 Welcome to MOLECULAR DYNAMICS SIMULATION WORLD: MXD-TRICL Version 2023-11-07-
      ============== Titles in FILE07.DAT and FILE05.DAT are ==============
  =====[F7]: Low-Quartz (SiO2)  Wright & Lehmann (1981)  J.S.S.C 36, P371 ===== 
  =====[F5]:  Quartz                                                      ===== 
 Option[ 1:MD......  2:START     3:ECONOMY   4:NOACCUM   5:T SCALIN  6:P SCALIN]
       [ 7:          8:BMH-EXP   9:         10:         11:         12:        ]
       [13:         14:         15:         16:         17:AMORPHOU 18:        ]
       [19:         20:         21:         22:         23:         24:        ]
       [25:         26:         27:         28:         29:         30:        ]
       [31:         32:         33:         34:         35:         36:        ]
 Started at 10:52:32 on 2023/12/ 4   from      1-st step, until     1000-th step
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
    1   13 0.2996( 0.04 0.04 0.95) -2310.25  -86.41  0.00 -2396.41 2.63916 52:32
    2  139-0.3726(-0.42-0.41-0.17) -2307.62  -89.09  0.00 -2394.10 2.65014 52:32
    3  199 0.8126( 0.82 0.84 0.91) -2311.54  -85.26  0.00 -2393.08 2.62998 52:32
    4  246-0.6288(-0.58-0.56-0.61) -2306.73  -90.14  0.00 -2392.25 2.64379 52:32
    5  270 0.9311( 0.97 1.00 0.95) -2312.10  -84.79  0.00 -2391.83 2.62652 52:32
 Msd:  0.00:O  0.00:S  0.00:   0.00:   0.00:   24.597 24.602 21.749
       0.00:   0.00:   0.00:                   90.002 90.003120.007
    6  279-0.1655(-0.11-0.08-0.18) -2308.56  -88.26  0.00 -2391.60 2.62935 52:32
    7  282 0.5199( 0.58 0.61 0.51) -2311.02  -85.69  0.00 -2391.42 2.62215 52:33
    8  281 0.3568( 0.42 0.45 0.33) -2310.60  -85.94  0.00 -2391.27 2.61649 52:33
    9  281 0.3414( 0.41 0.43 0.31) -2310.66  -85.71  0.00 -2391.10 2.61025 52:33
   10  281 0.2796( 0.36 0.37 0.25) -2310.56  -85.65  0.00 -2390.93 2.60437 52:33
 Msd:  0.00:O  0.00:S  0.00:   0.00:   0.00:   24.674 24.686 21.793
       0.00:   0.00:   0.00:                   90.007 90.014120.013
   11  283 0.2461( 0.33 0.33 0.21) -2310.54  -85.53  0.00 -2390.77 2.59841 52:33
   12  285 0.1953( 0.28 0.28 0.16) -2310.46  -85.50  0.00 -2390.61 2.59294 52:33
   13  288 0.1751( 0.26 0.25 0.14) -2310.48  -85.40  0.00 -2390.48 2.58725 52:33
   14  290 0.1202( 0.21 0.20 0.09) -2310.37  -85.44  0.00 -2390.37 2.58272 52:33
   15  291 0.1503( 0.24 0.22 0.12) -2310.54  -85.19  0.00 -2390.28 2.57774 52:33
 Msd:  0.01:O  0.00:S  0.00:   0.00:   0.00:   24.777 24.793 21.829
       0.00:   0.00:   0.00:                   90.011 90.037120.000
   16  290 0.1261( 0.23 0.21 0.08) -2310.50  -85.13  0.00 -2390.20 2.57285 52:33
   17  287 0.0971( 0.21 0.18 0.05) -2310.41  -85.07  0.00 -2390.10 2.56903 52:33
   18  283 0.1462( 0.26 0.24 0.09) -2310.56  -84.72  0.00 -2389.98 2.56407 52:33
   19  278 0.0812( 0.21 0.18-0.01) -2310.28  -84.75  0.00 -2389.82 2.56110 52:33
   20  273 0.1711( 0.31 0.28 0.07) -2310.51  -84.22  0.00 -2389.62 2.55583 52:33
