(-0.15 0.04-0.09) -1110.42   67.51  8.86 -1022.88 0.99509 11'24
  879  298-0.0724(-0.15 0.03-0.09) -1110.40   67.46  8.87 -1022.89 0.99511 11'24
  880  299-0.0758(-0.15 0.02-0.09) -1110.40   67.43  8.88 -1022.90 0.99513 11'24
      Msd:   0.789(O)   0.944(H)   0.000( )   0.000( )   0.000( )   101.6(   10354)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  881  299-0.0757(-0.15 0.01-0.09) -1110.42   67.43  8.88 -1022.92 0.99516 11'24
  882  298-0.0721(-0.14 0.00-0.08) -1110.47   67.46  8.89 -1022.94 0.99519 11'24
  883  298-0.0653(-0.13-0.00-0.07) -1110.55   67.52  8.90 -1022.95 0.99521 11'24
  884  298-0.0556(-0.11-0.00-0.05) -1110.63   67.61  8.91 -1022.96 0.99524 11'24
  885  297-0.0435(-0.09 0.00-0.04) -1110.73   67.71  8.93 -1022.95 0.99526 11'24
      Msd:   0.792(O)   0.946(H)   0.000( )   0.000( )   0.000( )   101.5(   10369)
  886  297-0.0311(-0.07 0.01-0.03) -1110.82   67.82  8.94 -1022.94 0.99528 11'24
  887  297-0.0193(-0.06 0.02-0.02) -1110.91   67.92  8.94 -1022.93 0.99529 11'24
  888  297-0.0099(-0.04 0.02-0.01) -1110.99   67.99  8.95 -1022.91 0.99529 11'24
  889  297-0.0031(-0.03 0.03-0.00) -1111.04   68.05  8.96 -1022.90 0.99529 11'24
  890  297 0.0008(-0.02 0.03 0.00) -1111.07   68.07  8.96 -1022.89 0.99529 11'24
      Msd:   0.795(O)   0.948(H)   0.000( )   0.000( )   0.000( )   101.4(   10471)
  891  298 0.0013(-0.02 0.02 0.00) -1111.08   68.08  8.96 -1022.89 0.99529 11'24
  892  298-0.0012(-0.02 0.02-0.00) -1111.06   68.07  8.96 -1022.89 0.99529 11'24
  893  297-0.0061(-0.02 0.01-0.01) -1111.03   68.04  8.96 -1022.88 0.99530 11'24
  894  297-0.0127(-0.03 0.01-0.02) -1110.97   68.00  8.95 -1022.88 0.99531 11'24
  895  297-0.0209(-0.04 0.01-0.03) -1110.90   67.95  8.95 -1022.87 0.99532 11'24
      Msd:   0.797(O)   0.951(H)   0.000( )   0.000( )   0.000( )   101.4(   10467)
  896  297-0.0309(-0.06 0.01-0.05) -1110.82   67.88  8.94 -1022.86 0.99533 11'24
  897  297-0.0416(-0.07 0.01-0.07) -1110.73   67.79  8.94 -1022.85 0.99535 11'24
  898  298-0.0517(-0.08 0.02-0.09) -1110.63   67.70  8.94 -1022.85 0.99537 11'24
  899  298-0.0615(-0.10 0.02-0.11) -1110.55   67.62  8.93 -1022.85 0.99539 11'24
  900  297-0.0688(-0.11 0.02-0.12) -1110.48   67.56  8.93 -1022.84 0.99541 11'24
      Msd:   0.800(O)   0.953(H)   0.000( )   0.000( )   0.000( )   101.5(   10396)
--------------------------------------------------------------------------------
 Avr   298-0.0056(-0.03 0.02-0.00) -1110.77   67.94  8.97 -1022.71 0.99513
 Std     0 0.0453( 0.08 0.04 0.06)     0.29    0.31  0.07     0.15 0.00012
--------------------------------------------------------------------------------
 Temperatures: O : 298 H : 297
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  Original BMH-exp  model                                       ====>>>
