 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]: NaCl (Rock Salt), Crystal Data                               ===== 
=====[F5]: NaCl                                                         ===== 
Option[ 1:MD......  2:START     3:ECONOMY   4:NOACCUM   5:T SCALIN  6:P SCALIN]
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      [13:         14:         15:         16:         17:AMORPHOU 18:        ]
      [19:         20:         21:         22:         23:         24:        ]
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      [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 14:17:13 on 2025/11/19   from       1-st step, until    1000-th step
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
    1   17-0.9679(-0.96-0.96-0.96)  -860.96   76.66  0.00  -783.85 2.16853 17'13
    2  133-0.8404(-0.83-0.84-0.83)  -861.63   77.28  0.00  -781.02 2.17370 17'13
    3  188-0.7490(-0.74-0.75-0.74)  -862.32   77.91  0.00  -779.71 2.17838 17'13
    4  234-0.6670(-0.65-0.67-0.66)  -862.93   78.49  0.00  -778.59 2.18258 17'13
    5  260-0.6012(-0.59-0.60-0.59)  -863.49   79.03  0.00  -777.95 2.18641 17'13
      Msd:   0.000(C)   0.000(N)   0.000( )   0.000( )   0.000( )
    6  275-0.5454(-0.53-0.55-0.54)  -863.99   79.53  0.00  -777.58 2.18990 17'13
    7  284-0.4962(-0.48-0.50-0.49)  -864.45   80.01  0.00  -777.36 2.19309 17'13
    8  288-0.4516(-0.44-0.45-0.44)  -864.87   80.46  0.00  -777.23 2.19602 17'13
    9  290-0.4102(-0.40-0.41-0.40)  -865.26   80.89  0.00  -777.13 2.19868 17'13
   10  290-0.3714(-0.36-0.37-0.36)  -865.61   81.31  0.00  -777.05 2.20111 17'13
      Msd:   0.002(C)   0.002(N)   0.000( )   0.000( )   0.000( )
   11  290-0.3345(-0.32-0.34-0.32)  -865.93   81.71  0.00  -776.98 2.20330 17'13
   12  290-0.2994(-0.29-0.30-0.29)  -866.22   82.09  0.00  -776.90 2.20526 17'13
   13  289-0.2659(-0.26-0.27-0.25)  -866.48   82.46  0.00  -776.81 2.20701 17'13
   14  288-0.2339(-0.22-0.23-0.22)  -866.72   82.81  0.00  -776.71 2.20856 17'13
   15  287-0.2032(-0.19-0.20-0.19)  -866.93   83.16  0.00  -776.59 2.20990 17'13
      Msd:   0.004(C)   0.004(N)   0.000( )   0.000( )   0.000( )
   16  286-0.1739(-0.17-0.17-0.16)  -867.11   83.48  0.00  -776.47 2.21105 17'13
   17  286-0.1457(-0.14-0.15-0.13)  -867.27   83.80  0.00  -776.34 2.21201 17'13
   18  285-0.1187(-0.11-0.12-0.10)  -867.41   84.10  0.00  -776.19 2.21280 17'13
   19  284-0.0928(-0.09-0.09-0.07)  -867.53   84.40  0.00  -776.04 2.21342 17'13
   20  283-0.0680(-0.06-0.07-0.05)  -867.63   84.68  0.00  -775.87 2.21387 17'13
      Msd:   0.008(C)   0.008(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
   21  282-0.0442(-0.04-0.04-0.02)  -867.70   84.96  0.00  -775.69 2.21417 17'13
   22  282-0.0213(-0.02-0.02-0.00)  -867.77   85.22  0.00  -775.51 2.21431 17'13
   23  281 0.0006( 0.00 0.00 0.02)  -867.81   85.48  0.00  -775.31 2.21430 17'13
   24  280 0.0217( 0.02 0.02 0.04)  -867.84   85.73  0.00  -775.11 2.21418 17'13
   25  280 0.0422( 0.04 0.04 0.07)  -867.86   85.98  0.00  -774.90 2.21397 17'13
      Msd:   0.013(C)   0.013(N)   0.000( )   0.000( )   0.000( )
   26  279 0.0626( 0.06 0.06 0.09)  -867.87   86.22  0.00  -774.68 2.21370 17'13
   27  278 0.0830( 0.08 0.08 0.11)  -867.87   86.47  0.00  -774.45 2.21340 17'13
   28  278 0.1038( 0.10 0.10 0.13)  -867.88   86.72  0.00  -774.22 2.21307 17'13
   29  277 0.1251( 0.12 0.13 0.15)  -867.89   86.98  0.00  -773.98 2.21272 17'13
   30  277 0.1470( 0.14 0.15 0.18)  -867.90   87.24  0.00  -773.74 2.21237 17'13
      Msd:   0.019(C)   0.019(N)   0.000( )   0.000( )   0.000( )
   31  277 0.1695( 0.16 0.17 0.20)  -867.92   87.52  0.00  -773.49 2.21202 17'13
   32  276 0.1927( 0.18 0.19 0.23)  -867.94   87.80  0.00  -773.24 2.21168 17'13
   33  276 0.2167( 0.20 0.22 0.25)  -867.97   88.09  0.00  -772.98 2.21135 17'13
   34  276 0.2413( 0.23 0.24 0.28)  -868.00   88.39  0.00  -772.72 2.21103 17'13
   35  275 0.2668( 0.25 0.27 0.30)  -868.04   88.70  0.00  -772.46 2.21072 17'13
      Msd:   0.027(C)   0.026(N)   0.000( )   0.000( )   0.000( )
   36  275 0.2929( 0.28 0.30 0.33)  -868.09   89.02  0.00  -772.19 2.21043 17'13
   37  275 0.3197( 0.30 0.32 0.36)  -868.15   89.35  0.00  -771.93 2.21016 17'13
   38  275 0.3471( 0.33 0.35 0.39)  -868.22   89.69  0.00  -771.66 2.20990 17'13
   39  275 0.3752( 0.35 0.38 0.42)  -868.29   90.03  0.00  -771.39 2.20966 17'13
   40  275 0.4036( 0.38 0.41 0.45)  -868.37   90.38  0.00  -771.12 2.20939 17'13
      Msd:   0.035(C)   0.033(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
   41  275 0.4321( 0.40 0.44 0.48)  -868.46   90.72  0.00  -770.85 2.20910 17'13
   42  275 0.4606( 0.43 0.47 0.51)  -868.54   91.07  0.00  -770.59 2.20880 17'13
   43  275 0.4889( 0.45 0.50 0.54)  -868.63   91.42  0.00  -770.32 2.20847 17'13
   44  276 0.5171( 0.48 0.53 0.57)  -868.72   91.77  0.00  -770.06 2.20813 17'13
   45  276 0.5450( 0.51 0.56 0.60)  -868.81   92.12  0.00  -769.80 2.20777 17'13
      Msd:   0.045(C)   0.041(N)   0.000( )   0.000( )   0.000( )
   46  276 0.5726( 0.53 0.59 0.63)  -868.90   92.46  0.00  -769.54 2.20739 17'13
   47  277 0.5998( 0.56 0.61 0.65)  -869.00   92.80  0.00  -769.29 2.20699 17'13
   48  277 0.6266( 0.58 0.64 0.68)  -869.09   93.13  0.00  -769.04 2.20658 17'13
   49  277 0.6528( 0.60 0.67 0.71)  -869.18   93.46  0.00  -768.79 2.20615 17'13
   50  278 0.6784( 0.63 0.70 0.73)  -869.27   93.78  0.00  -768.55 2.20570 17'13
      Msd:   0.055(C)   0.049(N)   0.000( )   0.000( )   0.000( )
   51  278 0.7033( 0.65 0.72 0.76)  -869.36   94.10  0.00  -768.31 2.20523 17'13
   52  279 0.7275( 0.67 0.75 0.78)  -869.45   94.40  0.00  -768.08 2.20475 17'13
   53  279 0.7509( 0.69 0.78 0.81)  -869.53   94.70  0.00  -767.86 2.20426 17'13
   54  280 0.7734( 0.71 0.80 0.83)  -869.61   94.98  0.00  -767.64 2.20375 17'13
   55  280 0.7949( 0.73 0.82 0.85)  -869.69   95.26  0.00  -767.43 2.20322 17'13
      Msd:   0.065(C)   0.057(N)   0.000( )   0.000( )   0.000( )
   56  281 0.8155( 0.75 0.85 0.87)  -869.76   95.52  0.00  -767.22 2.20268 17'13
   57  281 0.8350( 0.77 0.87 0.89)  -869.82   95.77  0.00  -767.02 2.20213 17'13
   58  282 0.8533( 0.78 0.89 0.91)  -869.88   96.00  0.00  -766.83 2.20157 17'13
   59  282 0.8705( 0.80 0.91 0.93)  -869.92   96.22  0.00  -766.64 2.20099 17'13
   60  283 0.8866( 0.81 0.93 0.94)  -869.96   96.43  0.00  -766.46 2.20041 17'13
      Msd:   0.076(C)   0.065(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
   61  283 0.9014( 0.82 0.94 0.96)  -869.99   96.62  0.00  -766.29 2.19981 17'13
   62  284 0.9149( 0.84 0.96 0.97)  -870.02   96.80  0.00  -766.12 2.19921 17'13
   63  284 0.9271( 0.85 0.97 0.98)  -870.03   96.95  0.00  -765.96 2.19860 17'13
   64  285 0.9381( 0.86 0.99 0.99)  -870.03   97.10  0.00  -765.81 2.19798 17'13
   65  286 0.9477( 0.87 1.00 1.00)  -870.02   97.22  0.00  -765.66 2.19736 17'13
      Msd:   0.087(C)   0.073(N)   0.000( )   0.000( )   0.000( )
   66  286 0.9561( 0.87 1.01 1.01)  -870.00   97.33  0.00  -765.52 2.19673 17'13
   67  287 0.9631( 0.88 1.02 1.02)  -869.97   97.42  0.00  -765.39 2.19609 17'13
   68  287 0.9688( 0.89 1.02 1.02)  -869.93   97.50  0.00  -765.26 2.19546 17'13
   69  287 0.9733( 0.89 1.03 1.02)  -869.87   97.55  0.00  -765.14 2.19482 17'13
   70  288 0.9765( 0.89 1.03 1.02)  -869.81   97.59  0.00  -765.02 2.19417 17'13
      Msd:   0.098(C)   0.080(N)   0.000( )   0.000( )   0.000( )
   71  288 0.9785( 0.90 1.04 1.03)  -869.73   97.62  0.00  -764.91 2.19353 17'13
   72  289 0.9792( 0.90 1.04 1.02)  -869.64   97.63  0.00  -764.80 2.19289 17'13
   73  289 0.9788( 0.90 1.04 1.02)  -869.54   97.63  0.00  -764.70 2.19224 17'13
   74  290 0.9773( 0.90 1.04 1.02)  -869.44   97.61  0.00  -764.60 2.19150 17'13
   75  290 0.9734( 0.90 1.03 1.01)  -869.31   97.56  0.00  -764.51 2.19064 17'13
      Msd:   0.108(C)   0.087(N)   0.000( )   0.000( )   0.000( )
   76  290 0.9668( 0.89 1.03 1.00)  -869.15   97.48  0.00  -764.42 2.18966 17'13
   77  291 0.9576( 0.88 1.02 0.99)  -868.97   97.37  0.00  -764.34 2.18853 17'13
   78  291 0.9455( 0.87 1.01 0.98)  -868.76   97.23  0.00  -764.26 2.18725 17'13
   79  291 0.9303( 0.86 0.99 0.96)  -868.53   97.05  0.00  -764.19 2.18579 17'13
   80  292 0.9120( 0.84 0.97 0.94)  -868.26   96.84  0.00  -764.13 2.18413 17'13
      Msd:   0.117(C)   0.094(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
   81  292 0.8903( 0.83 0.95 0.92)  -867.96   96.59  0.00  -764.07 2.18227 17'13
   82  292 0.8652( 0.80 0.92 0.89)  -867.63   96.30  0.00  -764.02 2.18017 17'13
   83  293 0.8364( 0.78 0.89 0.86)  -867.26   95.98  0.00  -763.97 2.17784 17'13
   84  293 0.8039( 0.75 0.86 0.82)  -866.86   95.61  0.00  -763.93 2.17525 17'13
   85  293 0.7677( 0.72 0.82 0.79)  -866.42   95.20  0.00  -763.89 2.17240 17'13
      Msd:   0.125(C)   0.100(N)   0.000( )   0.000( )   0.000( )
   86  294 0.7277( 0.68 0.78 0.74)  -865.94   94.75  0.00  -763.86 2.16928 17'13
   87  294 0.6840( 0.64 0.74 0.70)  -865.43   94.26  0.00  -763.83 2.16592 17'13
   88  294 0.6369( 0.60 0.69 0.65)  -864.88   93.73  0.00  -763.80 2.16230 17'13
   89  294 0.5866( 0.55 0.64 0.60)  -864.30   93.16  0.00  -763.78 2.15861 17'13
   90  295 0.5354( 0.50 0.58 0.54)  -863.70   92.58  0.00  -763.76 2.15523 17'13
      Msd:   0.133(C)   0.106(N)   0.000( )   0.000( )   0.000( )
   91  295 0.4883( 0.46 0.53 0.50)  -863.15   92.05  0.00  -763.74 2.15214 17'13
   92  295 0.4449( 0.42 0.49 0.45)  -862.65   91.56  0.00  -763.71 2.14932 17'13
   93  295 0.4050( 0.38 0.45 0.41)  -862.18   91.10  0.00  -763.69 2.14675 17'13
   94  296 0.3684( 0.35 0.41 0.37)  -861.74   90.68  0.00  -763.67 2.14441 17'13
   95  296 0.3347( 0.32 0.37 0.34)  -861.35   90.29  0.00  -763.66 2.14228 17'13
      Msd:   0.139(C)   0.111(N)   0.000( )   0.000( )   0.000( )
   96  296 0.3039( 0.29 0.34 0.30)  -860.98   89.94  0.00  -763.64 2.14034 17'13
   97  297 0.2756( 0.27 0.31 0.27)  -860.65   89.61  0.00  -763.63 2.13859 17'13
   98  297 0.2498( 0.24 0.28 0.25)  -860.34   89.31  0.00  -763.61 2.13700 17'13
   99  297 0.2261( 0.22 0.26 0.22)  -860.06   89.04  0.00  -763.61 2.13555 17'13
  100  297 0.2045( 0.20 0.23 0.20)  -859.81   88.79  0.00  -763.60 2.13425 17'13
      Msd:   0.145(C)   0.115(N)   0.000( )   0.000( )   0.000( )
--------------------------------------------------------------------------------
 Avr   279 0.3860( 0.35 0.41 0.42)  -867.14   90.47  0.00  -769.70 2.19298
 Std    32 0.5002( 0.47 0.52 0.51)     2.78    5.91  0.00     5.35 0.02182
--------------------------------------------------------------------------------
 Temperatures: Cl: 330 Na: 228
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  NaCl                                                          ====>>>
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  101  297 0.1848( 0.18 0.21 0.18)  -859.58   88.56  0.00  -763.59 2.13307 17'13
  102  298 0.1668( 0.17 0.19 0.16)  -859.38   88.35  0.00  -763.59 2.13201 17'13
  103  298 0.1505( 0.15 0.18 0.14)  -859.19   88.16  0.00  -763.59 2.13105 17'13
  104  298 0.1356( 0.14 0.16 0.13)  -859.03   87.99  0.00  -763.60 2.13018 17'13
  105  298 0.1222( 0.13 0.15 0.11)  -858.88   87.83  0.00  -763.60 2.12940 17'13
      Msd:   0.149(C)   0.119(N)   0.000( )   0.000( )   0.000( )
  106  298 0.1100( 0.12 0.14 0.10)  -858.76   87.69  0.00  -763.61 2.12870 17'13
  107  299 0.0990( 0.11 0.12 0.09)  -858.65   87.57  0.00  -763.62 2.12807 17'13
  108  299 0.0892( 0.10 0.11 0.08)  -858.55   87.45  0.00  -763.63 2.12750 17'13
  109  299 0.0803( 0.09 0.11 0.07)  -858.47   87.35  0.00  -763.65 2.12699 17'13
  110  299 0.0723( 0.08 0.10 0.06)  -858.40   87.27  0.00  -763.66 2.12653 17'13
      Msd:   0.152(C)   0.122(N)   0.000( )   0.000( )   0.000( )
  111  299 0.0652( 0.07 0.09 0.06)  -858.35   87.19  0.00  -763.68 2.12612 17'13
  112  299 0.0589( 0.07 0.08 0.05)  -858.30   87.12  0.00  -763.70 2.12574 17'13
  113  299 0.0532( 0.06 0.08 0.04)  -858.27   87.06  0.00  -763.72 2.12540 17'13
  114  300 0.0483( 0.06 0.07 0.04)  -858.24   87.01  0.00  -763.74 2.12510 17'13
  115  300 0.0438( 0.05 0.07 0.03)  -858.22   86.97  0.00  -763.77 2.12482 17'13
      Msd:   0.154(C)   0.125(N)   0.000( )   0.000( )   0.000( )
  116  300 0.0399( 0.05 0.07 0.03)  -858.21   86.93  0.00  -763.79 2.12456 17'13
  117  300 0.0365( 0.04 0.06 0.02)  -858.21   86.90  0.00  -763.82 2.12433 17'13
  118  300 0.0335( 0.04 0.06 0.02)  -858.21   86.87  0.00  -763.85 2.12412 17'13
  119  300 0.0308( 0.04 0.06 0.02)  -858.22   86.85  0.00  -763.87 2.12392 17'13
  120  300 0.0285( 0.03 0.06 0.02)  -858.23   86.83  0.00  -763.90 2.12374 17'13
      Msd:   0.155(C)   0.127(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  121  300 0.0264( 0.03 0.06 0.01)  -858.24   86.81  0.00  -763.93 2.12358 17'13