 Msd:  0.01:O  0.01:S  0.00:   0.00:   0.00:   24.881 24.892 21.831
       0.00:   0.00:   0.00:                   90.005 90.052119.974
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
   21  268 0.0401( 0.20 0.16-0.09) -2309.94  -84.45  0.00 -2389.37 2.55442 52:33
   22  264 0.2148( 0.37 0.34 0.08) -2310.41  -83.63  0.00 -2389.09 2.54849 52:33
   23  261-0.0363( 0.14 0.10-0.20) -2309.37  -84.30  0.00 -2388.77 2.54941 52:33
   24  261 0.2629( 0.44 0.40 0.09) -2310.25  -83.08  0.00 -2388.44 2.54290 52:34
   25  262-0.1282( 0.07 0.02-0.32) -2308.71  -84.31  0.00 -2388.10 2.54586 52:34
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.962 24.962 21.780
       0.00:   0.00:   0.00:                   89.997 90.056119.954
   26  265 0.2409( 0.44 0.39 0.04) -2309.84  -82.91  0.00 -2387.78 2.54051 52:34
   27  269-0.1651( 0.04-0.01-0.38) -2308.24  -84.27  0.00 -2387.48 2.54370 52:34
   28  274 0.1025( 0.31 0.26-0.12) -2309.03  -83.31  0.00 -2387.22 2.54189 52:34
   29  278-0.1229( 0.09 0.03-0.35) -2308.09  -84.12  0.00 -2386.99 2.54412 52:34
   30  282-0.0598( 0.14 0.09-0.28) -2308.17  -83.93  0.00 -2386.81 2.54523 52:34
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   25.009 24.996 21.713
       0.00:   0.00:   0.00:                   89.994 90.056119.947
   31  286-0.1487( 0.04-0.00-0.35) -2307.72  -84.30  0.00 -2386.66 2.54751 52:34
   32  288-0.1897(-0.02-0.05-0.37) -2307.44  -84.51  0.00 -2386.54 2.55002 52:34
   33  290-0.2585(-0.10-0.13-0.41) -2307.07  -84.82  0.00 -2386.45 2.55296 52:34
   34  292-0.3354(-0.20-0.22-0.45) -2306.69  -85.16  0.00 -2386.38 2.55625 52:34
   35  293-0.4263(-0.33-0.33-0.49) -2306.26  -85.56  0.00 -2386.32 2.55985 52:34
 Msd:  0.02:O  0.02:S  0.00:   0.00:   0.00:   24.983 24.962 21.642
       0.00:   0.00:   0.00:                   89.996 90.056119.953
   36  295-0.5337(-0.47-0.46-0.54) -2305.78  -86.04  0.00 -2386.28 2.56414 52:34
   37  298-0.6265(-0.61-0.59-0.55) -2305.37  -86.48  0.00 -2386.27 2.56918 52:34
   38  301-0.7005(-0.74-0.71-0.53) -2305.04  -86.88  0.00 -2386.28 2.57482 52:34
   39  305-0.7684(-0.86-0.83-0.49) -2304.74  -87.30  0.00 -2386.33 2.58101 52:34
   40  309-0.8330(-0.99-0.95-0.43) -2304.46  -87.74  0.00 -2386.42 2.58774 52:34
 Msd:  0.02:O  0.02:S  0.00:   0.00:   0.00:   24.885 24.864 21.581
       0.00:   0.00:   0.00:                   90.004 90.056119.967
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
   41  312-0.8942(-1.11-1.08-0.37) -2304.20  -88.20  0.00 -2386.55 2.59496 52:35
   42  315-0.9495(-1.23-1.20-0.30) -2303.95  -88.68  0.00 -2386.72 2.60264 52:35
   43  318-0.9965(-1.33-1.31-0.22) -2303.73  -89.16  0.00 -2386.94 2.61071 52:35
   44  319-1.0329(-1.42-1.41-0.14) -2303.52  -89.62  0.00 -2387.18 2.61908 52:35
   45  318-1.0571(-1.49-1.49-0.07) -2303.34  -90.06  0.00 -2387.43 2.62765 52:35
 Msd:  0.02:O  0.02:S  0.00:   0.00:   0.00:   24.716 24.693 21.549
       0.00:   0.00:   0.00:                   90.015 90.057119.979