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  901  297-0.0734(-0.11 0.02-0.13) -1110.43   67.53  8.92 -1022.84 0.99543 11'24
  902  297-0.0743(-0.11 0.01-0.13) -1110.40   67.53  8.92 -1022.83 0.99546 11'24
  903  297-0.0725(-0.11 0.01-0.12) -1110.39   67.54  8.92 -1022.81 0.99548 11'24
  904  297-0.0681(-0.10 0.00-0.10) -1110.41   67.56  8.91 -1022.80 0.99551 11'24
  905  297-0.0614(-0.10-0.01-0.08) -1110.44   67.60  8.91 -1022.79 0.99554 11'24
      Msd:   0.803(O)   0.955(H)   0.000( )   0.000( )   0.000( )   101.6(   10359)
  906  298-0.0532(-0.08-0.01-0.06) -1110.49   67.65  8.90 -1022.79 0.99556 11'24
  907  298-0.0432(-0.07-0.02-0.04) -1110.55   67.72  8.90 -1022.79 0.99559 11'24
  908  297-0.0320(-0.05-0.02-0.02) -1110.62   67.80  8.89 -1022.78 0.99560 11'24
  909  297-0.0212(-0.03-0.02-0.01) -1110.68   67.88  8.88 -1022.78 0.99561 11'24
  910  297-0.0112(-0.01-0.01-0.01) -1110.74   67.96  8.87 -1022.77 0.99562 11'24
      Msd:   0.806(O)   0.957(H)   0.000( )   0.000( )   0.000( )   101.6(   10355)
  911  297-0.0031( 0.00-0.00-0.01) -1110.79   68.02  8.86 -1022.76 0.99562 11'24
  912  298 0.0025( 0.01 0.01-0.01) -1110.81   68.05  8.85 -1022.76 0.99562 11'24
  913  298 0.0051( 0.02 0.01-0.02) -1110.82   68.05  8.85 -1022.76 0.99562 11'24
  914  298 0.0047( 0.02 0.02-0.03) -1110.81   68.03  8.84 -1022.77 0.99562 11'24
  915  299 0.0024( 0.02 0.02-0.03) -1110.80   68.00  8.83 -1022.78 0.99562 11'24
      Msd:   0.808(O)   0.962(H)   0.000( )   0.000( )   0.000( )   101.5(   10395)
  916  298-0.0008( 0.01 0.02-0.03) -1110.77   67.97  8.82 -1022.80 0.99562 11'24
  917  298-0.0049( 0.00 0.02-0.03) -1110.74   67.95  8.82 -1022.81 0.99562 11'24
  918  297-0.0089(-0.01 0.02-0.03) -1110.71   67.93  8.81 -1022.82 0.99562 11'24
  919  297-0.0132(-0.03 0.02-0.03) -1110.67   67.92  8.81 -1022.81 0.99563 11'24
  920  297-0.0179(-0.05 0.03-0.03) -1110.63   67.89  8.81 -1022.80 0.99564 11'24
      Msd:   0.811(O)   0.967(H)   0.000( )   0.000( )   0.000( )   101.5(   10473)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  921  297-0.0236(-0.07 0.03-0.04) -1110.58   67.85  8.81 -1022.79 0.99565 11'24
  922  297-0.0302(-0.09 0.04-0.04) -1110.53   67.79  8.81 -1022.78 0.99565 11'24
  923  298-0.0366(-0.11 0.05-0.05) -1110.48   67.74  8.82 -1022.77 0.99567 11'24
  924  298-0.0421(-0.12 0.05-0.06) -1110.45   67.70  8.83 -1022.77 0.99568 11'24
  925  297-0.0454(-0.13 0.06-0.06) -1110.43   67.67  8.84 -1022.77 0.99569 11'24
      Msd:   0.813(O)   0.971(H)   0.000( )   0.000( )   0.000( )   101.5(   10440)
  926  297-0.0467(-0.13 0.05-0.07) -1110.43   67.67  8.85 -1022.77 0.99571 11'24
  927  297-0.0460(-0.13 0.05-0.06) -1110.44   67.68  8.86 -1022.76 0.99572 11'24