  122  300 0.0245( 0.03 0.06 0.01)  -858.26   86.80  0.00  -763.96 2.12342 17'13
  123  300 0.0228( 0.03 0.06 0.01)  -858.28   86.79  0.00  -763.99 2.12327 17'13
  124  300 0.0213( 0.02 0.06 0.01)  -858.31   86.78  0.00  -764.02 2.12314 17'13
  125  300 0.0199( 0.02 0.06 0.01)  -858.33   86.78  0.00  -764.05 2.12301 17'13
      Msd:   0.155(C)   0.129(N)   0.000( )   0.000( )   0.000( )
  126  300 0.0186( 0.02 0.05 0.01)  -858.36   86.77  0.00  -764.09 2.12290 17'13
  127  300 0.0173( 0.02 0.05 0.00)  -858.39   86.76  0.00  -764.12 2.12279 17'13
  128  300 0.0160( 0.01 0.05 0.00)  -858.41   86.76  0.00  -764.15 2.12269 17'13
  129  300 0.0147( 0.01 0.05 0.00)  -858.44   86.75  0.00  -764.19 2.12259 17'13
  130  301 0.0134( 0.01 0.05 0.00)  -858.47   86.74  0.00  -764.22 2.12251 17'13
      Msd:   0.154(C)   0.130(N)   0.000( )   0.000( )   0.000( )
  131  301 0.0121( 0.01 0.05 0.00)  -858.50   86.73  0.00  -764.26 2.12243 17'13
  132  301 0.0107( 0.01 0.05-0.00)  -858.53   86.72  0.00  -764.30 2.12237 17'13
  133  301 0.0093( 0.00 0.05-0.00)  -858.56   86.71  0.00  -764.33 2.12232 17'13
  134  301 0.0079( 0.00 0.05-0.00)  -858.59   86.70  0.00  -764.37 2.12228 17'13
  135  301 0.0063(-0.00 0.05-0.00)  -858.62   86.68  0.00  -764.41 2.12225 17'13
      Msd:   0.152(C)   0.131(N)   0.000( )   0.000( )   0.000( )
  136  301 0.0046(-0.00 0.04-0.00)  -858.65   86.67  0.00  -764.46 2.12223 17'13
  137  301 0.0028(-0.01 0.04-0.00)  -858.67   86.65  0.00  -764.50 2.12222 17'13
  138  301 0.0009(-0.01 0.04-0.01)  -858.70   86.63  0.00  -764.54 2.12221 17'13
  139  301-0.0012(-0.01 0.04-0.01)  -858.73   86.61  0.00  -764.59 2.12222 17'13
  140  302-0.0034(-0.01 0.03-0.01)  -858.75   86.58  0.00  -764.64 2.12223 17'13
      Msd:   0.149(C)   0.131(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  141  302-0.0059(-0.02 0.03-0.01)  -858.78   86.55  0.00  -764.69 2.12225 17'13
  142  302-0.0085(-0.02 0.03-0.01)  -858.80   86.52  0.00  -764.74 2.12229 17'13
  143  302-0.0113(-0.02 0.02-0.01)  -858.82   86.49  0.00  -764.79 2.12232 17'13
  144  302-0.0142(-0.03 0.02-0.01)  -858.84   86.46  0.00  -764.84 2.12237 17'13
  145  302-0.0174(-0.03 0.02-0.02)  -858.86   86.42  0.00  -764.90 2.12242 17'13
      Msd:   0.145(C)   0.131(N)   0.000( )   0.000( )   0.000( )
  146  302-0.0207(-0.03 0.01-0.02)  -858.88   86.38  0.00  -764.95 2.12248 17'13
  147  302-0.0243(-0.04 0.01-0.02)  -858.90   86.33  0.00  -765.01 2.12255 17'13
  148  303-0.0280(-0.04 0.00-0.02)  -858.92   86.29  0.00  -765.07 2.12262 17'13
  149  303-0.0320(-0.05-0.00-0.02)  -858.93   86.24  0.00  -765.14 2.12269 17'13
  150  303-0.0362(-0.05-0.01-0.03)  -858.95   86.18  0.00  -765.20 2.12275 17'13
      Msd:   0.141(C)   0.131(N)   0.000( )   0.000( )   0.000( )
  151  303-0.0408(-0.06-0.01-0.03)  -858.96   86.13  0.00  -765.26 2.12281 17'13
  152  303-0.0456(-0.06-0.02-0.03)  -858.97   86.07  0.00  -765.33 2.12287 17'13
  153  303-0.0507(-0.07-0.03-0.04)  -858.98   86.00  0.00  -765.40 2.12293 17'13
  154  303-0.0561(-0.07-0.03-0.04)  -858.98   85.94  0.00  -765.47 2.12299 17'13
  155  303-0.0617(-0.08-0.04-0.05)  -858.99   85.87  0.00  -765.54 2.12304 17'13
      Msd:   0.136(C)   0.130(N)   0.000( )   0.000( )   0.000( )
  156  304-0.0676(-0.08-0.05-0.05)  -858.99   85.80  0.00  -765.61 2.12309 17'13
  157  304-0.0737(-0.09-0.05-0.06)  -858.99   85.72  0.00  -765.69 2.12314 17'13
  158  304-0.0801(-0.10-0.06-0.06)  -858.99   85.64  0.00  -765.76 2.12319 17'13
  159  304-0.0867(-0.10-0.07-0.07)  -858.99   85.56  0.00  -765.84 2.12325 17'13
  160  304-0.0933(-0.11-0.08-0.07)  -858.99   85.48  0.00  -765.92 2.12331 17'13
      Msd:   0.131(C)   0.128(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  161  304-0.1002(-0.12-0.08-0.08)  -858.99   85.39  0.00  -766.00 2.12337 17'13
  162  304-0.1071(-0.13-0.09-0.08)  -858.99   85.31  0.00  -766.08 2.12344 17'13
  163  304-0.1142(-0.13-0.10-0.09)  -858.99   85.22  0.00  -766.16 2.12351 17'13
  164  304-0.1213(-0.14-0.11-0.09)  -858.98   85.13  0.00  -766.25 2.12359 17'13
  165  304-0.1286(-0.15-0.11-0.10)  -858.98   85.05  0.00  -766.33 2.12367 17'13
      Msd:   0.126(C)   0.126(N)   0.000( )   0.000( )   0.000( )
  166  304-0.1359(-0.16-0.12-0.11)  -858.98   84.96  0.00  -766.42 2.12376 17'13
  167  305-0.1433(-0.16-0.13-0.11)  -858.98   84.86  0.00  -766.50 2.12385 17'13
  168  305-0.1507(-0.17-0.14-0.12)  -858.97   84.77  0.00  -766.59 2.12394 17'13
  169  305-0.1582(-0.18-0.15-0.13)  -858.97   84.68  0.00  -766.68 2.12405 17'13
  170  305-0.1658(-0.19-0.15-0.13)  -858.97   84.59  0.00  -766.77 2.12415 17'13
      Msd:   0.121(C)   0.124(N)   0.000( )   0.000( )   0.000( )
  171  305-0.1733(-0.19-0.16-0.14)  -858.97   84.50  0.00  -766.86 2.12426 17'13
  172  305-0.1809(-0.20-0.17-0.15)  -858.96   84.40  0.00  -766.95 2.12438 17'13
  173  305-0.1885(-0.21-0.18-0.16)  -858.96   84.31  0.00  -767.04 2.12450 17'13
  174  305-0.1961(-0.22-0.19-0.16)  -858.96   84.22  0.00  -767.13 2.12462 17'13
  175  305-0.2037(-0.22-0.19-0.17)  -858.96   84.13  0.00  -767.22 2.12475 17'13
      Msd:   0.116(C)   0.121(N)   0.000( )   0.000( )   0.000( )
  176  305-0.2113(-0.23-0.20-0.18)  -858.96   84.03  0.00  -767.31 2.12489 17'13
  177  305-0.2189(-0.24-0.21-0.19)  -858.95   83.94  0.00  -767.40 2.12503 17'13
  178  305-0.2264(-0.25-0.22-0.19)  -858.95   83.85  0.00  -767.49 2.12517 17'13
  179  305-0.2339(-0.25-0.23-0.20)  -858.95   83.76  0.00  -767.58 2.12532 17'13
  180  305-0.2413(-0.26-0.23-0.21)  -858.95   83.67  0.00  -767.67 2.12547 17'13
      Msd:   0.111(C)   0.117(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  181  305-0.2487(-0.27-0.24-0.22)  -858.95   83.58  0.00  -767.76 2.12563 17'13
  182  305-0.2561(-0.27-0.25-0.22)  -858.95   83.49  0.00  -767.85 2.12580 17'13
  183  305-0.2633(-0.28-0.26-0.23)  -858.95   83.40  0.00  -767.94 2.12596 17'13
  184  305-0.2706(-0.29-0.26-0.24)  -858.95   83.31  0.00  -768.03 2.12614 17'13
  185  305-0.2777(-0.29-0.27-0.24)  -858.95   83.23  0.00  -768.12 2.12631 17'13
      Msd:   0.106(C)   0.114(N)   0.000( )   0.000( )   0.000( )
  186  305-0.2848(-0.30-0.28-0.25)  -858.96   83.14  0.00  -768.21 2.12650 17'13
  187  304-0.2918(-0.31-0.29-0.26)  -858.96   83.05  0.00  -768.30 2.12668 17'13
  188  304-0.2987(-0.31-0.29-0.27)  -858.96   82.97  0.00  -768.38 2.12687 17'13
  189  304-0.3055(-0.32-0.30-0.27)  -858.96   82.89  0.00  -768.47 2.12707 17'13
  190  304-0.3123(-0.33-0.31-0.28)  -858.96   82.80  0.00  -768.56 2.12727 17'13
      Msd:   0.101(C)   0.110(N)   0.000( )   0.000( )   0.000( )
  191  304-0.3189(-0.33-0.31-0.29)  -858.97   82.72  0.00  -768.64 2.12747 17'13
  192  304-0.3254(-0.34-0.32-0.30)  -858.97   82.64  0.00  -768.73 2.12768 17'13
  193  304-0.3319(-0.34-0.33-0.30)  -858.97   82.56  0.00  -768.81 2.12789 17'13
  194  304-0.3382(-0.35-0.34-0.31)  -858.98   82.49  0.00  -768.89 2.12811 17'13
  195  304-0.3444(-0.35-0.34-0.32)  -858.98   82.41  0.00  -768.98 2.12833 17'13
      Msd:   0.097(C)   0.106(N)   0.000( )   0.000( )   0.000( )
  196  304-0.3505(-0.36-0.35-0.32)  -858.99   82.33  0.00  -769.06 2.12855 17'13
  197  304-0.3565(-0.36-0.35-0.33)  -858.99   82.26  0.00  -769.14 2.12878 17'13
  198  304-0.3624(-0.37-0.36-0.34)  -859.00   82.19  0.00  -769.22 2.12901 17'13
  199  304-0.3681(-0.37-0.37-0.34)  -859.00   82.12  0.00  -769.30 2.12924 17'13
  200  304-0.3736(-0.38-0.37-0.35)  -859.01   82.05  0.00  -769.38 2.12948 17'13
      Msd:   0.093(C)   0.102(N)   0.000( )   0.000( )   0.000( )
--------------------------------------------------------------------------------
 Avr   302-0.0864(-0.10-0.06-0.08)  -858.78   85.51  0.00  -765.72 2.12484
 Std     2 0.1451( 0.15 0.16 0.13)     0.29    1.71  0.00     1.82 0.00249
--------------------------------------------------------------------------------
 Temperatures: Cl: 327 Na: 277
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  NaCl                                                          ====>>>
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  201  303-0.3791(-0.38-0.38-0.35)  -859.01   81.98  0.00  -769.45 2.12973 17'13
  202  303-0.3843(-0.39-0.38-0.36)  -859.02   81.91  0.00  -769.53 2.12997 17'13
  203  303-0.3894(-0.39-0.39-0.37)  -859.03   81.85  0.00  -769.60 2.13022 17'13
  204  303-0.3944(-0.39-0.39-0.37)  -859.03   81.79  0.00  -769.67 2.13047 17'13
  205  303-0.3991(-0.40-0.40-0.38)  -859.04   81.73  0.00  -769.74 2.13073 17'13
      Msd:   0.089(C)   0.098(N)   0.000( )   0.000( )   0.000( )
  206  303-0.4037(-0.40-0.40-0.38)  -859.05   81.67  0.00  -769.81 2.13099 17'13
  207  303-0.4080(-0.41-0.41-0.39)  -859.06   81.61  0.00  -769.88 2.13125 17'13
  208  303-0.4122(-0.41-0.41-0.39)  -859.07   81.56  0.00  -769.95 2.13151 17'13
  209  302-0.4162(-0.41-0.42-0.40)  -859.08   81.51  0.00  -770.01 2.13178 17'13
  210  302-0.4199(-0.41-0.42-0.40)  -859.08   81.46  0.00  -770.07 2.13204 17'13
      Msd:   0.086(C)   0.095(N)   0.000( )   0.000( )   0.000( )
  211  302-0.4235(-0.42-0.42-0.41)  -859.09   81.42  0.00  -770.13 2.13232 17'13
  212  302-0.4268(-0.42-0.43-0.41)  -859.10   81.37  0.00  -770.19 2.13259 17'13
  213  302-0.4299(-0.42-0.43-0.42)  -859.12   81.33  0.00  -770.24 2.13286 17'13
  214  302-0.4327(-0.42-0.43-0.42)  -859.13   81.30  0.00  -770.30 2.13314 17'13
  215  301-0.4353(-0.43-0.43-0.42)  -859.14   81.26  0.00  -770.35 2.13342 17'13
      Msd:   0.083(C)   0.091(N)   0.000( )   0.000( )   0.000( )
  216  301-0.4376(-0.43-0.44-0.43)  -859.15   81.23  0.00  -770.40 2.13370 17'13
  217  301-0.4397(-0.43-0.44-0.43)  -859.16   81.20  0.00  -770.44 2.13398 17'14
  218  301-0.4415(-0.43-0.44-0.43)  -859.18   81.18  0.00  -770.48 2.13426 17'14
  219  301-0.4431(-0.43-0.44-0.43)  -859.19   81.16  0.00  -770.53 2.13455 17'14
  220  300-0.4444(-0.43-0.44-0.44)  -859.20   81.14  0.00  -770.56 2.13483 17'14
      Msd:   0.081(C)   0.088(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  221  300-0.4454(-0.43-0.44-0.44)  -859.22   81.12  0.00  -770.60 2.13512 17'14
  222  300-0.4462(-0.43-0.44-0.44)  -859.23   81.11  0.00  -770.63 2.13540 17'14
  223  300-0.4467(-0.43-0.44-0.44)  -859.25   81.10  0.00  -770.66 2.13569 17'14
  224  299-0.4469(-0.43-0.44-0.44)  -859.27   81.10  0.00  -770.69 2.13599 17'14
  225  299-0.4467(-0.43-0.44-0.44)  -859.29   81.10  0.00  -770.71 2.13631 17'14
      Msd:   0.079(C)   0.085(N)   0.000( )   0.000( )   0.000( )
  226  299-0.4461(-0.43-0.44-0.44)  -859.31   81.10  0.00  -770.73 2.13664 17'14
  227  299-0.4450(-0.43-0.44-0.44)  -859.33   81.11  0.00  -770.75 2.13702 17'14
  228  299-0.4431(-0.43-0.44-0.44)  -859.36   81.13  0.00  -770.77 2.13746 17'14
  229  298-0.4402(-0.43-0.43-0.44)  -859.40   81.16  0.00  -770.79 2.13797 17'14
  230  298-0.4363(-0.42-0.43-0.44)  -859.45   81.20  0.00  -770.80 2.13855 17'14
      Msd:   0.077(C)   0.083(N)   0.000( )   0.000( )   0.000( )
  231  298-0.4313(-0.42-0.42-0.43)  -859.52   81.26  0.00  -770.81 2.13921 17'14
  232  298-0.4250(-0.41-0.42-0.42)  -859.59   81.33  0.00  -770.82 2.13997 17'14
  233  298-0.4175(-0.40-0.41-0.42)  -859.67   81.41  0.00  -770.83 2.14084 17'14
  234  297-0.4084(-0.39-0.40-0.41)  -859.78   81.51  0.00  -770.83 2.14181 17'14
  235  297-0.3978(-0.38-0.39-0.40)  -859.89   81.63  0.00  -770.84 2.14292 17'14
      Msd:   0.075(C)   0.080(N)   0.000( )   0.000( )   0.000( )
  236  297-0.3855(-0.37-0.38-0.39)  -860.03   81.77  0.00  -770.84 2.14415 17'14
  237  297-0.3714(-0.36-0.36-0.37)  -860.18   81.93  0.00  -770.84 2.14553 17'14
  238  297-0.3554(-0.34-0.34-0.36)  -860.36   82.11  0.00  -770.84 2.14706 17'14
  239  297-0.3374(-0.32-0.33-0.34)  -860.55   82.31  0.00  -770.84 2.14874 17'14
  240  296-0.3173(-0.30-0.31-0.32)  -860.77   82.53  0.00  -770.83 2.15056 17'14
      Msd:   0.074(C)   0.078(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  241  296-0.2953(-0.28-0.28-0.30)  -861.01   82.77  0.00  -770.83 2.15246 17'14
  242  296-0.2722(-0.26-0.26-0.27)  -861.25   83.03  0.00  -770.82 2.15421 17'14
  243  296-0.2505(-0.24-0.24-0.25)  -861.48   83.27  0.00  -770.81 2.15582 17'14
  244  296-0.2302(-0.22-0.22-0.23)  -861.70   83.50  0.00  -770.80 2.15730 17'14
  245  296-0.2110(-0.20-0.20-0.21)  -861.89   83.71  0.00  -770.79 2.15866 17'14
      Msd:   0.072(C)   0.077(N)   0.000( )   0.000( )   0.000( )
  246  296-0.1931(-0.18-0.18-0.19)  -862.07   83.91  0.00  -770.77 2.15991 17'14
  247  296-0.1763(-0.17-0.16-0.18)  -862.24   84.10  0.00  -770.75 2.16105 17'14
  248  296-0.1606(-0.15-0.15-0.16)  -862.39   84.28  0.00  -770.73 2.16209 17'14
  249  295-0.1459(-0.14-0.13-0.14)  -862.53   84.44  0.00  -770.71 2.16304 17'14