   46  317-1.0687(-1.53-1.55 0.00) -2303.17  -90.45  0.00 -2387.68 2.63634 52:35
   47  314-1.0681(-1.56-1.59 0.07) -2303.01  -90.80  0.00 -2387.92 2.64504 52:35
   48  310-1.0565(-1.56-1.61 0.12) -2302.86  -91.09  0.00 -2388.13 2.65368 52:35
   49  307-1.0357(-1.54-1.61 0.16) -2302.71  -91.34  0.00 -2388.31 2.66259 52:35
   50  303-0.9725(-1.47-1.55 0.22) -2302.69  -91.43  0.00 -2388.45 2.67141 52:35
 Msd:  0.02:O  0.02:S  0.00:   0.00:   0.00:   24.514 24.484 21.553
       0.00:   0.00:   0.00:                   90.030 90.058119.980
   51  299-0.8949(-1.37-1.46 0.26) -2302.69  -91.46  0.00 -2388.55 2.67999 52:35
   52  295-0.8155(-1.26-1.35 0.28) -2302.69  -91.46  0.00 -2388.61 2.68826 52:35
   53  293-0.7394(-1.14-1.24 0.28) -2302.66  -91.45  0.00 -2388.62 2.69699 52:35
   54  291-0.5999(-0.94-1.04 0.31) -2302.84  -91.22  0.00 -2388.61 2.70454 52:35
   55  289-0.5379(-0.82-0.91 0.26) -2302.75  -91.24  0.00 -2388.57 2.71244 52:35
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.318 24.272 21.584
       0.00:   0.00:   0.00:                   90.049 90.058119.973
   56  288-0.4215(-0.65-0.72 0.25) -2302.84  -91.07  0.00 -2388.51 2.71975 52:35
   57  287-0.3319(-0.49-0.55 0.21) -2302.84  -90.98  0.00 -2388.44 2.72656 52:36
   58  287-0.2606(-0.37-0.41 0.15) -2302.78  -90.94  0.00 -2388.35 2.73291 52:36
   59  286-0.2037(-0.26-0.28 0.10) -2302.66  -90.95  0.00 -2388.24 2.73881 52:36
   60  286-0.1582(-0.17-0.19 0.06) -2302.51  -91.00  0.00 -2388.14 2.74428 52:36
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.177 24.114 21.601
       0.00:   0.00:   0.00:                   90.078 90.056119.981
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
   61  286-0.1214(-0.11-0.11 0.04) -2302.32  -91.07  0.00 -2388.02 2.74884 52:36
   62  287-0.1330(-0.10-0.11-0.00) -2301.99  -91.29  0.00 -2387.91 2.75395 52:36
   63  287-0.0648(-0.03-0.03 0.04) -2301.92  -91.26  0.00 -2387.80 2.75723 52:36
   64  288-0.1205(-0.07-0.07-0.03) -2301.47  -91.61  0.00 -2387.69 2.76180 52:36
   65  289-0.0269( 0.03 0.03 0.06) -2301.52  -91.47  0.00 -2387.59 2.76351 52:36
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.115 24.042 21.576
       0.00:   0.00:   0.00:                   90.101 90.055120.013
   66  290-0.1426(-0.08-0.08-0.08) -2300.93  -91.99  0.00 -2387.49 2.76868 52:36
   67  291 0.0864( 0.15 0.16 0.15) -2301.46  -91.40  0.00 -2387.41 2.76667 52:36
   68  292-0.2662(-0.18-0.19-0.23) -2300.18  -92.63  0.00 -2387.33 2.77345 52:36
   69  293 0.1963( 0.28 0.28 0.23) -2301.52  -91.25  0.00 -2387.27 2.76958 52:36
   70  294-0.2235(-0.12-0.13-0.23) -2300.10  -92.63  0.00 -2387.21 2.77383 52:36
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.092 24.015 21.543
       0.00:   0.00:   0.00:                   90.113 90.053120.024
   71  295 0.1140( 0.23 0.22 0.09) -2301.11  -91.58  0.00 -2387.17 2.77219 52:36
   72  295-0.0161( 0.13 0.10-0.08) -2300.66  -91.99  0.00 -2387.12 2.77258 52:36
   73  295 0.0769( 0.24 0.21-0.01) -2300.94  -91.66  0.00 -2387.08 2.77147 52:36