  928  297-0.0434(-0.12 0.04-0.05) -1110.47   67.71  8.87 -1022.76 0.99574 11'24
  929  297-0.0395(-0.11 0.03-0.04) -1110.52   67.74  8.88 -1022.75 0.99576 11'24
  930  298-0.0339(-0.09 0.02-0.03) -1110.58   67.79  8.89 -1022.75 0.99578 11'24
      Msd:   0.816(O)   0.975(H)   0.000( )   0.000( )   0.000( )   101.6(   10295)
  931  298-0.0268(-0.07 0.01-0.02) -1110.64   67.85  8.90 -1022.75 0.99579 11'24
  932  297-0.0189(-0.05 0.00-0.01) -1110.71   67.91  8.91 -1022.74 0.99581 11'24
  933  297-0.0115(-0.03 0.00-0.01) -1110.77   67.98  8.92 -1022.74 0.99582 11'24
  934  297-0.0047(-0.01 0.00-0.01) -1110.83   68.05  8.92 -1022.73 0.99582 11'25
  935  297-0.0001( 0.01 0.01-0.02) -1110.87   68.10  8.93 -1022.71 0.99582 11'25
      Msd:   0.818(O)   0.979(H)   0.000( )   0.000( )   0.000( )   101.6(   10419)
  936  297 0.0021( 0.02 0.01-0.03) -1110.89   68.12  8.93 -1022.70 0.99582 11'25
  937  297 0.0017( 0.02 0.02-0.04) -1110.89   68.12  8.94 -1022.69 0.99582 11'25
  938  298-0.0010( 0.03 0.02-0.05) -1110.87   68.09  8.94 -1022.68 0.99582 11'25
  939  298-0.0064( 0.03 0.02-0.07) -1110.84   68.04  8.95 -1022.68 0.99582 11'25
  940  298-0.0130( 0.03 0.02-0.08) -1110.80   67.99  8.95 -1022.69 0.99583 11'25
      Msd:   0.821(O)   0.983(H)   0.000( )   0.000( )   0.000( )   101.6(   10424)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  941  298-0.0198( 0.02 0.02-0.10) -1110.75   67.94  8.95 -1022.70 0.99584 11'25
  942  298-0.0262( 0.02 0.01-0.11) -1110.71   67.90  8.96 -1022.70 0.99585 11'25
  943  297-0.0314( 0.02 0.02-0.13) -1110.67   67.87  8.96 -1022.70 0.99587 11'25
  944  297-0.0362( 0.01 0.02-0.14) -1110.64   67.84  8.96 -1022.69 0.99589 11'25
  945  297-0.0405( 0.01 0.03-0.16) -1110.60   67.81  8.97 -1022.68 0.99590 11'25
      Msd:   0.823(O)   0.987(H)   0.000( )   0.000( )   0.000( )   101.6(   10480)
  946  298-0.0452(-0.00 0.03-0.17) -1110.57   67.77  8.97 -1022.68 0.99592 11'25
  947  298-0.0487(-0.01 0.04-0.18) -1110.54   67.72  8.97 -1022.68 0.99594 11'25
  948  298-0.0511(-0.02 0.04-0.18) -1110.52   67.69  8.97 -1022.69 0.99595 11'25
  949  298-0.0513(-0.02 0.04-0.18) -1110.52   67.68  8.98 -1022.70 0.99597 11'25
  950  298-0.0493(-0.02 0.04-0.17) -1110.54   67.69  8.98 -1022.70 0.99599 11'25
      Msd:   0.826(O)   0.991(H)   0.000( )   0.000( )   0.000( )   101.7(   10387)
  951  298-0.0452(-0.03 0.04-0.15) -1110.56   67.73  8.98 -1022.71 0.99600 11'25
  952  298-0.0402(-0.03 0.03-0.12) -1110.60   67.77  8.98 -1022.71 0.99601 11'25
  953  298-0.0353(-0.03 0.01-0.09) -1110.64   67.80  8.97 -1022.70 0.99603 11'25
  954  298-0.0304(-0.03-0.00-0.06) -1110.67   67.83  8.97 -1022.71 0.99604 11'25