  250  295-0.1321(-0.12-0.12-0.13)  -862.66   84.60  0.00  -770.68 2.16389 17'14
      Msd:   0.071(C)   0.075(N)   0.000( )   0.000( )   0.000( )
  251  295-0.1192(-0.11-0.11-0.12)  -862.78   84.74  0.00  -770.66 2.16467 17'14
  252  295-0.1071(-0.10-0.10-0.10)  -862.89   84.88  0.00  -770.63 2.16536 17'14
  253  295-0.0959(-0.09-0.09-0.09)  -862.99   85.01  0.00  -770.61 2.16598 17'14
  254  295-0.0853(-0.08-0.08-0.08)  -863.08   85.13  0.00  -770.58 2.16654 17'14
  255  295-0.0755(-0.07-0.07-0.07)  -863.16   85.24  0.00  -770.55 2.16703 17'14
      Msd:   0.070(C)   0.074(N)   0.000( )   0.000( )   0.000( )
  256  295-0.0664(-0.06-0.06-0.06)  -863.24   85.35  0.00  -770.52 2.16746 17'14
  257  295-0.0578(-0.05-0.05-0.05)  -863.31   85.45  0.00  -770.49 2.16784 17'14
  258  295-0.0499(-0.04-0.04-0.04)  -863.37   85.54  0.00  -770.46 2.16816 17'14
  259  295-0.0425(-0.04-0.04-0.03)  -863.42   85.63  0.00  -770.42 2.16844 17'14
  260  295-0.0356(-0.03-0.03-0.02)  -863.47   85.71  0.00  -770.39 2.16867 17'14
      Msd:   0.070(C)   0.073(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  261  295-0.0293(-0.02-0.03-0.01)  -863.51   85.78  0.00  -770.36 2.16886 17'14
  262  295-0.0234(-0.02-0.02-0.01)  -863.55   85.85  0.00  -770.33 2.16902 17'14
  263  295-0.0179(-0.01-0.02-0.00)  -863.59   85.92  0.00  -770.30 2.16913 17'14
  264  295-0.0129(-0.01-0.01 0.01)  -863.62   85.98  0.00  -770.26 2.16922 17'14
  265  295-0.0082(-0.00-0.01 0.01)  -863.64   86.04  0.00  -770.23 2.16927 17'14
      Msd:   0.069(C)   0.072(N)   0.000( )   0.000( )   0.000( )
  266  295-0.0040( 0.00-0.01 0.02)  -863.66   86.09  0.00  -770.20 2.16930 17'14
  267  295-0.0001( 0.01-0.01 0.02)  -863.68   86.14  0.00  -770.17 2.16930 17'14
  268  295 0.0035( 0.01-0.00 0.03)  -863.69   86.18  0.00  -770.14 2.16928 17'14
  269  295 0.0067( 0.01-0.00 0.03)  -863.70   86.22  0.00  -770.11 2.16924 17'14
  270  295 0.0097( 0.02-0.00 0.04)  -863.71   86.26  0.00  -770.07 2.16919 17'14
      Msd:   0.069(C)   0.071(N)   0.000( )   0.000( )   0.000( )
  271  295 0.0124( 0.02 0.00 0.04)  -863.72   86.30  0.00  -770.04 2.16912 17'14
  272  295 0.0150( 0.02 0.00 0.04)  -863.72   86.33  0.00  -770.01 2.16904 17'14
  273  295 0.0173( 0.03 0.00 0.05)  -863.72   86.36  0.00  -769.98 2.16896 17'14
  274  295 0.0194( 0.03 0.00 0.05)  -863.73   86.39  0.00  -769.96 2.16887 17'14
  275  295 0.0214( 0.03 0.00 0.05)  -863.73   86.42  0.00  -769.93 2.16878 17'14
      Msd:   0.069(C)   0.070(N)   0.000( )   0.000( )   0.000( )
  276  296 0.0233( 0.03 0.01 0.06)  -863.72   86.44  0.00  -769.90 2.16868 17'14
  277  296 0.0250( 0.03 0.01 0.06)  -863.72   86.46  0.00  -769.87 2.16858 17'14
  278  296 0.0265( 0.04 0.01 0.06)  -863.72   86.48  0.00  -769.85 2.16848 17'14
  279  296 0.0280( 0.04 0.01 0.06)  -863.71   86.50  0.00  -769.82 2.16838 17'14
  280  296 0.0293( 0.04 0.01 0.06)  -863.71   86.52  0.00  -769.80 2.16828 17'14
      Msd:   0.068(C)   0.069(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  281  296 0.0304( 0.04 0.01 0.07)  -863.70   86.54  0.00  -769.77 2.16818 17'14
  282  296 0.0315( 0.04 0.01 0.07)  -863.70   86.55  0.00  -769.75 2.16809 17'14
  283  296 0.0326( 0.04 0.01 0.07)  -863.69   86.57  0.00  -769.73 2.16801 17'14
  284  296 0.0336( 0.05 0.01 0.07)  -863.69   86.58  0.00  -769.71 2.16794 17'14
  285  296 0.0347( 0.05 0.01 0.07)  -863.68   86.59  0.00  -769.69 2.16788 17'14
      Msd:   0.068(C)   0.068(N)   0.000( )   0.000( )   0.000( )
  286  296 0.0356( 0.05 0.01 0.07)  -863.68   86.61  0.00  -769.67 2.16782 17'14
  287  296 0.0366( 0.05 0.01 0.07)  -863.67   86.62  0.00  -769.65 2.16777 17'14
  288  296 0.0374( 0.05 0.01 0.07)  -863.67   86.63  0.00  -769.64 2.16773 17'14
  289  296 0.0382( 0.05 0.01 0.07)  -863.67   86.64  0.00  -769.62 2.16769 17'14
  290  297 0.0389( 0.06 0.01 0.07)  -863.66   86.65  0.00  -769.61 2.16765 17'14
      Msd:   0.067(C)   0.067(N)   0.000( )   0.000( )   0.000( )
  291  297 0.0395( 0.06 0.01 0.07)  -863.66   86.66  0.00  -769.59 2.16761 17'14
  292  297 0.0400( 0.06 0.01 0.07)  -863.66   86.66  0.00  -769.58 2.16758 17'14
  293  297 0.0403( 0.06 0.01 0.07)  -863.65   86.67  0.00  -769.57 2.16755 17'14
  294  297 0.0406( 0.06 0.02 0.07)  -863.65   86.67  0.00  -769.56 2.16751 17'14
  295  297 0.0407( 0.06 0.02 0.07)  -863.64   86.67  0.00  -769.55 2.16748 17'14
      Msd:   0.067(C)   0.066(N)   0.000( )   0.000( )   0.000( )
  296  297 0.0407( 0.06 0.02 0.06)  -863.63   86.67  0.00  -769.54 2.16745 17'14
  297  297 0.0405( 0.07 0.02 0.06)  -863.63   86.67  0.00  -769.54 2.16743 17'14
  298  297 0.0403( 0.07 0.02 0.06)  -863.62   86.66  0.00  -769.53 2.16740 17'14
  299  297 0.0399( 0.07 0.02 0.06)  -863.62   86.66  0.00  -769.53 2.16737 17'14
  300  297 0.0394( 0.07 0.02 0.05)  -863.61   86.65  0.00  -769.52 2.16735 17'14
      Msd:   0.067(C)   0.065(N)   0.000( )   0.000( )   0.000( )
--------------------------------------------------------------------------------
 Avr   298-0.1856(-0.17-0.19-0.17)  -861.73   84.06  0.00  -770.23 2.15442
 Std     2 0.2019( 0.20 0.19 0.21)     2.01    2.28  0.00     0.46 0.01548
--------------------------------------------------------------------------------
 Temperatures: Cl: 314 Na: 281
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  NaCl                                                          ====>>>
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  301  298 0.0388( 0.07 0.02 0.05)  -863.60   86.65  0.00  -769.52 2.16732 17'14
  302  298 0.0381( 0.07 0.02 0.05)  -863.60   86.64  0.00  -769.52 2.16730 17'14
  303  298 0.0373( 0.07 0.02 0.04)  -863.59   86.63  0.00  -769.52 2.16727 17'14
  304  298 0.0363( 0.07 0.02 0.04)  -863.58   86.61  0.00  -769.52 2.16725 17'14
  305  298 0.0353( 0.07 0.02 0.04)  -863.57   86.60  0.00  -769.53 2.16723 17'14
      Msd:   0.066(C)   0.064(N)   0.000( )   0.000( )   0.000( )
  306  298 0.0341( 0.07 0.02 0.03)  -863.56   86.59  0.00  -769.53 2.16720 17'14
  307  298 0.0329( 0.07 0.02 0.03)  -863.56   86.57  0.00  -769.53 2.16718 17'14
  308  298 0.0315( 0.07 0.02 0.03)  -863.55   86.56  0.00  -769.54 2.16715 17'14
  309  298 0.0300( 0.07 0.02 0.02)  -863.54   86.54  0.00  -769.55 2.16713 17'14
  310  298 0.0285( 0.07 0.02 0.02)  -863.53   86.52  0.00  -769.56 2.16710 17'14
      Msd:   0.065(C)   0.063(N)   0.000( )   0.000( )   0.000( )
  311  298 0.0269( 0.07 0.02 0.01)  -863.52   86.50  0.00  -769.57 2.16708 17'14
  312  299 0.0251( 0.07 0.02 0.01)  -863.51   86.48  0.00  -769.58 2.16705 17'14
  313  299 0.0233( 0.07 0.01 0.00)  -863.50   86.45  0.00  -769.59 2.16702 17'14
  314  299 0.0214( 0.07 0.01 0.00)  -863.49   86.43  0.00  -769.60 2.16699 17'14
  315  299 0.0195( 0.07 0.01-0.00)  -863.48   86.41  0.00  -769.61 2.16696 17'14
      Msd:   0.065(C)   0.063(N)   0.000( )   0.000( )   0.000( )
  316  299 0.0175( 0.07 0.01-0.01)  -863.47   86.38  0.00  -769.62 2.16694 17'14
  317  299 0.0155( 0.07 0.01-0.01)  -863.46   86.36  0.00  -769.64 2.16692 17'14
  318  299 0.0135( 0.07 0.01-0.02)  -863.45   86.33  0.00  -769.65 2.16690 17'14
  319  299 0.0115( 0.07 0.01-0.02)  -863.44   86.31  0.00  -769.67 2.16688 17'14
  320  299 0.0095( 0.07 0.01-0.02)  -863.44   86.28  0.00  -769.68 2.16686 17'14
      Msd:   0.064(C)   0.062(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  321  299 0.0076( 0.07 0.01-0.03)  -863.43   86.26  0.00  -769.70 2.16685 17'14
  322  299 0.0056( 0.06 0.00-0.03)  -863.42   86.24  0.00  -769.71 2.16684 17'14
  323  299 0.0037( 0.06 0.00-0.03)  -863.41   86.21  0.00  -769.73 2.16684 17'14
  324  299 0.0019( 0.06 0.00-0.03)  -863.41   86.19  0.00  -769.75 2.16684 17'14
  325  299 0.0001( 0.06 0.00-0.04)  -863.40   86.17  0.00  -769.76 2.16684 17'14
      Msd:   0.063(C)   0.061(N)   0.000( )   0.000( )   0.000( )
  326  299-0.0017( 0.06-0.00-0.04)  -863.39   86.14  0.00  -769.78 2.16684 17'14
  327  299-0.0034( 0.06-0.00-0.04)  -863.39   86.12  0.00  -769.80 2.16684 17'14
  328  299-0.0050( 0.06-0.00-0.04)  -863.38   86.10  0.00  -769.81 2.16685 17'14
  329  299-0.0065( 0.05-0.00-0.05)  -863.37   86.08  0.00  -769.83 2.16685 17'14
  330  299-0.0080( 0.05-0.01-0.05)  -863.37   86.06  0.00  -769.84 2.16686 17'14
      Msd:   0.062(C)   0.061(N)   0.000( )   0.000( )   0.000( )
  331  299-0.0094( 0.05-0.01-0.05)  -863.36   86.05  0.00  -769.85 2.16687 17'14
  332  299-0.0107( 0.05-0.01-0.05)  -863.36   86.03  0.00  -769.87 2.16688 17'14
  333  299-0.0120( 0.05-0.01-0.05)  -863.36   86.01  0.00  -769.88 2.16689 17'14
  334  299-0.0131( 0.04-0.01-0.05)  -863.35   86.00  0.00  -769.89 2.16690 17'14
  335  298-0.0142( 0.04-0.01-0.05)  -863.35   85.98  0.00  -769.90 2.16691 17'14
      Msd:   0.061(C)   0.061(N)   0.000( )   0.000( )   0.000( )
  336  298-0.0152( 0.04-0.01-0.05)  -863.34   85.97  0.00  -769.91 2.16692 17'14
  337  298-0.0160( 0.04-0.01-0.05)  -863.34   85.96  0.00  -769.92 2.16693 17'14
  338  298-0.0168( 0.04-0.01-0.05)  -863.33   85.95  0.00  -769.93 2.16694 17'14
  339  298-0.0175( 0.03-0.01-0.05)  -863.33   85.94  0.00  -769.94 2.16696 17'14
  340  298-0.0181( 0.03-0.01-0.05)  -863.33   85.93  0.00  -769.95 2.16697 17'14
      Msd:   0.060(C)   0.061(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  341  298-0.0186( 0.03-0.01-0.05)  -863.32   85.93  0.00  -769.95 2.16699 17'14
  342  298-0.0189( 0.03-0.01-0.05)  -863.32   85.92  0.00  -769.95 2.16701 17'14
  343  298-0.0192( 0.03-0.01-0.05)  -863.32   85.92  0.00  -769.96 2.16703 17'14
  344  298-0.0193( 0.02-0.01-0.05)  -863.32   85.92  0.00  -769.96 2.16705 17'14
  345  298-0.0193( 0.02-0.01-0.05)  -863.31   85.92  0.00  -769.96 2.16708 17'14
      Msd:   0.059(C)   0.061(N)   0.000( )   0.000( )   0.000( )
  346  298-0.0192( 0.02-0.01-0.05)  -863.31   85.92  0.00  -769.96 2.16711 17'14
  347  298-0.0190( 0.02-0.01-0.04)  -863.31   85.92  0.00  -769.96 2.16715 17'14
  348  297-0.0187( 0.02-0.01-0.04)  -863.31   85.92  0.00  -769.96 2.16720 17'14
  349  297-0.0182( 0.02-0.01-0.04)  -863.31   85.92  0.00  -769.96 2.16725 17'14
  350  297-0.0176( 0.01-0.01-0.04)  -863.31   85.93  0.00  -769.95 2.16730 17'14
      Msd:   0.058(C)   0.061(N)   0.000( )   0.000( )   0.000( )
  351  297-0.0170( 0.01-0.01-0.03)  -863.32   85.94  0.00  -769.95 2.16736 17'14
  352  297-0.0162( 0.01-0.01-0.03)  -863.32   85.94  0.00  -769.95 2.16743 17'14
  353  297-0.0153( 0.01-0.00-0.03)  -863.32   85.95  0.00  -769.94 2.16750 17'14
  354  297-0.0143( 0.01-0.00-0.03)  -863.33   85.96  0.00  -769.94 2.16758 17'14
  355  297-0.0132( 0.01-0.00-0.02)  -863.33   85.97  0.00  -769.93 2.16767 17'14
      Msd:   0.058(C)   0.061(N)   0.000( )   0.000( )   0.000( )
  356  297-0.0121( 0.01-0.00-0.02)  -863.34   85.98  0.00  -769.93 2.16775 17'14
  357  297-0.0110( 0.01 0.00-0.02)  -863.34   86.00  0.00  -769.92 2.16782 17'14
  358  297-0.0100( 0.01 0.00-0.01)  -863.35   86.00  0.00  -769.92 2.16789 17'14
  359  297-0.0091( 0.01 0.00-0.01)  -863.35   86.01  0.00  -769.91 2.16795 17'14
  360  297-0.0083( 0.00 0.00-0.01)  -863.35   86.02  0.00  -769.91 2.16800 17'14
      Msd:   0.057(C)   0.061(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  361  297-0.0075( 0.00 0.00-0.01)  -863.35   86.03  0.00  -769.90 2.16805 17'14
  362  297-0.0069( 0.00 0.00-0.00)  -863.35   86.03  0.00  -769.89 2.16809 17'14
  363  297-0.0063( 0.00 0.00-0.00)  -863.35   86.04  0.00  -769.89 2.16814 17'14
  364  297-0.0058( 0.00 0.00-0.00)  -863.35   86.04  0.00  -769.89 2.16817 17'14
  365  297-0.0053( 0.00 0.00 0.00)  -863.35   86.04  0.00  -769.88 2.16821 17'14
      Msd:   0.056(C)   0.061(N)   0.000( )   0.000( )   0.000( )
  366  297-0.0049( 0.00 0.00 0.00)  -863.35   86.04  0.00  -769.88 2.16824 17'14
  367  297-0.0046( 0.00 0.00 0.00)  -863.35   86.04  0.00  -769.87 2.16827 17'14
  368  297-0.0044( 0.00 0.00 0.01)  -863.34   86.04  0.00  -769.87 2.16829 17'14
  369  297-0.0042( 0.00 0.00 0.01)  -863.34   86.04  0.00  -769.87 2.16832 17'14
  370  297-0.0041( 0.00 0.00 0.01)  -863.34   86.04  0.00  -769.86 2.16834 17'14
      Msd:   0.056(C)   0.061(N)   0.000( )   0.000( )   0.000( )
  371  297-0.0041( 0.00 0.00 0.01)  -863.34   86.04  0.00  -769.86 2.16835 17'14
  372  298-0.0041( 0.00 0.00 0.01)  -863.33   86.04  0.00  -769.86 2.16837 17'14
  373  298-0.0042( 0.00-0.00 0.01)  -863.33   86.04  0.00  -769.86 2.16838 17'14
  374  298-0.0043( 0.00-0.00 0.01)  -863.32   86.03  0.00  -769.86 2.16839 17'14
  375  298-0.0045( 0.00-0.00 0.01)  -863.32   86.03  0.00  -769.86 2.16841 17'14
      Msd:   0.055(C)   0.060(N)   0.000( )   0.000( )   0.000( )
  376  298-0.0047( 0.00-0.00 0.01)  -863.32   86.02  0.00  -769.86 2.16842 17'14