  955  298-0.0269(-0.03-0.02-0.03) -1110.71   67.84  8.96 -1022.71 0.99605 11'25
      Msd:   0.828(O)   0.995(H)   0.000( )   0.000( )   0.000( )   101.7(   10351)
  956  299-0.0245(-0.04-0.04 0.00) -1110.73   67.85  8.96 -1022.73 0.99605 11'25
  957  299-0.0234(-0.04-0.06 0.02) -1110.75   67.85  8.95 -1022.75 0.99606 11'25
  958  299-0.0232(-0.04-0.07 0.04) -1110.76   67.86  8.94 -1022.77 0.99607 11'25
  959  298-0.0238(-0.04-0.08 0.05) -1110.76   67.86  8.93 -1022.79 0.99607 11'25
  960  298-0.0251(-0.04-0.09 0.05) -1110.75   67.86  8.92 -1022.80 0.99608 11'25
      Msd:   0.830(O)   1.001(H)   0.000( )   0.000( )   0.000( )   101.7(   10362)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  961  298-0.0276(-0.03-0.09 0.04) -1110.73   67.85  8.91 -1022.81 0.99609 11'25
  962  298-0.0307(-0.03-0.09 0.03) -1110.70   67.83  8.90 -1022.81 0.99610 11'25
  963  298-0.0349(-0.03-0.10 0.02) -1110.67   67.80  8.89 -1022.82 0.99611 11'25
  964  298-0.0397(-0.03-0.09 0.00) -1110.64   67.76  8.88 -1022.83 0.99613 11'25
  965  298-0.0447(-0.03-0.09-0.01) -1110.60   67.71  8.87 -1022.84 0.99615 11'25
      Msd:   0.832(O)   1.007(H)   0.000( )   0.000( )   0.000( )   101.6(   10423)
  966  298-0.0495(-0.03-0.08-0.03) -1110.57   67.68  8.86 -1022.85 0.99616 11'25
  967  298-0.0535(-0.04-0.07-0.06) -1110.54   67.65  8.86 -1022.86 0.99618 11'25
  968  298-0.0568(-0.05-0.05-0.08) -1110.52   67.63  8.86 -1022.87 0.99620 11'25
  969  298-0.0586(-0.05-0.03-0.09) -1110.51   67.61  8.86 -1022.87 0.99622 11'25
  970  298-0.0590(-0.06-0.00-0.11) -1110.50   67.60  8.87 -1022.87 0.99624 11'25
      Msd:   0.834(O)   1.012(H)   0.000( )   0.000( )   0.000( )   101.6(   10380)
  971  298-0.0584(-0.08 0.03-0.13) -1110.51   67.60  8.89 -1022.87 0.99626 11'25
  972  298-0.0559(-0.09 0.06-0.14) -1110.53   67.60  8.90 -1022.87 0.99627 11'25
  973  297-0.0513(-0.09 0.09-0.15) -1110.56   67.63  8.92 -1022.87 0.99629 11'25
  974  297-0.0447(-0.10 0.11-0.15) -1110.61   67.67  8.95 -1022.86 0.99630 11'25
  975  296-0.0363(-0.10 0.13-0.14) -1110.67   67.75  8.97 -1022.85 0.99631 11'25
      Msd:   0.836(O)   1.015(H)   0.000( )   0.000( )   0.000( )   101.6(   10341)
  976  296-0.0266(-0.10 0.15-0.12) -1110.74   67.84  9.00 -1022.82 0.99632 11'25
  977  296-0.0172(-0.10 0.15-0.10) -1110.81   67.93  9.02 -1022.79 0.99632 11'25
  978  296-0.0088(-0.10 0.15-0.07) -1110.88   68.00  9.05 -1022.75 0.99633 11'25
  979  296-0.0026(-0.10 0.14-0.05) -1110.93   68.05  9.07 -1022.71 0.99633 11'25
  980  297 0.0008(-0.10 0.12-0.02) -1110.97   68.07  9.09 -1022.69 0.99633 11'25
      Msd:   0.839(O)   1.018(H)   0.000( )   0.000( )   0.000( )   101.6(   10324)
== Original BMH-exp  model                                      (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=15