  377  298-0.0049( 0.00-0.01 0.01)  -863.31   86.02  0.00  -769.86 2.16843 17'14
  378  298-0.0051( 0.00-0.01 0.01)  -863.31   86.01  0.00  -769.86 2.16844 17'14
  379  298-0.0054( 0.00-0.01 0.01)  -863.31   86.01  0.00  -769.86 2.16845 17'14
  380  298-0.0057( 0.00-0.01 0.01)  -863.30   86.00  0.00  -769.86 2.16847 17'14
      Msd:   0.055(C)   0.060(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  381  298-0.0060( 0.00-0.01 0.01)  -863.30   86.00  0.00  -769.86 2.16848 17'14
  382  298-0.0063( 0.00-0.01 0.01)  -863.30   85.99  0.00  -769.87 2.16849 17'14
  383  298-0.0067( 0.00-0.01 0.01)  -863.30   85.98  0.00  -769.87 2.16850 17'14
  384  298-0.0070( 0.00-0.02 0.01)  -863.30   85.98  0.00  -769.87 2.16852 17'14
  385  298-0.0074( 0.00-0.02 0.02)  -863.30   85.97  0.00  -769.88 2.16853 17'14
      Msd:   0.055(C)   0.060(N)   0.000( )   0.000( )   0.000( )
  386  298-0.0078( 0.00-0.02 0.02)  -863.30   85.97  0.00  -769.88 2.16854 17'14
  387  298-0.0082( 0.01-0.02 0.02)  -863.30   85.96  0.00  -769.89 2.16855 17'14
  388  298-0.0086( 0.01-0.02 0.02)  -863.30   85.95  0.00  -769.90 2.16857 17'14
  389  298-0.0090( 0.01-0.03 0.02)  -863.30   85.95  0.00  -769.90 2.16858 17'14
  390  298-0.0095( 0.01-0.03 0.02)  -863.30   85.94  0.00  -769.91 2.16859 17'14
      Msd:   0.055(C)   0.059(N)   0.000( )   0.000( )   0.000( )
  391  298-0.0099( 0.01-0.03 0.02)  -863.31   85.94  0.00  -769.92 2.16860 17'14
  392  298-0.0104( 0.01-0.03 0.02)  -863.31   85.93  0.00  -769.93 2.16861 17'14
  393  298-0.0108( 0.01-0.04 0.02)  -863.31   85.92  0.00  -769.93 2.16862 17'14
  394  298-0.0113( 0.01-0.04 0.02)  -863.32   85.92  0.00  -769.94 2.16863 17'14
  395  298-0.0118( 0.01-0.04 0.02)  -863.32   85.91  0.00  -769.95 2.16864 17'14
      Msd:   0.055(C)   0.059(N)   0.000( )   0.000( )   0.000( )
  396  298-0.0123( 0.01-0.04 0.02)  -863.32   85.90  0.00  -769.96 2.16865 17'14
  397  299-0.0128( 0.01-0.04 0.02)  -863.33   85.90  0.00  -769.97 2.16865 17'14
  398  299-0.0133( 0.01-0.05 0.02)  -863.34   85.89  0.00  -769.98 2.16866 17'14
  399  299-0.0138( 0.01-0.05 0.02)  -863.34   85.89  0.00  -770.00 2.16867 17'14
  400  299-0.0143( 0.01-0.05 0.02)  -863.35   85.88  0.00  -770.01 2.16868 17'14
      Msd:   0.055(C)   0.058(N)   0.000( )   0.000( )   0.000( )
--------------------------------------------------------------------------------
 Avr   298-0.0023( 0.03-0.01-0.01)  -863.37   86.10  0.00  -769.83 2.16765
 Std     0 0.0159( 0.03 0.02 0.03)     0.08    0.22  0.00     0.14 0.00070
--------------------------------------------------------------------------------
 Temperatures: Cl: 325 Na: 271
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  NaCl                                                          ====>>>
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  401  299-0.0148( 0.01-0.05 0.02)  -863.36   85.88  0.00  -770.02 2.16869 17'14
  402  299-0.0152( 0.01-0.05 0.02)  -863.36   85.87  0.00  -770.03 2.16870 17'14
  403  299-0.0157( 0.01-0.06 0.02)  -863.37   85.87  0.00  -770.04 2.16871 17'14
  404  299-0.0161( 0.01-0.06 0.02)  -863.38   85.86  0.00  -770.05 2.16872 17'14
  405  299-0.0165( 0.01-0.06 0.02)  -863.39   85.86  0.00  -770.07 2.16873 17'14
      Msd:   0.056(C)   0.058(N)   0.000( )   0.000( )   0.000( )
  406  299-0.0170( 0.01-0.06 0.02)  -863.40   85.86  0.00  -770.08 2.16874 17'14
  407  299-0.0174( 0.01-0.06 0.02)  -863.40   85.85  0.00  -770.09 2.16875 17'14
  408  299-0.0177( 0.01-0.06 0.02)  -863.41   85.85  0.00  -770.10 2.16877 17'14
  409  299-0.0181( 0.01-0.06 0.02)  -863.42   85.85  0.00  -770.11 2.16878 17'14
  410  299-0.0185( 0.01-0.06 0.02)  -863.43   85.84  0.00  -770.13 2.16879 17'14
      Msd:   0.056(C)   0.058(N)   0.000( )   0.000( )   0.000( )
  411  299-0.0188( 0.01-0.06 0.02)  -863.44   85.84  0.00  -770.14 2.16880 17'14
  412  299-0.0192( 0.01-0.07 0.02)  -863.45   85.84  0.00  -770.15 2.16882 17'14
  413  298-0.0195( 0.01-0.07 0.03)  -863.45   85.84  0.00  -770.16 2.16883 17'14
  414  298-0.0198( 0.00-0.07 0.03)  -863.46   85.84  0.00  -770.17 2.16884 17'14
  415  298-0.0201( 0.00-0.07 0.03)  -863.47   85.83  0.00  -770.18 2.16885 17'14
      Msd:   0.057(C)   0.057(N)   0.000( )   0.000( )   0.000( )
  416  298-0.0203( 0.00-0.07 0.03)  -863.48   85.83  0.00  -770.19 2.16887 17'14
  417  298-0.0206( 0.00-0.07 0.02)  -863.48   85.83  0.00  -770.20 2.16888 17'14
  418  298-0.0208( 0.00-0.07 0.02)  -863.49   85.83  0.00  -770.20 2.16890 17'14
  419  298-0.0210( 0.00-0.06 0.02)  -863.49   85.83  0.00  -770.21 2.16892 17'14
  420  298-0.0212(-0.00-0.06 0.02)  -863.50   85.83  0.00  -770.22 2.16893 17'14
      Msd:   0.057(C)   0.057(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  421  298-0.0213(-0.00-0.06 0.02)  -863.50   85.83  0.00  -770.22 2.16895 17'14
  422  298-0.0214(-0.00-0.06 0.02)  -863.50   85.83  0.00  -770.23 2.16897 17'14
  423  298-0.0215(-0.00-0.06 0.02)  -863.51   85.83  0.00  -770.23 2.16899 17'14
  424  298-0.0215(-0.00-0.06 0.02)  -863.51   85.83  0.00  -770.23 2.16901 17'14
  425  298-0.0215(-0.00-0.06 0.02)  -863.51   85.84  0.00  -770.23 2.16904 17'14
      Msd:   0.058(C)   0.057(N)   0.000( )   0.000( )   0.000( )
  426  298-0.0215(-0.00-0.06 0.02)  -863.51   85.84  0.00  -770.23 2.16906 17'14
  427  297-0.0214(-0.00-0.06 0.02)  -863.51   85.84  0.00  -770.23 2.16909 17'14
  428  297-0.0212(-0.01-0.05 0.02)  -863.50   85.84  0.00  -770.23 2.16911 17'14
  429  297-0.0211(-0.01-0.05 0.02)  -863.50   85.85  0.00  -770.23 2.16914 17'14
  430  297-0.0209(-0.01-0.05 0.02)  -863.50   85.85  0.00  -770.22 2.16917 17'14
      Msd:   0.059(C)   0.057(N)   0.000( )   0.000( )   0.000( )
  431  297-0.0206(-0.01-0.05 0.02)  -863.49   85.85  0.00  -770.22 2.16920 17'14
  432  297-0.0203(-0.01-0.05 0.01)  -863.49   85.86  0.00  -770.21 2.16923 17'14
  433  297-0.0199(-0.01-0.04 0.01)  -863.48   85.86  0.00  -770.20 2.16927 17'14
  434  297-0.0194(-0.01-0.04 0.01)  -863.47   85.87  0.00  -770.19 2.16931 17'14
  435  297-0.0188(-0.00-0.04 0.01)  -863.47   85.87  0.00  -770.18 2.16936 17'14
      Msd:   0.059(C)   0.058(N)   0.000( )   0.000( )   0.000( )
  436  297-0.0182(-0.00-0.04 0.01)  -863.46   85.88  0.00  -770.17 2.16941 17'14
  437  296-0.0174(-0.00-0.04 0.01)  -863.45   85.89  0.00  -770.16 2.16947 17'14
  438  296-0.0165(-0.00-0.03 0.01)  -863.45   85.90  0.00  -770.14 2.16954 17'14
  439  296-0.0155(-0.00-0.03 0.01)  -863.44   85.91  0.00  -770.13 2.16961 17'14
  440  296-0.0144(-0.00-0.03 0.01)  -863.43   85.92  0.00  -770.11 2.16969 17'14
      Msd:   0.060(C)   0.058(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  441  296-0.0132( 0.00-0.02 0.01)  -863.43   85.93  0.00  -770.09 2.16976 17'14
  442  296-0.0120( 0.00-0.02 0.01)  -863.42   85.95  0.00  -770.07 2.16983 17'14
  443  296-0.0109( 0.00-0.02 0.01)  -863.41   85.96  0.00  -770.05 2.16990 17'14
  444  296-0.0097( 0.00-0.02 0.01)  -863.40   85.97  0.00  -770.04 2.16996 17'14
  445  296-0.0086( 0.01-0.01 0.01)  -863.39   85.98  0.00  -770.01 2.17002 17'14
      Msd:   0.061(C)   0.059(N)   0.000( )   0.000( )   0.000( )
  446  296-0.0075( 0.01-0.01 0.01)  -863.38   85.99  0.00  -769.99 2.17007 17'14
  447  296-0.0064( 0.01-0.01 0.00)  -863.37   86.00  0.00  -769.97 2.17011 17'14
  448  296-0.0055( 0.01-0.01 0.00)  -863.36   86.01  0.00  -769.95 2.17014 17'14
  449  296-0.0046( 0.01-0.01 0.00)  -863.34   86.02  0.00  -769.93 2.17017 17'14
  450  296-0.0038( 0.01-0.00 0.00)  -863.33   86.03  0.00  -769.91 2.17019 17'14
      Msd:   0.062(C)   0.060(N)   0.000( )   0.000( )   0.000( )
  451  296-0.0030( 0.01-0.00 0.00)  -863.32   86.03  0.00  -769.89 2.17021 17'14
  452  296-0.0023( 0.01-0.00 0.00)  -863.30   86.04  0.00  -769.87 2.17022 17'14
  453  296-0.0015( 0.01 0.00 0.00)  -863.29   86.05  0.00  -769.85 2.17023 17'14
  454  296-0.0009( 0.02 0.00 0.00)  -863.28   86.05  0.00  -769.83 2.17023 17'14
  455  296-0.0002( 0.02 0.00 0.00)  -863.26   86.06  0.00  -769.81 2.17023 17'14
      Msd:   0.063(C)   0.060(N)   0.000( )   0.000( )   0.000( )
  456  296 0.0004( 0.02 0.00 0.00)  -863.25   86.06  0.00  -769.79 2.17023 17'14
  457  296 0.0010( 0.02 0.01 0.00)  -863.24   86.07  0.00  -769.77 2.17022 17'14
  458  296 0.0016( 0.02 0.01 0.00)  -863.23   86.07  0.00  -769.75 2.17022 17'14
  459  296 0.0022( 0.02 0.01 0.00)  -863.22   86.08  0.00  -769.74 2.17021 17'14
  460  297 0.0027( 0.02 0.01 0.00)  -863.21   86.08  0.00  -769.72 2.17019 17'14
      Msd:   0.064(C)   0.061(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  461  297 0.0032( 0.02 0.01 0.01)  -863.21   86.09  0.00  -769.71 2.17018 17'14
  462  297 0.0037( 0.02 0.01 0.01)  -863.20   86.09  0.00  -769.70 2.17016 17'14
  463  297 0.0042( 0.02 0.01 0.01)  -863.20   86.10  0.00  -769.68 2.17014 17'14
  464  297 0.0047( 0.02 0.01 0.01)  -863.19   86.10  0.00  -769.67 2.17012 17'14
  465  297 0.0052( 0.02 0.01 0.01)  -863.19   86.11  0.00  -769.66 2.17010 17'14
      Msd:   0.065(C)   0.062(N)   0.000( )   0.000( )   0.000( )
  466  297 0.0057( 0.02 0.01 0.01)  -863.19   86.11  0.00  -769.66 2.17007 17'14
  467  297 0.0062( 0.02 0.01 0.01)  -863.19   86.12  0.00  -769.65 2.17005 17'14
  468  297 0.0068( 0.02 0.01 0.01)  -863.19   86.12  0.00  -769.64 2.17003 17'14
  469  297 0.0073( 0.02 0.01 0.01)  -863.20   86.13  0.00  -769.64 2.17000 17'14
  470  297 0.0079( 0.02 0.02 0.01)  -863.20   86.14  0.00  -769.63 2.16998 17'14
      Msd:   0.066(C)   0.063(N)   0.000( )   0.000( )   0.000( )
  471  297 0.0084( 0.02 0.02 0.01)  -863.21   86.14  0.00  -769.63 2.16995 17'14
  472  298 0.0090( 0.02 0.02 0.02)  -863.21   86.15  0.00  -769.63 2.16992 17'14
  473  298 0.0096( 0.02 0.02 0.02)  -863.22   86.16  0.00  -769.63 2.16990 17'14
  474  298 0.0103( 0.02 0.02 0.02)  -863.23   86.17  0.00  -769.63 2.16987 17'14
  475  298 0.0109( 0.02 0.02 0.02)  -863.24   86.18  0.00  -769.63 2.16984 17'14
      Msd:   0.066(C)   0.065(N)   0.000( )   0.000( )   0.000( )
  476  298 0.0116( 0.01 0.02 0.02)  -863.25   86.18  0.00  -769.63 2.16981 17'14
  477  298 0.0124( 0.01 0.02 0.02)  -863.27   86.19  0.00  -769.63 2.16978 17'14
  478  298 0.0131( 0.01 0.02 0.03)  -863.28   86.21  0.00  -769.63 2.16976 17'14
  479  298 0.0139( 0.01 0.02 0.03)  -863.29   86.22  0.00  -769.64 2.16973 17'14
  480  298 0.0147( 0.01 0.03 0.03)  -863.31   86.23  0.00  -769.64 2.16970 17'14
      Msd:   0.067(C)   0.066(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  481  298 0.0156( 0.01 0.03 0.03)  -863.32   86.24  0.00  -769.64 2.16967 17'14
  482  298 0.0165( 0.01 0.03 0.03)  -863.33   86.25  0.00  -769.64 2.16964 17'14
  483  298 0.0175( 0.01 0.03 0.04)  -863.35   86.27  0.00  -769.64 2.16961 17'14
  484  298 0.0185( 0.01 0.03 0.04)  -863.36   86.28  0.00  -769.64 2.16958 17'14
  485  298 0.0195( 0.01 0.03 0.04)  -863.38   86.29  0.00  -769.65 2.16954 17'14
      Msd:   0.068(C)   0.067(N)   0.000( )   0.000( )   0.000( )
  486  298 0.0206( 0.01 0.03 0.04)  -863.39   86.31  0.00  -769.65 2.16952 17'14
  487  298 0.0218( 0.01 0.04 0.05)  -863.40   86.32  0.00  -769.65 2.16949 17'14
  488  297 0.0231( 0.01 0.04 0.05)  -863.42   86.34  0.00  -769.64 2.16947 17'14
  489  297 0.0244( 0.01 0.04 0.05)  -863.43   86.36  0.00  -769.64 2.16945 17'14
  490  297 0.0258( 0.01 0.04 0.05)  -863.44   86.38  0.00  -769.64 2.16943 17'14
      Msd:   0.068(C)   0.069(N)   0.000( )   0.000( )   0.000( )
  491  297 0.0273( 0.01 0.04 0.06)  -863.46   86.40  0.00  -769.63 2.16941 17'14
  492  297 0.0289( 0.01 0.04 0.06)  -863.47   86.42  0.00  -769.63 2.16939 17'14
  493  297 0.0305( 0.01 0.05 0.06)  -863.48   86.44  0.00  -769.62 2.16937 17'14
  494  297 0.0322( 0.01 0.05 0.06)  -863.49   86.46  0.00  -769.61 2.16935 17'14
  495  297 0.0339( 0.01 0.05 0.07)  -863.50   86.48  0.00  -769.60 2.16933 17'14
      Msd:   0.069(C)   0.070(N)   0.000( )   0.000( )   0.000( )
  496  297 0.0356( 0.01 0.05 0.07)  -863.50   86.50  0.00  -769.59 2.16930 17'14
  497  297 0.0374( 0.01 0.06 0.07)  -863.51   86.52  0.00  -769.58 2.16928 17'14
  498  296 0.0392( 0.01 0.06 0.08)  -863.51   86.55  0.00  -769.56 2.16925 17'14
  499  296 0.0411( 0.01 0.06 0.08)  -863.52   86.57  0.00  -769.55 2.16923 17'14
  500  296 0.0430( 0.01 0.06 0.08)  -863.52   86.59  0.00  -769.53 2.16920 17'14
      Msd:   0.070(C)   0.072(N)   0.000( )   0.000( )   0.000( )
--------------------------------------------------------------------------------
 Avr   297-0.0012( 0.01-0.01 0.02)  -863.38   86.05  0.00  -769.90 2.16951
 Std     0 0.0184( 0.01 0.04 0.02)     0.11    0.21  0.00     0.25 0.00050
--------------------------------------------------------------------------------
 Temperatures: Cl: 314 Na: 281
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  NaCl                                                          ====>>>
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  501  296 0.0449( 0.01 0.06 0.08)  -863.52   86.61  0.00  -769.51 2.16917 17'14
  502  296 0.0469( 0.01 0.07 0.09)  -863.52   86.64  0.00  -769.49 2.16914 17'14
  503  296 0.0489( 0.01 0.07 0.09)  -863.52   86.66  0.00  -769.47 2.16911 17'14
  504  296 0.0509( 0.01 0.07 0.09)  -863.52   86.69  0.00  -769.45 2.16908 17'14
  505  296 0.0529( 0.02 0.07 0.09)  -863.52   86.71  0.00  -769.42 2.16904 17'14
      Msd:   0.070(C)   0.073(N)   0.000( )   0.000( )   0.000( )
  506  296 0.0550( 0.02 0.07 0.09)  -863.52   86.73  0.00  -769.40 2.16901 17'14
  507  295 0.0570( 0.02 0.08 0.10)  -863.51   86.76  0.00  -769.37 2.16897 17'14
  508  295 0.0590( 0.02 0.08 0.10)  -863.51   86.78  0.00  -769.34 2.16893 17'14
  509  295 0.0610( 0.03 0.08 0.10)  -863.50   86.81  0.00  -769.31 2.16889 17'14
  510  295 0.0630( 0.03 0.08 0.10)  -863.50   86.83  0.00  -769.29 2.16885 17'14
      Msd:   0.071(C)   0.074(N)   0.000( )   0.000( )   0.000( )
  511  295 0.0650( 0.03 0.08 0.10)  -863.49   86.85  0.00  -769.26 2.16881 17'14
  512  295 0.0669( 0.03 0.09 0.11)  -863.48   86.88  0.00  -769.23 2.16876 17'14
  513  295 0.0687( 0.04 0.09 0.11)  -863.48   86.90  0.00  -769.20 2.16872 17'14
  514  295 0.0706( 0.04 0.09 0.11)  -863.47   86.92  0.00  -769.17 2.16867 17'14
  515  295 0.0723( 0.04 0.09 0.11)  -863.46   86.94  0.00  -769.14 2.16863 17'14
      Msd:   0.071(C)   0.075(N)   0.000( )   0.000( )   0.000( )
  516  295 0.0740( 0.04 0.09 0.11)  -863.46   86.96  0.00  -769.12 2.16858 17'14
  517  296 0.0756( 0.05 0.09 0.11)  -863.45   86.98  0.00  -769.09 2.16853 17'14
  518  296 0.0771( 0.05 0.09 0.11)  -863.44   86.99  0.00  -769.06 2.16848 17'14
  519  296 0.0785( 0.05 0.09 0.11)  -863.44   87.01  0.00  -769.04 2.16843 17'14
  520  296 0.0798( 0.05 0.09 0.11)  -863.43   87.03  0.00  -769.01 2.16838 17'14
      Msd:   0.072(C)   0.076(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  521  296 0.0810( 0.06 0.09 0.11)  -863.43   87.04  0.00  -768.99 2.16832 17'14
  522  296 0.0821( 0.06 0.09 0.11)  -863.43   87.05  0.00  -768.97 2.16827 17'14
  523  296 0.0830( 0.06 0.10 0.11)  -863.42   87.06  0.00  -768.95 2.16822 17'14
  524  296 0.0839( 0.07 0.10 0.11)  -863.42   87.07  0.00  -768.94 2.16816 17'14
  525  297 0.0846( 0.07 0.10 0.11)  -863.42   87.08  0.00  -768.92 2.16811 17'14
      Msd:   0.073(C)   0.077(N)   0.000( )   0.000( )   0.000( )
  526  297 0.0852( 0.07 0.10 0.11)  -863.42   87.09  0.00  -768.91 2.16805 17'14
  527  297 0.0858( 0.07 0.10 0.11)  -863.42   87.10  0.00  -768.90 2.16799 17'14
  528  297 0.0861( 0.07 0.10 0.11)  -863.42   87.10  0.00  -768.89 2.16793 17'14
  529  297 0.0863( 0.08 0.09 0.11)  -863.42   87.10  0.00  -768.89 2.16787 17'14
  530  297 0.0864( 0.08 0.09 0.11)  -863.42   87.11  0.00  -768.88 2.16780 17'14
      Msd:   0.073(C)   0.077(N)   0.000( )   0.000( )   0.000( )
  531  298 0.0863( 0.08 0.09 0.11)  -863.42   87.11  0.00  -768.88 2.16773 17'14
  532  298 0.0861( 0.08 0.09 0.11)  -863.43   87.10  0.00  -768.88 2.16765 17'14
  533  298 0.0858( 0.08 0.09 0.11)  -863.43   87.10  0.00  -768.88 2.16757 17'14
  534  298 0.0853( 0.08 0.09 0.11)  -863.43   87.10  0.00  -768.89 2.16749 17'14
  535  298 0.0847( 0.08 0.09 0.10)  -863.44   87.09  0.00  -768.89 2.16741 17'15
      Msd:   0.074(C)   0.077(N)   0.000( )   0.000( )   0.000( )
  536  298 0.0840( 0.08 0.09 0.10)  -863.44   87.09  0.00  -768.90 2.16732 17'15
  537  298 0.0832( 0.08 0.09 0.10)  -863.44   87.08  0.00  -768.91 2.16723 17'15
  538  298 0.0822( 0.08 0.09 0.10)  -863.45   87.07  0.00  -768.92 2.16713 17'15
  539  299 0.0812( 0.08 0.09 0.10)  -863.45   87.06  0.00  -768.93 2.16703 17'15
  540  299 0.0801( 0.08 0.08 0.09)  -863.45   87.05  0.00  -768.94 2.16692 17'15
      Msd:   0.074(C)   0.077(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  541  299 0.0787( 0.08 0.08 0.09)  -863.45   87.04  0.00  -768.95 2.16679 17'15
  542  299 0.0771( 0.08 0.08 0.09)  -863.45   87.02  0.00  -768.97 2.16664 17'15
  543  299 0.0753( 0.08 0.08 0.09)  -863.45   87.00  0.00  -768.98 2.16648 17'15
  544  299 0.0732( 0.08 0.08 0.08)  -863.44   86.98  0.00  -768.99 2.16629 17'15
  545  299 0.0708( 0.08 0.07 0.08)  -863.43   86.96  0.00  -769.01 2.16608 17'15
      Msd:   0.074(C)   0.077(N)   0.000( )   0.000( )   0.000( )
  546  299 0.0681( 0.08 0.07 0.08)  -863.41   86.93  0.00  -769.02 2.16585 17'15
  547  299 0.0651( 0.08 0.07 0.07)  -863.39   86.90  0.00  -769.03 2.16559 17'15
  548  299 0.0618( 0.07 0.06 0.07)  -863.37   86.87  0.00  -769.04 2.16531 17'15
  549  299 0.0581( 0.07 0.06 0.07)  -863.34   86.83  0.00  -769.05 2.16500 17'15
  550  299 0.0542( 0.07 0.06 0.06)  -863.31   86.79  0.00  -769.07 2.16467 17'15
      Msd:   0.074(C)   0.077(N)   0.000( )   0.000( )   0.000( )
  551  298 0.0499( 0.06 0.05 0.06)  -863.28   86.74  0.00  -769.08 2.16435 17'15
  552  298 0.0456( 0.06 0.05 0.05)  -863.24   86.70  0.00  -769.09 2.16405 17'15
  553  298 0.0417( 0.06 0.04 0.05)  -863.21   86.66  0.00  -769.09 2.16378 17'15
  554  298 0.0381( 0.05 0.04 0.05)  -863.17   86.62  0.00  -769.10 2.16354 17'15
  555  298 0.0347( 0.05 0.04 0.04)  -863.14   86.59  0.00  -769.11 2.16331 17'15
      Msd:   0.075(C)   0.077(N)   0.000( )   0.000( )   0.000( )
  556  298 0.0316( 0.05 0.03 0.04)  -863.11   86.55  0.00  -769.11 2.16311 17'15
  557  298 0.0286( 0.04 0.03 0.04)  -863.08   86.52  0.00  -769.12 2.16292 17'15
  558  298 0.0259( 0.04 0.03 0.03)  -863.05   86.49  0.00  -769.12 2.16276 17'15
  559  298 0.0233( 0.04 0.02 0.03)  -863.03   86.46  0.00  -769.12 2.16260 17'15
  560  298 0.0208( 0.04 0.02 0.03)  -863.00   86.44  0.00  -769.12 2.16247 17'15
      Msd:   0.074(C)   0.077(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  561  298 0.0185( 0.04 0.02 0.03)  -862.97   86.41  0.00  -769.12 2.16235 17'15
  562  298 0.0164( 0.04 0.01 0.02)  -862.94   86.39  0.00  -769.12 2.16225 17'15
  563  298 0.0143( 0.03 0.01 0.02)  -862.92   86.36  0.00  -769.12 2.16215 17'15
  564  297 0.0123( 0.03 0.01 0.02)  -862.89   86.34  0.00  -769.12 2.16207 17'15
  565  297 0.0104( 0.03 0.01 0.02)  -862.86   86.32  0.00  -769.12 2.16201 17'15
      Msd:   0.074(C)   0.077(N)   0.000( )   0.000( )   0.000( )
  566  297 0.0086( 0.03 0.00 0.02)  -862.84   86.29  0.00  -769.11 2.16195 17'15
  567  297 0.0068( 0.03 0.00 0.01)  -862.81   86.27  0.00  -769.11 2.16191 17'15
  568  297 0.0051( 0.03-0.00 0.01)  -862.78   86.25  0.00  -769.11 2.16188 17'15
  569  297 0.0034( 0.03-0.00 0.01)  -862.76   86.23  0.00  -769.10 2.16185 17'15
  570  297 0.0018( 0.03-0.01 0.01)  -862.73   86.21  0.00  -769.10 2.16184 17'15
      Msd:   0.074(C)   0.077(N)   0.000( )   0.000( )   0.000( )
  571  297 0.0002( 0.02-0.01 0.01)  -862.70   86.18  0.00  -769.09 2.16184 17'15
  572  297-0.0014( 0.02-0.01 0.01)  -862.68   86.16  0.00  -769.09 2.16185 17'15
  573  297-0.0030( 0.02-0.01 0.00)  -862.65   86.14  0.00  -769.08 2.16187 17'15
  574  297-0.0045( 0.02-0.02 0.00)  -862.63   86.12  0.00  -769.08 2.16190 17'15
  575  297-0.0061( 0.02-0.02 0.00)  -862.60   86.10  0.00  -769.07 2.16193 17'15
      Msd:   0.073(C)   0.077(N)   0.000( )   0.000( )   0.000( )
  576  297-0.0076( 0.02-0.02-0.00)  -862.58   86.07  0.00  -769.07 2.16197 17'15
  577  297-0.0092( 0.02-0.02-0.00)  -862.55   86.05  0.00  -769.07 2.16201 17'15
  578  298-0.0109( 0.02-0.02-0.00)  -862.53   86.03  0.00  -769.07 2.16206 17'15
  579  298-0.0125( 0.02-0.03-0.01)  -862.51   86.00  0.00  -769.07 2.16212 17'15
  580  298-0.0142( 0.02-0.03-0.01)  -862.48   85.98  0.00  -769.07 2.16218 17'15
      Msd:   0.073(C)   0.077(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  581  298-0.0160( 0.02-0.03-0.01)  -862.46   85.95  0.00  -769.07 2.16224 17'15
  582  298-0.0177( 0.01-0.03-0.01)  -862.44   85.93  0.00  -769.07 2.16231 17'15
  583  298-0.0196( 0.01-0.04-0.01)  -862.42   85.90  0.00  -769.07 2.16238 17'15
  584  298-0.0214( 0.01-0.04-0.02)  -862.40   85.88  0.00  -769.08 2.16246 17'15
  585  298-0.0233( 0.01-0.04-0.02)  -862.38   85.85  0.00  -769.08 2.16253 17'15
      Msd:   0.072(C)   0.077(N)   0.000( )   0.000( )   0.000( )
  586  298-0.0253( 0.01-0.04-0.02)  -862.36   85.82  0.00  -769.09 2.16261 17'15
  587  298-0.0273( 0.01-0.04-0.02)  -862.34   85.79  0.00  -769.10 2.16269 17'15
  588  298-0.0294( 0.01-0.05-0.02)  -862.33   85.76  0.00  -769.11 2.16275 17'15
  589  299-0.0317( 0.00-0.05-0.03)  -862.31   85.73  0.00  -769.12 2.16282 17'15
  590  299-0.0340( 0.00-0.05-0.03)  -862.29   85.70  0.00  -769.13 2.16288 17'15
      Msd:   0.071(C)   0.077(N)   0.000( )   0.000( )   0.000( )
  591  299-0.0365(-0.00-0.05-0.03)  -862.27   85.67  0.00  -769.14 2.16293 17'15
  592  299-0.0391(-0.00-0.06-0.04)  -862.26   85.63  0.00  -769.16 2.16298 17'15
  593  299-0.0417(-0.00-0.06-0.04)  -862.24   85.60  0.00  -769.17 2.16303 17'15
  594  299-0.0445(-0.01-0.06-0.04)  -862.22   85.56  0.00  -769.19 2.16307 17'15
  595  299-0.0473(-0.01-0.06-0.05)  -862.21   85.53  0.00  -769.21 2.16311 17'15
      Msd:   0.071(C)   0.077(N)   0.000( )   0.000( )   0.000( )
  596  299-0.0502(-0.01-0.07-0.05)  -862.19   85.49  0.00  -769.22 2.16315 17'15
  597  299-0.0531(-0.01-0.07-0.05)  -862.17   85.45  0.00  -769.24 2.16318 17'15
  598  299-0.0561(-0.02-0.07-0.06)  -862.16   85.41  0.00  -769.27 2.16322 17'15
  599  299-0.0591(-0.02-0.07-0.06)  -862.15   85.38  0.00  -769.29 2.16326 17'15
  600  299-0.0620(-0.02-0.08-0.06)  -862.13   85.34  0.00  -769.31 2.16330 17'15
      Msd:   0.070(C)   0.076(N)   0.000( )   0.000( )   0.000( )
--------------------------------------------------------------------------------
 Avr   298 0.0327( 0.04 0.03 0.05)  -863.04   86.51  0.00  -769.10 2.16519
 Std     1 0.0459( 0.03 0.06 0.06)     0.48    0.53  0.00     0.14 0.00275
--------------------------------------------------------------------------------
 Temperatures: Cl: 318 Na: 277
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  NaCl                                                          ====>>>
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  601  300-0.0649(-0.03-0.08-0.07)  -862.12   85.30  0.00  -769.33 2.16334 17'15
  602  300-0.0678(-0.03-0.08-0.07)  -862.11   85.27  0.00  -769.36 2.16339 17'15
  603  300-0.0706(-0.03-0.08-0.07)  -862.10   85.23  0.00  -769.38 2.16343 17'15
  604  300-0.0734(-0.03-0.09-0.08)  -862.09   85.20  0.00  -769.41 2.16348 17'15
  605  300-0.0761(-0.04-0.09-0.08)  -862.08   85.16  0.00  -769.43 2.16353 17'15
      Msd:   0.069(C)   0.076(N)   0.000( )   0.000( )   0.000( )
  606  300-0.0787(-0.04-0.09-0.08)  -862.08   85.13  0.00  -769.46 2.16358 17'15
  607  300-0.0813(-0.04-0.09-0.09)  -862.07   85.10  0.00  -769.48 2.16363 17'15
  608  300-0.0838(-0.04-0.09-0.09)  -862.06   85.07  0.00  -769.51 2.16369 17'15
  609  300-0.0862(-0.05-0.10-0.09)  -862.06   85.04  0.00  -769.54 2.16374 17'15
  610  300-0.0885(-0.05-0.10-0.09)  -862.06   85.01  0.00  -769.56 2.16380 17'15
      Msd:   0.069(C)   0.075(N)   0.000( )   0.000( )   0.000( )
  611  300-0.0908(-0.05-0.10-0.10)  -862.05   84.98  0.00  -769.59 2.16386 17'15
  612  300-0.0929(-0.06-0.10-0.10)  -862.05   84.95  0.00  -769.61 2.16392 17'15
  613  300-0.0949(-0.06-0.10-0.10)  -862.05   84.93  0.00  -769.64 2.16398 17'15
  614  300-0.0968(-0.06-0.10-0.10)  -862.05   84.90  0.00  -769.66 2.16404 17'15
  615  299-0.0986(-0.06-0.11-0.11)  -862.05   84.88  0.00  -769.68 2.16411 17'15
      Msd:   0.068(C)   0.075(N)   0.000( )   0.000( )   0.000( )
  616  299-0.1002(-0.06-0.11-0.11)  -862.05   84.86  0.00  -769.71 2.16417 17'15
  617  299-0.1017(-0.07-0.11-0.11)  -862.05   84.84  0.00  -769.73 2.16424 17'15
  618  299-0.1031(-0.07-0.11-0.11)  -862.05   84.82  0.00  -769.75 2.16431 17'15
  619  299-0.1043(-0.07-0.11-0.11)  -862.05   84.81  0.00  -769.77 2.16437 17'15
  620  299-0.1054(-0.07-0.11-0.11)  -862.06   84.79  0.00  -769.79 2.16444 17'15
      Msd:   0.068(C)   0.074(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  621  299-0.1063(-0.07-0.11-0.11)  -862.06   84.78  0.00  -769.81 2.16451 17'15
  622  299-0.1071(-0.07-0.11-0.11)  -862.07   84.77  0.00  -769.83 2.16458 17'15
  623  299-0.1077(-0.08-0.11-0.11)  -862.07   84.76  0.00  -769.84 2.16465 17'15
  624  299-0.1082(-0.08-0.11-0.11)  -862.08   84.76  0.00  -769.86 2.16472 17'15
  625  299-0.1085(-0.08-0.11-0.11)  -862.08   84.75  0.00  -769.87 2.16479 17'15
      Msd:   0.067(C)   0.074(N)   0.000( )   0.000( )   0.000( )
  626  299-0.1087(-0.08-0.11-0.11)  -862.09   84.75  0.00  -769.88 2.16486 17'15
  627  298-0.1087(-0.08-0.11-0.11)  -862.10   84.75  0.00  -769.89 2.16494 17'15