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  981  297 0.0010(-0.10 0.10 0.00) -1110.99   68.06  9.11 -1022.67 0.99633 11'25
  982  298-0.0010(-0.09 0.08 0.02) -1110.99   68.04  9.13 -1022.66 0.99633 11'25
  983  298-0.0047(-0.09 0.05 0.03) -1110.98   68.01  9.14 -1022.67 0.99633 11'25
  984  298-0.0090(-0.09 0.03 0.03) -1110.97   67.98  9.15 -1022.67 0.99634 11'25
  985  298-0.0136(-0.08 0.01 0.03) -1110.95   67.95  9.15 -1022.68 0.99635 11'25
      Msd:   0.841(O)   1.020(H)   0.000( )   0.000( )   0.000( )   101.6(   10333)
  986  298-0.0172(-0.07 0.00 0.02) -1110.94   67.93  9.16 -1022.69 0.99636 11'25
  987  298-0.0197(-0.06-0.00 0.01) -1110.92   67.92  9.16 -1022.69 0.99638 11'25
  988  297-0.0214(-0.05-0.01-0.00) -1110.92   67.92  9.16 -1022.69 0.99639 11'25
  989  297-0.0225(-0.05-0.01-0.02) -1110.91   67.92  9.16 -1022.68 0.99641 11'25
  990  298-0.0232(-0.04-0.00-0.03) -1110.90   67.92  9.15 -1022.68 0.99643 11'25
      Msd:   0.844(O)   1.021(H)   0.000( )   0.000( )   0.000( )   101.4(   10485)
  991  298-0.0241(-0.03 0.00-0.05) -1110.90   67.91  9.14 -1022.68 0.99645 11'25
  992  298-0.0252(-0.02 0.01-0.06) -1110.89   67.90  9.14 -1022.68 0.99647 11'25
  993  298-0.0258(-0.01 0.02-0.08) -1110.88   67.89  9.13 -1022.69 0.99649 11'25
  994  298-0.0261(-0.01 0.02-0.09) -1110.88   67.89  9.12 -1022.70 0.99651 11'25
  995  298-0.0259(-0.01 0.03-0.10) -1110.87   67.89  9.11 -1022.71 0.99653 11'26
      Msd:   0.846(O)   1.020(H)   0.000( )   0.000( )   0.000( )   101.5(   10460)
  996  298-0.0250(-0.01 0.04-0.11) -1110.87   67.89  9.09 -1022.71 0.99655 11'26
  997  298-0.0233(-0.01 0.05-0.11) -1110.86   67.90  9.08 -1022.72 0.99656 11'26
  998  298-0.0217(-0.01 0.06-0.11) -1110.86   67.92  9.06 -1022.72 0.99657 11'26
  999  298-0.0191(-0.01 0.06-0.10) -1110.86   67.93  9.05 -1022.72 0.99658 11'26
 1000  297-0.0165(-0.02 0.06-0.09) -1110.85   67.96  9.03 -1022.72 0.99659 11'26
      Msd:   0.849(O)   1.018(H)   0.000( )   0.000( )   0.000( )   101.4(   10438)
--------------------------------------------------------------------------------
 Avr   298-0.0283(-0.04 0.02-0.06) -1110.70   67.84  8.95 -1022.75 0.99600
 Std     0 0.0196( 0.04 0.05 0.06)     0.17    0.15  0.10     0.06 0.00032
--------------------------------------------------------------------------------
 Temperatures: O : 296 H : 298
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  Original BMH-exp  model                                       ====>>>

   =========================================================================
    ===== Started at 15:11: 8 on 11/19, finished at 15:11:26 on 11/19 =====
   =========================================================================