  628  298-0.1085(-0.08-0.11-0.11)  -862.11   84.75  0.00  -769.90 2.16502 17'15
  629  298-0.1081(-0.08-0.11-0.11)  -862.12   84.76  0.00  -769.91 2.16510 17'15
  630  298-0.1076(-0.08-0.11-0.11)  -862.13   84.76  0.00  -769.92 2.16518 17'15
      Msd:   0.067(C)   0.074(N)   0.000( )   0.000( )   0.000( )
  631  298-0.1068(-0.08-0.10-0.11)  -862.14   84.77  0.00  -769.93 2.16527 17'15
  632  298-0.1059(-0.08-0.10-0.11)  -862.16   84.78  0.00  -769.93 2.16537 17'15
  633  298-0.1047(-0.08-0.10-0.11)  -862.18   84.80  0.00  -769.94 2.16549 17'15
  634  298-0.1032(-0.08-0.10-0.11)  -862.20   84.81  0.00  -769.94 2.16562 17'15
  635  298-0.1014(-0.08-0.10-0.11)  -862.22   84.83  0.00  -769.94 2.16577 17'15
      Msd:   0.066(C)   0.073(N)   0.000( )   0.000( )   0.000( )
  636  298-0.0993(-0.08-0.09-0.10)  -862.24   84.86  0.00  -769.95 2.16594 17'15
  637  298-0.0968(-0.07-0.09-0.10)  -862.27   84.89  0.00  -769.95 2.16614 17'15
  638  298-0.0939(-0.07-0.09-0.10)  -862.31   84.92  0.00  -769.95 2.16635 17'15
  639  298-0.0907(-0.07-0.08-0.10)  -862.34   84.96  0.00  -769.95 2.16660 17'15
  640  298-0.0870(-0.07-0.08-0.09)  -862.38   85.00  0.00  -769.95 2.16687 17'15
      Msd:   0.066(C)   0.073(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  641  298-0.0830(-0.06-0.07-0.09)  -862.43   85.05  0.00  -769.95 2.16716 17'15
  642  298-0.0785(-0.06-0.07-0.08)  -862.48   85.10  0.00  -769.95 2.16749 17'15
  643  298-0.0737(-0.06-0.06-0.08)  -862.53   85.15  0.00  -769.95 2.16785 17'15
  644  297-0.0684(-0.05-0.06-0.07)  -862.59   85.21  0.00  -769.95 2.16823 17'15
  645  297-0.0628(-0.05-0.05-0.07)  -862.65   85.27  0.00  -769.95 2.16863 17'15
      Msd:   0.066(C)   0.073(N)   0.000( )   0.000( )   0.000( )
  646  297-0.0569(-0.04-0.04-0.06)  -862.72   85.34  0.00  -769.95 2.16900 17'15
  647  297-0.0513(-0.04-0.04-0.06)  -862.78   85.40  0.00  -769.95 2.16934 17'15
  648  297-0.0461(-0.03-0.03-0.05)  -862.84   85.46  0.00  -769.94 2.16964 17'15
  649  297-0.0413(-0.03-0.03-0.05)  -862.89   85.52  0.00  -769.94 2.16991 17'15
  650  297-0.0368(-0.02-0.02-0.04)  -862.94   85.57  0.00  -769.94 2.17015 17'15
      Msd:   0.066(C)   0.073(N)   0.000( )   0.000( )   0.000( )
  651  297-0.0326(-0.02-0.02-0.04)  -862.99   85.62  0.00  -769.94 2.17036 17'15
  652  297-0.0288(-0.02-0.01-0.03)  -863.03   85.66  0.00  -769.94 2.17055 17'15
  653  297-0.0253(-0.01-0.01-0.03)  -863.07   85.70  0.00  -769.94 2.17071 17'15
  654  297-0.0220(-0.01-0.01-0.03)  -863.10   85.74  0.00  -769.93 2.17086 17'15
  655  297-0.0189(-0.01-0.00-0.03)  -863.14   85.77  0.00  -769.93 2.17098 17'15
      Msd:   0.066(C)   0.073(N)   0.000( )   0.000( )   0.000( )
  656  297-0.0161(-0.00 0.00-0.02)  -863.17   85.81  0.00  -769.93 2.17109 17'15
  657  297-0.0136( 0.00 0.00-0.02)  -863.19   85.84  0.00  -769.93 2.17118 17'15
  658  297-0.0112( 0.00 0.01-0.02)  -863.22   85.86  0.00  -769.92 2.17125 17'15
  659  297-0.0090( 0.01 0.01-0.02)  -863.24   85.89  0.00  -769.92 2.17131 17'15
  660  297-0.0070( 0.01 0.01-0.02)  -863.26   85.91  0.00  -769.92 2.17135 17'15
      Msd:   0.066(C)   0.073(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  661  297-0.0052( 0.01 0.01-0.01)  -863.28   85.94  0.00  -769.91 2.17138 17'15
  662  297-0.0035( 0.01 0.01-0.01)  -863.29   85.96  0.00  -769.91 2.17140 17'15
  663  297-0.0020( 0.02 0.01-0.01)  -863.30   85.97  0.00  -769.90 2.17142 17'15
  664  297-0.0005( 0.02 0.01-0.01)  -863.32   85.99  0.00  -769.90 2.17142 17'15
  665  297 0.0008( 0.02 0.02-0.01)  -863.32   86.01  0.00  -769.89 2.17142 17'15
      Msd:   0.066(C)   0.073(N)   0.000( )   0.000( )   0.000( )
  666  297 0.0020( 0.02 0.02-0.01)  -863.33   86.02  0.00  -769.89 2.17141 17'15
  667  297 0.0031( 0.02 0.02-0.01)  -863.34   86.04  0.00  -769.88 2.17139 17'15
  668  297 0.0042( 0.03 0.02-0.01)  -863.35   86.05  0.00  -769.87 2.17138 17'15
  669  297 0.0052( 0.03 0.02-0.01)  -863.35   86.06  0.00  -769.87 2.17136 17'15
  670  297 0.0062( 0.03 0.02-0.01)  -863.35   86.07  0.00  -769.86 2.17133 17'15
      Msd:   0.067(C)   0.072(N)   0.000( )   0.000( )   0.000( )
  671  297 0.0071( 0.03 0.02-0.01)  -863.35   86.09  0.00  -769.85 2.17131 17'15
  672  297 0.0079( 0.03 0.02-0.01)  -863.36   86.10  0.00  -769.84 2.17128 17'15
  673  297 0.0088( 0.04 0.02-0.01)  -863.36   86.11  0.00  -769.83 2.17125 17'15
  674  297 0.0095( 0.04 0.02-0.01)  -863.36   86.12  0.00  -769.82 2.17122 17'15
  675  297 0.0103( 0.04 0.02-0.01)  -863.35   86.13  0.00  -769.81 2.17120 17'15
      Msd:   0.067(C)   0.072(N)   0.000( )   0.000( )   0.000( )
  676  297 0.0111( 0.04 0.02-0.01)  -863.35   86.13  0.00  -769.80 2.17118 17'15
  677  297 0.0119( 0.04 0.02-0.01)  -863.35   86.14  0.00  -769.79 2.17115 17'15
  678  297 0.0126( 0.04 0.03-0.01)  -863.35   86.15  0.00  -769.78 2.17113 17'15
  679  297 0.0134( 0.05 0.03-0.01)  -863.35   86.16  0.00  -769.77 2.17112 17'15
  680  297 0.0142( 0.05 0.03-0.01)  -863.35   86.17  0.00  -769.76 2.17110 17'15
      Msd:   0.068(C)   0.071(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  681  297 0.0149( 0.05 0.03-0.01)  -863.34   86.18  0.00  -769.75 2.17108 17'15
  682  297 0.0156( 0.05 0.03-0.01)  -863.34   86.19  0.00  -769.74 2.17107 17'15
  683  297 0.0163( 0.05 0.03-0.01)  -863.34   86.20  0.00  -769.73 2.17106 17'15
  684  297 0.0170( 0.05 0.03-0.01)  -863.34   86.20  0.00  -769.72 2.17105 17'15
  685  297 0.0177( 0.06 0.03-0.01)  -863.33   86.21  0.00  -769.71 2.17104 17'15
      Msd:   0.068(C)   0.071(N)   0.000( )   0.000( )   0.000( )
  686  297 0.0183( 0.06 0.03-0.01)  -863.33   86.22  0.00  -769.70 2.17102 17'15
  687  297 0.0189( 0.06 0.03-0.01)  -863.33   86.23  0.00  -769.69 2.17101 17'15
  688  297 0.0195( 0.06 0.03-0.01)  -863.33   86.23  0.00  -769.68 2.17100 17'15
  689  297 0.0200( 0.06 0.03-0.01)  -863.32   86.24  0.00  -769.67 2.17099 17'15
  690  297 0.0205( 0.06 0.03-0.01)  -863.32   86.24  0.00  -769.66 2.17097 17'15
      Msd:   0.069(C)   0.071(N)   0.000( )   0.000( )   0.000( )
  691  297 0.0209( 0.06 0.03-0.01)  -863.32   86.25  0.00  -769.65 2.17096 17'15
  692  297 0.0213( 0.07 0.04-0.01)  -863.32   86.25  0.00  -769.64 2.17095 17'15
  693  297 0.0217( 0.07 0.04-0.01)  -863.31   86.26  0.00  -769.63 2.17093 17'15
  694  297 0.0220( 0.07 0.04-0.02)  -863.31   86.26  0.00  -769.63 2.17092 17'15
  695  297 0.0223( 0.07 0.04-0.02)  -863.31   86.27  0.00  -769.62 2.17090 17'15
      Msd:   0.070(C)   0.070(N)   0.000( )   0.000( )   0.000( )
  696  297 0.0226( 0.07 0.04-0.02)  -863.31   86.27  0.00  -769.61 2.17089 17'15
  697  297 0.0229( 0.07 0.04-0.02)  -863.31   86.27  0.00  -769.61 2.17087 17'15
  698  297 0.0232( 0.07 0.04-0.02)  -863.31   86.28  0.00  -769.60 2.17086 17'15
  699  297 0.0235( 0.07 0.04-0.02)  -863.31   86.28  0.00  -769.60 2.17084 17'15
  700  297 0.0237( 0.07 0.04-0.02)  -863.31   86.29  0.00  -769.59 2.17083 17'15
      Msd:   0.070(C)   0.070(N)   0.000( )   0.000( )   0.000( )
--------------------------------------------------------------------------------
 Avr   298-0.0409(-0.01-0.03-0.05)  -862.76   85.54  0.00  -769.78 2.16827
 Std     0 0.0507( 0.05 0.06 0.04)     0.56    0.58  0.00     0.16 0.00313
--------------------------------------------------------------------------------
 Temperatures: Cl: 306 Na: 290
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  NaCl                                                          ====>>>
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  701  297 0.0240( 0.07 0.04-0.02)  -863.31   86.29  0.00  -769.59 2.17081 17'15
  702  297 0.0242( 0.07 0.04-0.02)  -863.31   86.29  0.00  -769.58 2.17080 17'15
  703  297 0.0245( 0.07 0.04-0.02)  -863.31   86.30  0.00  -769.58 2.17078 17'15
  704  297 0.0248( 0.07 0.04-0.02)  -863.31   86.30  0.00  -769.58 2.17076 17'15
  705  297 0.0252( 0.07 0.05-0.02)  -863.31   86.31  0.00  -769.57 2.17075 17'15
      Msd:   0.070(C)   0.070(N)   0.000( )   0.000( )   0.000( )
  706  297 0.0255( 0.07 0.05-0.02)  -863.31   86.31  0.00  -769.57 2.17073 17'15
  707  297 0.0259( 0.07 0.05-0.02)  -863.31   86.32  0.00  -769.56 2.17071 17'15
  708  297 0.0263( 0.07 0.05-0.02)  -863.32   86.33  0.00  -769.56 2.17070 17'15
  709  297 0.0268( 0.07 0.05-0.02)  -863.32   86.33  0.00  -769.56 2.17068 17'15
  710  297 0.0273( 0.07 0.05-0.02)  -863.32   86.34  0.00  -769.55 2.17066 17'15
      Msd:   0.071(C)   0.070(N)   0.000( )   0.000( )   0.000( )
  711  297 0.0279( 0.07 0.05-0.02)  -863.32   86.35  0.00  -769.55 2.17064 17'15
  712  297 0.0286( 0.07 0.05-0.02)  -863.33   86.36  0.00  -769.54 2.17063 17'15
  713  297 0.0292( 0.07 0.05-0.02)  -863.33   86.37  0.00  -769.53 2.17061 17'15
  714  297 0.0300( 0.07 0.06-0.02)  -863.33   86.38  0.00  -769.53 2.17059 17'15
  715  297 0.0308( 0.07 0.06-0.02)  -863.33   86.40  0.00  -769.52 2.17057 17'15
      Msd:   0.071(C)   0.071(N)   0.000( )   0.000( )   0.000( )
  716  297 0.0317( 0.08 0.06-0.02)  -863.34   86.41  0.00  -769.51 2.17055 17'15
  717  297 0.0326( 0.08 0.06-0.01)  -863.34   86.42  0.00  -769.50 2.17053 17'15
  718  297 0.0336( 0.08 0.06-0.01)  -863.34   86.44  0.00  -769.49 2.17050 17'15
  719  297 0.0347( 0.08 0.06-0.01)  -863.35   86.45  0.00  -769.48 2.17048 17'15
  720  297 0.0358( 0.08 0.07-0.01)  -863.35   86.47  0.00  -769.47 2.17046 17'15
      Msd:   0.071(C)   0.071(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  721  297 0.0370( 0.08 0.07-0.01)  -863.35   86.48  0.00  -769.46 2.17043 17'15
  722  296 0.0382( 0.08 0.07-0.01)  -863.35   86.50  0.00  -769.44 2.17041 17'15
  723  296 0.0395( 0.08 0.07-0.01)  -863.35   86.52  0.00  -769.43 2.17038 17'15
  724  296 0.0408( 0.08 0.07-0.01)  -863.35   86.54  0.00  -769.41 2.17036 17'15
  725  296 0.0422( 0.08 0.08-0.00)  -863.35   86.55  0.00  -769.40 2.17033 17'15
      Msd:   0.070(C)   0.072(N)   0.000( )   0.000( )   0.000( )
  726  296 0.0436( 0.08 0.08-0.00)  -863.35   86.57  0.00  -769.38 2.17030 17'15
  727  296 0.0450( 0.08 0.08-0.00)  -863.35   86.59  0.00  -769.36 2.17027 17'15
  728  296 0.0465( 0.08 0.08 0.00)  -863.35   86.61  0.00  -769.34 2.17024 17'15
  729  296 0.0479( 0.08 0.08 0.00)  -863.35   86.63  0.00  -769.33 2.17021 17'15
  730  296 0.0494( 0.08 0.09 0.01)  -863.35   86.65  0.00  -769.31 2.17018 17'15
      Msd:   0.070(C)   0.072(N)   0.000( )   0.000( )   0.000( )
  731  296 0.0509( 0.08 0.09 0.01)  -863.35   86.67  0.00  -769.29 2.17015 17'15
  732  296 0.0524( 0.08 0.09 0.01)  -863.35   86.69  0.00  -769.27 2.17011 17'15
  733  296 0.0539( 0.08 0.09 0.01)  -863.35   86.71  0.00  -769.25 2.17008 17'15
  734  296 0.0554( 0.08 0.10 0.01)  -863.34   86.73  0.00  -769.22 2.17004 17'15
  735  296 0.0569( 0.08 0.10 0.02)  -863.34   86.74  0.00  -769.20 2.17000 17'15
      Msd:   0.070(C)   0.073(N)   0.000( )   0.000( )   0.000( )
  736  296 0.0584( 0.08 0.10 0.02)  -863.34   86.76  0.00  -769.18 2.16997 17'15
  737  296 0.0598( 0.08 0.10 0.02)  -863.34   86.78  0.00  -769.16 2.16993 17'15
  738  296 0.0612( 0.08 0.11 0.02)  -863.33   86.79  0.00  -769.14 2.16989 17'15
  739  296 0.0625( 0.08 0.11 0.02)  -863.33   86.81  0.00  -769.12 2.16985 17'15
  740  296 0.0638( 0.08 0.11 0.03)  -863.33   86.83  0.00  -769.10 2.16981 17'15
      Msd:   0.069(C)   0.074(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  741  296 0.0651( 0.08 0.11 0.03)  -863.32   86.84  0.00  -769.08 2.16976 17'15
  742  296 0.0663( 0.08 0.12 0.03)  -863.32   86.85  0.00  -769.06 2.16972 17'15
  743  296 0.0675( 0.07 0.12 0.03)  -863.31   86.87  0.00  -769.04 2.16968 17'15
  744  296 0.0686( 0.07 0.12 0.03)  -863.31   86.88  0.00  -769.03 2.16963 17'15
  745  296 0.0696( 0.07 0.12 0.04)  -863.31   86.89  0.00  -769.01 2.16959 17'15
      Msd:   0.068(C)   0.074(N)   0.000( )   0.000( )   0.000( )
  746  296 0.0706( 0.07 0.12 0.04)  -863.30   86.90  0.00  -769.00 2.16954 17'15
  747  297 0.0715( 0.07 0.13 0.04)  -863.30   86.91  0.00  -768.98 2.16949 17'15
  748  297 0.0723( 0.07 0.13 0.04)  -863.30   86.92  0.00  -768.97 2.16945 17'15
  749  297 0.0731( 0.07 0.13 0.04)  -863.29   86.93  0.00  -768.95 2.16940 17'15
  750  297 0.0738( 0.07 0.13 0.05)  -863.29   86.93  0.00  -768.94 2.16935 17'15
      Msd:   0.067(C)   0.075(N)   0.000( )   0.000( )   0.000( )
  751  297 0.0744( 0.07 0.13 0.05)  -863.29   86.94  0.00  -768.93 2.16930 17'15
  752  297 0.0750( 0.07 0.13 0.05)  -863.29   86.94  0.00  -768.92 2.16925 17'15
  753  297 0.0755( 0.07 0.13 0.05)  -863.29   86.95  0.00  -768.92 2.16921 17'15
  754  297 0.0759( 0.06 0.14 0.05)  -863.29   86.95  0.00  -768.91 2.16916 17'15
  755  297 0.0762( 0.06 0.14 0.05)  -863.29   86.95  0.00  -768.90 2.16911 17'15
      Msd:   0.067(C)   0.075(N)   0.000( )   0.000( )   0.000( )
  756  297 0.0765( 0.06 0.14 0.05)  -863.28   86.96  0.00  -768.90 2.16906 17'15
  757  297 0.0768( 0.06 0.14 0.06)  -863.28   86.96  0.00  -768.89 2.16901 17'15
  758  298 0.0769( 0.06 0.14 0.06)  -863.29   86.96  0.00  -768.89 2.16896 17'15
  759  298 0.0770( 0.06 0.14 0.06)  -863.29   86.96  0.00  -768.89 2.16891 17'15
  760  298 0.0771( 0.06 0.14 0.06)  -863.29   86.96  0.00  -768.89 2.16885 17'15
      Msd:   0.066(C)   0.075(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  761  298 0.0770( 0.06 0.14 0.06)  -863.29   86.96  0.00  -768.89 2.16880 17'15
  762  298 0.0769( 0.06 0.14 0.06)  -863.29   86.96  0.00  -768.89 2.16874 17'15
  763  298 0.0767( 0.06 0.14 0.06)  -863.29   86.95  0.00  -768.90 2.16868 17'15
  764  298 0.0764( 0.05 0.13 0.06)  -863.29   86.95  0.00  -768.90 2.16862 17'15
  765  298 0.0759( 0.05 0.13 0.06)  -863.29   86.94  0.00  -768.90 2.16855 17'15
      Msd:   0.065(C)   0.075(N)   0.000( )   0.000( )   0.000( )
  766  298 0.0755( 0.05 0.13 0.06)  -863.29   86.94  0.00  -768.91 2.16848 17'15
  767  298 0.0749( 0.05 0.13 0.06)  -863.29   86.93  0.00  -768.91 2.16841 17'15
  768  298 0.0742( 0.05 0.13 0.06)  -863.29   86.92  0.00  -768.92 2.16834 17'15
  769  298 0.0734( 0.05 0.13 0.06)  -863.29   86.91  0.00  -768.93 2.16825 17'15
  770  298 0.0725( 0.05 0.13 0.06)  -863.29   86.90  0.00  -768.93 2.16815 17'15
      Msd:   0.064(C)   0.074(N)   0.000( )   0.000( )   0.000( )
  771  298 0.0713( 0.05 0.12 0.06)  -863.29   86.89  0.00  -768.94 2.16804 17'15
  772  298 0.0700( 0.05 0.12 0.06)  -863.28   86.88  0.00  -768.95 2.16791 17'15
  773  298 0.0684( 0.05 0.12 0.06)  -863.27   86.86  0.00  -768.96 2.16777 17'15
  774  298 0.0665( 0.05 0.12 0.06)  -863.26   86.84  0.00  -768.97 2.16761 17'15
  775  298 0.0643( 0.04 0.11 0.06)  -863.25   86.82  0.00  -768.98 2.16743 17'15
      Msd:   0.063(C)   0.074(N)   0.000( )   0.000( )   0.000( )
  776  298 0.0619( 0.04 0.11 0.06)  -863.23   86.79  0.00  -768.98 2.16723 17'15
  777  298 0.0591( 0.04 0.11 0.05)  -863.21   86.76  0.00  -768.99 2.16701 17'15
  778  298 0.0561( 0.04 0.10 0.05)  -863.19   86.73  0.00  -769.00 2.16676 17'15
  779  298 0.0527( 0.04 0.10 0.05)  -863.16   86.69  0.00  -769.01 2.16650 17'15
  780  299 0.0490( 0.03 0.09 0.04)  -863.13   86.65  0.00  -769.02 2.16621 17'15
      Msd:   0.062(C)   0.073(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  781  299 0.0450( 0.03 0.09 0.04)  -863.10   86.61  0.00  -769.03 2.16592 17'15
  782  299 0.0408( 0.03 0.08 0.04)  -863.07   86.56  0.00  -769.05 2.16566 17'15
  783  299 0.0369( 0.03 0.07 0.03)  -863.04   86.52  0.00  -769.06 2.16542 17'15
  784  299 0.0333( 0.02 0.07 0.03)  -863.01   86.48  0.00  -769.07 2.16520 17'15
  785  299 0.0298( 0.02 0.06 0.03)  -862.98   86.44  0.00  -769.08 2.16501 17'15
      Msd:   0.061(C)   0.072(N)   0.000( )   0.000( )   0.000( )
  786  299 0.0266( 0.02 0.06 0.02)  -862.96   86.41  0.00  -769.09 2.16484 17'15
  787  299 0.0235( 0.02 0.06 0.02)  -862.94   86.38  0.00  -769.10 2.16468 17'15
  788  299 0.0206( 0.02 0.05 0.02)  -862.92   86.35  0.00  -769.11 2.16455 17'15
  789  299 0.0179( 0.01 0.05 0.01)  -862.90   86.32  0.00  -769.13 2.16443 17'15
  790  299 0.0153( 0.01 0.04 0.01)  -862.89   86.29  0.00  -769.14 2.16434 17'15
      Msd:   0.060(C)   0.071(N)   0.000( )   0.000( )   0.000( )
  791  299 0.0128( 0.01 0.04 0.01)  -862.88   86.26  0.00  -769.15 2.16425 17'15
  792  299 0.0104( 0.01 0.04 0.01)  -862.86   86.23  0.00  -769.16 2.16419 17'15
  793  299 0.0081( 0.01 0.04 0.00)  -862.85   86.21  0.00  -769.18 2.16413 17'15
  794  299 0.0060( 0.01 0.03 0.00)  -862.85   86.19  0.00  -769.19 2.16410 17'15
  795  299 0.0039( 0.00 0.03-0.00)  -862.84   86.16  0.00  -769.21 2.16408 17'15
      Msd:   0.059(C)   0.070(N)   0.000( )   0.000( )   0.000( )
  796  299 0.0019( 0.00 0.03-0.00)  -862.83   86.14  0.00  -769.22 2.16407 17'15
  797  299-0.0001( 0.00 0.03-0.01)  -862.83   86.12  0.00  -769.24 2.16407 17'15
  798  299-0.0020(-0.00 0.03-0.01)  -862.82   86.10  0.00  -769.26 2.16408 17'15
  799  299-0.0039(-0.00 0.02-0.01)  -862.82   86.07  0.00  -769.27 2.16410 17'15
  800  299-0.0057(-0.00 0.02-0.01)  -862.82   86.05  0.00  -769.29 2.16412 17'15
      Msd:   0.058(C)   0.068(N)   0.000( )   0.000( )   0.000( )
--------------------------------------------------------------------------------
 Avr   297 0.0473( 0.06 0.09 0.02)  -863.23   86.62  0.00  -769.18 2.16851
 Std     0 0.0239( 0.02 0.04 0.03)     0.17    0.27  0.00     0.23 0.00223
--------------------------------------------------------------------------------
 Temperatures: Cl: 299 Na: 296
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  NaCl                                                          ====>>>
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  801  299-0.0076(-0.01 0.02-0.01)  -862.82   86.03  0.00  -769.31 2.16416 17'15
  802  299-0.0095(-0.01 0.02-0.02)  -862.81   86.01  0.00  -769.33 2.16420 17'15
  803  299-0.0114(-0.01 0.02-0.02)  -862.81   85.99  0.00  -769.35 2.16424 17'15
  804  299-0.0133(-0.01 0.02-0.02)  -862.81   85.96  0.00  -769.37 2.16429 17'15
  805  299-0.0152(-0.02 0.02-0.02)  -862.81   85.94  0.00  -769.39 2.16435 17'15
      Msd:   0.057(C)   0.067(N)   0.000( )   0.000( )   0.000( )
  806  299-0.0171(-0.02 0.02-0.02)  -862.81   85.92  0.00  -769.41 2.16441 17'15
  807  299-0.0191(-0.02 0.01-0.03)  -862.81   85.89  0.00  -769.43 2.16447 17'15
  808  300-0.0211(-0.02 0.01-0.03)  -862.81   85.87  0.00  -769.46 2.16454 17'15
  809  300-0.0231(-0.03 0.01-0.03)  -862.81   85.85  0.00  -769.48 2.16461 17'15
  810  300-0.0252(-0.03 0.01-0.03)  -862.81   85.82  0.00  -769.51 2.16468 17'15
      Msd:   0.056(C)   0.065(N)   0.000( )   0.000( )   0.000( )
  811  300-0.0272(-0.03 0.01-0.03)  -862.81   85.80  0.00  -769.53 2.16475 17'15
  812  300-0.0293(-0.04 0.01-0.04)  -862.81   85.77  0.00  -769.55 2.16483 17'15
  813  300-0.0314(-0.04 0.01-0.04)  -862.81   85.74  0.00  -769.58 2.16490 17'15
  814  300-0.0335(-0.04 0.01-0.04)  -862.81   85.72  0.00  -769.61 2.16498 17'15
  815  300-0.0357(-0.05 0.01-0.04)  -862.81   85.69  0.00  -769.63 2.16504 17'15
      Msd:   0.055(C)   0.063(N)   0.000( )   0.000( )   0.000( )
  816  300-0.0380(-0.05 0.00-0.04)  -862.81   85.66  0.00  -769.66 2.16510 17'15
  817  300-0.0404(-0.05 0.00-0.05)  -862.81   85.63  0.00  -769.68 2.16516 17'15
  818  300-0.0428(-0.06 0.00-0.05)  -862.80   85.60  0.00  -769.71 2.16521 17'15
  819  300-0.0453(-0.06-0.00-0.05)  -862.80   85.57  0.00  -769.74 2.16525 17'15
  820  300-0.0478(-0.07-0.00-0.05)  -862.79   85.54  0.00  -769.76 2.16530 17'15
      Msd:   0.055(C)   0.062(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  821  300-0.0504(-0.07-0.01-0.05)  -862.79   85.51  0.00  -769.79 2.16533 17'15
  822  300-0.0529(-0.07-0.01-0.05)  -862.78   85.48  0.00  -769.81 2.16537 17'15
  823  300-0.0555(-0.08-0.01-0.06)  -862.77   85.45  0.00  -769.84 2.16540 17'15
  824  300-0.0579(-0.08-0.01-0.06)  -862.77   85.42  0.00  -769.86 2.16544 17'15
  825  300-0.0603(-0.08-0.01-0.06)  -862.76   85.39  0.00  -769.89 2.16548 17'15
      Msd:   0.054(C)   0.060(N)   0.000( )   0.000( )   0.000( )
  826  299-0.0626(-0.09-0.02-0.06)  -862.75   85.36  0.00  -769.91 2.16552 17'15
  827  299-0.0648(-0.09-0.02-0.06)  -862.75   85.33  0.00  -769.94 2.16556 17'15
  828  299-0.0669(-0.09-0.02-0.06)  -862.74   85.30  0.00  -769.96 2.16561 17'15
  829  299-0.0689(-0.10-0.02-0.06)  -862.74   85.28  0.00  -769.98 2.16565 17'15
  830  299-0.0707(-0.10-0.03-0.06)  -862.73   85.25  0.00  -770.00 2.16570 17'15
      Msd:   0.054(C)   0.058(N)   0.000( )   0.000( )   0.000( )
  831  299-0.0725(-0.10-0.03-0.06)  -862.73   85.23  0.00  -770.02 2.16575 17'15
  832  299-0.0741(-0.10-0.03-0.06)  -862.72   85.21  0.00  -770.04 2.16579 17'15
  833  299-0.0756(-0.11-0.03-0.06)  -862.72   85.19  0.00  -770.06 2.16584 17'15
  834  299-0.0769(-0.11-0.04-0.06)  -862.72   85.18  0.00  -770.07 2.16589 17'15
  835  299-0.0781(-0.11-0.04-0.06)  -862.72   85.16  0.00  -770.09 2.16594 17'15
      Msd:   0.053(C)   0.057(N)   0.000( )   0.000( )   0.000( )
  836  299-0.0791(-0.11-0.04-0.06)  -862.72   85.15  0.00  -770.10 2.16600 17'15
  837  299-0.0800(-0.11-0.04-0.06)  -862.71   85.13  0.00  -770.12 2.16605 17'15
  838  299-0.0807(-0.11-0.04-0.06)  -862.71   85.12  0.00  -770.13 2.16610 17'15
  839  298-0.0813(-0.11-0.05-0.06)  -862.71   85.12  0.00  -770.14 2.16615 17'15
  840  298-0.0817(-0.11-0.05-0.06)  -862.72   85.11  0.00  -770.15 2.16621 17'15
      Msd:   0.053(C)   0.056(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  841  298-0.0820(-0.11-0.05-0.06)  -862.72   85.10  0.00  -770.16 2.16626 17'15
  842  298-0.0821(-0.11-0.05-0.06)  -862.72   85.10  0.00  -770.17 2.16632 17'15
  843  298-0.0821(-0.11-0.05-0.06)  -862.73   85.10  0.00  -770.18 2.16637 17'15
  844  298-0.0818(-0.11-0.05-0.06)  -862.73   85.10  0.00  -770.18 2.16644 17'15
  845  298-0.0814(-0.11-0.06-0.05)  -862.74   85.11  0.00  -770.19 2.16650 17'15
      Msd:   0.053(C)   0.055(N)   0.000( )   0.000( )   0.000( )
  846  298-0.0808(-0.11-0.06-0.05)  -862.74   85.11  0.00  -770.19 2.16657 17'15
  847  298-0.0800(-0.11-0.06-0.05)  -862.75   85.12  0.00  -770.19 2.16664 17'15
  848  298-0.0791(-0.11-0.06-0.05)  -862.76   85.13  0.00  -770.19 2.16671 17'15
  849  298-0.0780(-0.10-0.06-0.05)  -862.78   85.14  0.00  -770.19 2.16679 17'15
  850  298-0.0767(-0.10-0.06-0.04)  -862.79   85.16  0.00  -770.19 2.16686 17'15
      Msd:   0.052(C)   0.054(N)   0.000( )   0.000( )   0.000( )
  851  298-0.0752(-0.10-0.06-0.04)  -862.80   85.17  0.00  -770.19 2.16694 17'15
  852  297-0.0737(-0.10-0.06-0.04)  -862.82   85.19  0.00  -770.19 2.16702 17'15
  853  297-0.0719(-0.10-0.06-0.04)  -862.83   85.21  0.00  -770.19 2.16711 17'16
  854  297-0.0701(-0.09-0.06-0.03)  -862.85   85.23  0.00  -770.19 2.16720 17'16
  855  297-0.0680(-0.09-0.06-0.03)  -862.87   85.26  0.00  -770.18 2.16731 17'16
      Msd:   0.052(C)   0.054(N)   0.000( )   0.000( )   0.000( )
  856  297-0.0656(-0.09-0.06-0.03)  -862.90   85.29  0.00  -770.18 2.16743 17'16
  857  297-0.0631(-0.08-0.06-0.03)  -862.92   85.32  0.00  -770.18 2.16756 17'16
  858  297-0.0603(-0.08-0.06-0.02)  -862.95   85.35  0.00  -770.17 2.16771 17'16
  859  297-0.0572(-0.07-0.06-0.02)  -862.98   85.38  0.00  -770.17 2.16787 17'16
  860  297-0.0539(-0.07-0.06-0.02)  -863.01   85.42  0.00  -770.17 2.16804 17'16
      Msd:   0.052(C)   0.053(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  861  297-0.0504(-0.06-0.05-0.01)  -863.05   85.46  0.00  -770.16 2.16823 17'16
  862  297-0.0466(-0.06-0.05-0.01)  -863.09   85.51  0.00  -770.16 2.16844 17'16
  863  297-0.0427(-0.05-0.05-0.00)  -863.13   85.55  0.00  -770.15 2.16865 17'16
  864  297-0.0386(-0.05-0.05-0.00)  -863.18   85.60  0.00  -770.15 2.16888 17'16
  865  297-0.0343(-0.04-0.04 0.00)  -863.22   85.65  0.00  -770.15 2.16910 17'16
      Msd:   0.052(C)   0.053(N)   0.000( )   0.000( )   0.000( )
  866  297-0.0301(-0.03-0.04 0.01)  -863.27   85.70  0.00  -770.14 2.16930 17'16
  867  297-0.0261(-0.03-0.04 0.01)  -863.32   85.74  0.00  -770.14 2.16947 17'16
  868  297-0.0225(-0.02-0.04 0.01)  -863.36   85.78  0.00  -770.14 2.16962 17'16
  869  298-0.0192(-0.02-0.04 0.02)  -863.40   85.82  0.00  -770.14 2.16974 17'16
  870  298-0.0162(-0.01-0.03 0.02)  -863.43   85.86  0.00  -770.14 2.16985 17'16
      Msd:   0.051(C)   0.054(N)   0.000( )   0.000( )   0.000( )
  871  298-0.0134(-0.01-0.03 0.02)  -863.47   85.89  0.00  -770.14 2.16994 17'16
  872  298-0.0109(-0.00-0.03 0.02)  -863.50   85.92  0.00  -770.14 2.17001 17'16
  873  298-0.0086( 0.00-0.03 0.03)  -863.53   85.95  0.00  -770.14 2.17007 17'16
  874  298-0.0066( 0.00-0.03 0.03)  -863.56   85.98  0.00  -770.14 2.17011 17'16
  875  298-0.0047( 0.01-0.03 0.03)  -863.59   86.00  0.00  -770.14 2.17014 17'16
      Msd:   0.051(C)   0.054(N)   0.000( )   0.000( )   0.000( )
  876  298-0.0031( 0.01-0.03 0.03)  -863.61   86.02  0.00  -770.15 2.17016 17'16
  877  298-0.0017( 0.01-0.03 0.03)  -863.64   86.04  0.00  -770.15 2.17017 17'16
  878  298-0.0005( 0.02-0.03 0.03)  -863.66   86.05  0.00  -770.16 2.17017 17'16
  879  298 0.0006( 0.02-0.03 0.03)  -863.68   86.07  0.00  -770.16 2.17017 17'16
  880  298 0.0015( 0.02-0.03 0.04)  -863.70   86.08  0.00  -770.17 2.17016 17'16
      Msd:   0.051(C)   0.054(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  881  298 0.0024( 0.02-0.03 0.04)  -863.72   86.09  0.00  -770.18 2.17016 17'16
  882  298 0.0031( 0.03-0.03 0.04)  -863.74   86.10  0.00  -770.18 2.17015 17'16
  883  298 0.0037( 0.03-0.03 0.04)  -863.76   86.11  0.00  -770.19 2.17014 17'16
  884  298 0.0043( 0.03-0.03 0.04)  -863.78   86.12  0.00  -770.20 2.17013 17'16
  885  299 0.0047( 0.03-0.04 0.04)  -863.80   86.13  0.00  -770.21 2.17013 17'16
      Msd:   0.051(C)   0.055(N)   0.000( )   0.000( )   0.000( )
  886  299 0.0051( 0.03-0.04 0.04)  -863.82   86.14  0.00  -770.23 2.17012 17'16
  887  299 0.0054( 0.04-0.04 0.04)  -863.84   86.14  0.00  -770.24 2.17011 17'16
  888  299 0.0056( 0.04-0.04 0.04)  -863.86   86.14  0.00  -770.25 2.17011 17'16
  889  299 0.0058( 0.04-0.04 0.04)  -863.87   86.15  0.00  -770.26 2.17010 17'16
  890  299 0.0058( 0.04-0.04 0.04)  -863.89   86.15  0.00  -770.28 2.17010 17'16
      Msd:   0.051(C)   0.056(N)   0.000( )   0.000( )   0.000( )
  891  299 0.0058( 0.04-0.04 0.04)  -863.90   86.15  0.00  -770.29 2.17010 17'16
  892  299 0.0058( 0.04-0.05 0.04)  -863.92   86.15  0.00  -770.30 2.17009 17'16
  893  299 0.0056( 0.04-0.05 0.04)  -863.93   86.15  0.00  -770.32 2.17009 17'16
  894  299 0.0054( 0.04-0.05 0.04)  -863.94   86.15  0.00  -770.33 2.17008 17'16
  895  299 0.0051( 0.04-0.05 0.04)  -863.96   86.15  0.00  -770.34 2.17008 17'16
      Msd:   0.052(C)   0.056(N)   0.000( )   0.000( )   0.000( )
  896  299 0.0048( 0.04-0.05 0.04)  -863.97   86.15  0.00  -770.36 2.17008 17'16
  897  299 0.0044( 0.04-0.05 0.04)  -863.97   86.14  0.00  -770.37 2.17008 17'16
  898  299 0.0040( 0.04-0.05 0.04)  -863.98   86.14  0.00  -770.38 2.17007 17'16
  899  299 0.0035( 0.04-0.05 0.04)  -863.99   86.13  0.00  -770.40 2.17007 17'16
  900  299 0.0030( 0.04-0.05 0.04)  -863.99   86.13  0.00  -770.41 2.17007 17'16
      Msd:   0.052(C)   0.057(N)   0.000( )   0.000( )   0.000( )
--------------------------------------------------------------------------------
 Avr   299-0.0367(-0.04-0.03-0.02)  -863.13   85.65  0.00  -770.03 2.16743
 Std     0 0.0320( 0.05 0.02 0.04)     0.46    0.38  0.00     0.28 0.00215
--------------------------------------------------------------------------------
 Temperatures: Cl: 302 Na: 295
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  NaCl                                                          ====>>>
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  901  298 0.0025( 0.04-0.05 0.04)  -864.00   86.12  0.00  -770.42 2.17007 17'16
  902  298 0.0019( 0.04-0.05 0.04)  -864.00   86.12  0.00  -770.43 2.17006 17'16
  903  298 0.0014( 0.04-0.05 0.04)  -864.00   86.11  0.00  -770.44 2.17006 17'16
  904  298 0.0008( 0.04-0.05 0.04)  -864.00   86.10  0.00  -770.45 2.17006 17'16
  905  298 0.0002( 0.04-0.05 0.04)  -864.00   86.10  0.00  -770.45 2.17006 17'16
      Msd:   0.053(C)   0.058(N)   0.000( )   0.000( )   0.000( )
  906  298-0.0004( 0.04-0.05 0.03)  -864.00   86.09  0.00  -770.46 2.17006 17'16
  907  298-0.0010( 0.04-0.05 0.03)  -863.99   86.08  0.00  -770.47 2.17007 17'16
  908  298-0.0016( 0.04-0.05 0.03)  -863.99   86.08  0.00  -770.47 2.17007 17'16
  909  298-0.0022( 0.03-0.05 0.03)  -863.98   86.07  0.00  -770.47 2.17007 17'16
  910  298-0.0027( 0.03-0.05 0.03)  -863.97   86.06  0.00  -770.47 2.17008 17'16
      Msd:   0.054(C)   0.059(N)   0.000( )   0.000( )   0.000( )
  911  298-0.0032( 0.03-0.04 0.03)  -863.97   86.06  0.00  -770.47 2.17009 17'16
  912  297-0.0037( 0.03-0.04 0.03)  -863.96   86.05  0.00  -770.47 2.17011 17'16
  913  297-0.0041( 0.03-0.04 0.02)  -863.95   86.05  0.00  -770.47 2.17012 17'16
  914  297-0.0044( 0.03-0.04 0.02)  -863.94   86.04  0.00  -770.47 2.17014 17'16
  915  297-0.0047( 0.02-0.03 0.02)  -863.92   86.04  0.00  -770.46 2.17017 17'16
      Msd:   0.054(C)   0.060(N)   0.000( )   0.000( )   0.000( )
  916  297-0.0049( 0.02-0.03 0.02)  -863.91   86.04  0.00  -770.45 2.17020 17'16
  917  297-0.0050( 0.02-0.03 0.02)  -863.90   86.03  0.00  -770.45 2.17024 17'16
  918  297-0.0051( 0.02-0.03 0.01)  -863.89   86.03  0.00  -770.44 2.17027 17'16
  919  297-0.0052( 0.02-0.02 0.01)  -863.87   86.03  0.00  -770.43 2.17031 17'16
  920  297-0.0052( 0.01-0.02 0.01)  -863.86   86.03  0.00  -770.42 2.17034 17'16
      Msd:   0.055(C)   0.062(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  921  297-0.0053( 0.01-0.02 0.01)  -863.84   86.03  0.00  -770.40 2.17038 17'16
  922  296-0.0053( 0.01-0.01 0.01)  -863.82   86.03  0.00  -770.39 2.17041 17'16
  923  296-0.0053( 0.01-0.01 0.01)  -863.81   86.02  0.00  -770.38 2.17044 17'16
  924  296-0.0052( 0.01-0.01 0.01)  -863.79   86.02  0.00  -770.36 2.17048 17'16
  925  296-0.0052( 0.01-0.00 0.00)  -863.77   86.02  0.00  -770.34 2.17051 17'16
      Msd:   0.057(C)   0.063(N)   0.000( )   0.000( )   0.000( )
  926  296-0.0052( 0.01-0.00 0.00)  -863.75   86.02  0.00  -770.33 2.17054 17'16
  927  296-0.0051( 0.00 0.00 0.00)  -863.73   86.02  0.00  -770.31 2.17057 17'16
  928  296-0.0051( 0.00 0.00 0.00)  -863.71   86.02  0.00  -770.29 2.17060 17'16
  929  296-0.0051( 0.00 0.01-0.00)  -863.69   86.02  0.00  -770.27 2.17063 17'16
  930  296-0.0051( 0.00 0.01-0.00)  -863.66   86.01  0.00  -770.25 2.17065 17'16
      Msd:   0.058(C)   0.065(N)   0.000( )   0.000( )   0.000( )
  931  296-0.0051(-0.00 0.01-0.00)  -863.64   86.01  0.00  -770.23 2.17067 17'16
  932  296-0.0051(-0.00 0.01-0.00)  -863.62   86.01  0.00  -770.21 2.17069 17'16
  933  296-0.0051(-0.00 0.01-0.00)  -863.59   86.01  0.00  -770.19 2.17070 17'16
  934  296-0.0052(-0.00 0.02-0.00)  -863.57   86.01  0.00  -770.17 2.17071 17'16
  935  296-0.0052(-0.00 0.02-0.00)  -863.55   86.00  0.00  -770.15 2.17073 17'16
      Msd:   0.059(C)   0.067(N)   0.000( )   0.000( )   0.000( )
  936  296-0.0052(-0.01 0.02-0.01)  -863.52   86.00  0.00  -770.13 2.17074 17'16
  937  296-0.0052(-0.01 0.02-0.01)  -863.50   86.00  0.00  -770.10 2.17074 17'16
  938  296-0.0052(-0.01 0.02-0.01)  -863.47   86.00  0.00  -770.08 2.17075 17'16
  939  296-0.0052(-0.01 0.02-0.01)  -863.45   86.00  0.00  -770.06 2.17076 17'16
  940  296-0.0051(-0.01 0.02-0.01)  -863.43   86.00  0.00  -770.04 2.17076 17'16
      Msd:   0.060(C)   0.069(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  941  296-0.0050(-0.01 0.02-0.01)  -863.41   86.00  0.00  -770.02 2.17077 17'16
  942  296-0.0049(-0.01 0.02-0.01)  -863.38   86.00  0.00  -769.99 2.17077 17'16
  943  296-0.0047(-0.01 0.02-0.00)  -863.36   86.00  0.00  -769.97 2.17078 17'16
  944  296-0.0045(-0.01 0.02-0.00)  -863.34   86.00  0.00  -769.95 2.17078 17'16
  945  296-0.0042(-0.01 0.02-0.00)  -863.32   86.00  0.00  -769.93 2.17079 17'16
      Msd:   0.062(C)   0.071(N)   0.000( )   0.000( )   0.000( )
  946  296-0.0039(-0.01 0.02-0.00)  -863.30   86.00  0.00  -769.91 2.17079 17'16
  947  296-0.0035(-0.01 0.02-0.00)  -863.28   86.00  0.00  -769.88 2.17079 17'16
  948  296-0.0031(-0.01 0.02-0.00)  -863.26   86.01  0.00  -769.86 2.17080 17'16
  949  296-0.0026(-0.01 0.02 0.00)  -863.25   86.01  0.00  -769.84 2.17080 17'16
  950  296-0.0021(-0.01 0.02 0.00)  -863.23   86.02  0.00  -769.82 2.17080 17'16
      Msd:   0.063(C)   0.073(N)   0.000( )   0.000( )   0.000( )
  951  296-0.0015(-0.01 0.02 0.00)  -863.22   86.02  0.00  -769.80 2.17081 17'16
  952  296-0.0008(-0.01 0.02 0.01)  -863.20   86.03  0.00  -769.78 2.17081 17'16
  953  296-0.0000(-0.01 0.02 0.01)  -863.19   86.04  0.00  -769.76 2.17081 17'16
  954  296 0.0008(-0.01 0.02 0.01)  -863.18   86.04  0.00  -769.74 2.17081 17'16
  955  296 0.0016(-0.01 0.02 0.01)  -863.16   86.05  0.00  -769.72 2.17080 17'16
      Msd:   0.065(C)   0.075(N)   0.000( )   0.000( )   0.000( )
  956  296 0.0025(-0.00 0.02 0.01)  -863.15   86.06  0.00  -769.70 2.17080 17'16
  957  296 0.0035(-0.00 0.02 0.01)  -863.14   86.07  0.00  -769.68 2.17079 17'16
  958  296 0.0045(-0.00 0.02 0.02)  -863.13   86.08  0.00  -769.65 2.17078 17'16
  959  296 0.0056( 0.00 0.02 0.02)  -863.12   86.09  0.00  -769.63 2.17076 17'16
  960  296 0.0067( 0.00 0.02 0.02)  -863.12   86.11  0.00  -769.61 2.17074 17'16
      Msd:   0.066(C)   0.077(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  961  296 0.0078( 0.00 0.02 0.02)  -863.11   86.12  0.00  -769.59 2.17072 17'16
  962  296 0.0090( 0.01 0.02 0.02)  -863.10   86.13  0.00  -769.57 2.17069 17'16
  963  296 0.0103( 0.01 0.02 0.03)  -863.09   86.15  0.00  -769.55 2.17065 17'16
  964  296 0.0116( 0.01 0.02 0.03)  -863.08   86.16  0.00  -769.53 2.17062 17'16
  965  296 0.0130( 0.01 0.02 0.03)  -863.08   86.18  0.00  -769.51 2.17058 17'16
      Msd:   0.068(C)   0.079(N)   0.000( )   0.000( )   0.000( )
  966  296 0.0145( 0.01 0.02 0.03)  -863.07   86.19  0.00  -769.49 2.17055 17'16
  967  296 0.0162( 0.02 0.02 0.03)  -863.07   86.21  0.00  -769.47 2.17052 17'16
  968  296 0.0180( 0.02 0.02 0.03)  -863.07   86.23  0.00  -769.44 2.17049 17'16
  969  296 0.0199( 0.02 0.02 0.04)  -863.06   86.26  0.00  -769.42 2.17046 17'16
  970  296 0.0219( 0.03 0.02 0.04)  -863.06   86.28  0.00  -769.40 2.17044 17'16
      Msd:   0.069(C)   0.080(N)   0.000( )   0.000( )   0.000( )
  971  296 0.0241( 0.03 0.03 0.04)  -863.06   86.31  0.00  -769.37 2.17041 17'16
  972  296 0.0265( 0.03 0.03 0.04)  -863.06   86.33  0.00  -769.35 2.17039 17'16
  973  296 0.0289( 0.04 0.03 0.04)  -863.07   86.36  0.00  -769.32 2.17036 17'16
  974  295 0.0315( 0.04 0.03 0.05)  -863.07   86.39  0.00  -769.29 2.17034 17'16
  975  295 0.0342( 0.05 0.03 0.05)  -863.07   86.43  0.00  -769.27 2.17032 17'16
      Msd:   0.071(C)   0.081(N)   0.000( )   0.000( )   0.000( )
  976  295 0.0371( 0.05 0.03 0.05)  -863.08   86.46  0.00  -769.24 2.17030 17'16
  977  295 0.0400( 0.06 0.03 0.05)  -863.08   86.49  0.00  -769.21 2.17027 17'16
  978  295 0.0429( 0.06 0.04 0.05)  -863.08   86.53  0.00  -769.18 2.17024 17'16
  979  295 0.0460( 0.07 0.04 0.06)  -863.09   86.57  0.00  -769.15 2.17021 17'16
  980  295 0.0491( 0.07 0.04 0.06)  -863.09   86.61  0.00  -769.12 2.17018 17'16
      Msd:   0.073(C)   0.082(N)   0.000( )   0.000( )   0.000( )
== NaCl                                                         (END=  1000) ==
+  00K steps ----------------------------------------------------------- Hour=14
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn'sc
  981  295 0.0522( 0.08 0.04 0.06)  -863.10   86.64  0.00  -769.08 2.17015 17'16
  982  295 0.0554( 0.08 0.04 0.06)  -863.10   86.68  0.00  -769.05 2.17011 17'16
  983  295 0.0587( 0.09 0.05 0.07)  -863.11   86.72  0.00  -769.02 2.17007 17'16
  984  295 0.0619( 0.09 0.05 0.07)  -863.11   86.76  0.00  -768.98 2.17003 17'16
  985  295 0.0652( 0.10 0.05 0.07)  -863.11   86.80  0.00  -768.95 2.16999 17'16
      Msd:   0.075(C)   0.083(N)   0.000( )   0.000( )   0.000( )
  986  295 0.0685( 0.10 0.05 0.07)  -863.12   86.84  0.00  -768.91 2.16994 17'16
  987  295 0.0718( 0.11 0.05 0.08)  -863.12   86.88  0.00  -768.88 2.16990 17'16
  988  295 0.0750( 0.12 0.06 0.08)  -863.12   86.92  0.00  -768.84 2.16985 17'16
  989  295 0.0782( 0.12 0.06 0.08)  -863.13   86.96  0.00  -768.80 2.16980 17'16
  990  295 0.0814( 0.13 0.06 0.08)  -863.13   87.00  0.00  -768.77 2.16975 17'16
      Msd:   0.076(C)   0.084(N)   0.000( )   0.000( )   0.000( )
  991  295 0.0845( 0.13 0.06 0.08)  -863.13   87.04  0.00  -768.73 2.16969 17'16
  992  295 0.0875( 0.14 0.06 0.09)  -863.13   87.07  0.00  -768.69 2.16963 17'16
  993  295 0.0905( 0.14 0.06 0.09)  -863.13   87.11  0.00  -768.66 2.16957 17'16
  994  295 0.0933( 0.15 0.06 0.09)  -863.13   87.15  0.00  -768.62 2.16951 17'16
  995  295 0.0961( 0.15 0.07 0.09)  -863.13   87.18  0.00  -768.59 2.16945 17'16
      Msd:   0.078(C)   0.084(N)   0.000( )   0.000( )   0.000( )
  996  295 0.0987( 0.16 0.07 0.10)  -863.13   87.21  0.00  -768.55 2.16939 17'16
  997  295 0.1012( 0.16 0.07 0.10)  -863.13   87.24  0.00  -768.52 2.16932 17'16
  998  295 0.1035( 0.16 0.07 0.10)  -863.12   87.27  0.00  -768.48 2.16925 17'16
  999  295 0.1057( 0.17 0.07 0.10)  -863.12   87.30  0.00  -768.45 2.16919 17'16
 1000  295 0.1077( 0.17 0.07 0.10)  -863.11   87.32  0.00  -768.42 2.16912 17'16
      Msd:   0.080(C)   0.084(N)   0.000( )   0.000( )   0.000( )
--------------------------------------------------------------------------------
 Avr   296 0.0197( 0.04 0.01 0.03)  -863.41   86.29  0.00  -769.72 2.17033
 Std     0 0.0343( 0.05 0.03 0.03)     0.35    0.39  0.00     0.63 0.00043
--------------------------------------------------------------------------------
 Temperatures: Cl: 304 Na: 288
--------------------------------------------------------------------------------
===============  Files were updated  =============  End=  1000  ===============
<<<=====  NaCl                                                          ====>>>

   =========================================================================
    ===== Started at 14:17:12 on 11/19, finished at 14:17:16 on 11/19 =====
   =========================================================================