   74  295 0.0792( 0.26 0.22-0.05) -2300.96  -91.60  0.00 -2387.03 2.77046 52:37
   75  295 0.1255( 0.34 0.29-0.05) -2301.13  -91.38  0.00 -2386.99 2.76888 52:37
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.126 24.043 21.524
       0.00:   0.00:   0.00:                   90.123 90.051120.013
   76  295 0.1525( 0.39 0.34-0.07) -2301.26  -91.22  0.00 -2386.95 2.76719 52:37
   77  296 0.1948( 0.47 0.40-0.09) -2301.45  -91.01  0.00 -2386.91 2.76531 52:37
   78  297 0.2393( 0.55 0.48-0.11) -2301.65  -90.79  0.00 -2386.88 2.76331 52:37
   79  298 0.2872( 0.64 0.57-0.14) -2301.87  -90.57  0.00 -2386.86 2.76091 52:37
   80  300 0.3113( 0.70 0.63-0.20) -2302.03  -90.44  0.00 -2386.85 2.75830 52:37
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.186 24.098 21.501
       0.00:   0.00:   0.00:                   90.127 90.050119.997
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
   81  301 0.3268( 0.75 0.68-0.25) -2302.16  -90.33  0.00 -2386.86 2.75556 52:37
   82  302 0.3390( 0.80 0.72-0.30) -2302.29  -90.24  0.00 -2386.88 2.75272 52:37
   83  302 0.3506( 0.83 0.76-0.34) -2302.42  -90.14  0.00 -2386.90 2.74978 52:37
   84  301 0.3627( 0.87 0.80-0.38) -2302.56  -90.02  0.00 -2386.93 2.74673 52:37
   85  300 0.3758( 0.90 0.84-0.41) -2302.70  -89.88  0.00 -2386.96 2.74357 52:37
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.276 24.182 21.458
       0.00:   0.00:   0.00:                   90.126 90.050119.984
   86  298 0.3898( 0.93 0.87-0.42) -2302.84  -89.71  0.00 -2386.97 2.74030 52:37
   87  295 0.4033( 0.95 0.89-0.43) -2302.98  -89.51  0.00 -2386.96 2.73690 52:37
   88  293 0.4151( 0.97 0.91-0.43) -2303.12  -89.30  0.00 -2386.93 2.73340 52:37
   89  291 0.4230( 0.98 0.92-0.43) -2303.25  -89.07  0.00 -2386.88 2.72982 52:37
   90  289 0.4252( 0.98 0.92-0.42) -2303.38  -88.86  0.00 -2386.81 2.72566 52:37
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.387 24.288 21.406
       0.00:   0.00:   0.00:                   90.119 90.048119.977
   91  290 0.3717( 0.90 0.84-0.43) -2303.34  -88.82  0.00 -2386.73 2.72180 52:38
   92  291 0.3328( 0.83 0.78-0.41) -2303.37  -88.74  0.00 -2386.66 2.71778 52:38
   93  295 0.2599( 0.70 0.66-0.39) -2303.32  -88.80  0.00 -2386.60 2.71407 52:38
   94  300 0.1880( 0.56 0.54-0.35) -2303.29  -88.89  0.00 -2386.57 2.71087 52:38
   95  306 0.1272( 0.43 0.42-0.27) -2303.33  -88.99  0.00 -2386.59 2.70823 52:38
 Msd:  0.04:O  0.03:S  0.00:   0.00:   0.00:   24.508 24.401 21.338
       0.00:   0.00:   0.00:                   90.096 90.042119.980
   96  312 0.0786( 0.30 0.31-0.19) -2303.43  -89.08  0.00 -2386.66 2.70619 52:38
   97  318 0.0425( 0.20 0.21-0.10) -2303.59  -89.16  0.00 -2386.79 2.70470 52:38
   98  322 0.0178( 0.12 0.14-0.02) -2303.79  -89.23  0.00 -2386.98 2.70369 52:38
   99  325 0.0024( 0.06 0.08 0.05) -2304.02  -89.28  0.00 -2387.21 2.70313 52:38
  100  326-0.0011( 0.03 0.05 0.10) -2304.27  -89.29  0.00 -2387.46 2.70277 52:38
 Msd:  0.04:O  0.03:S  0.00:   0.00:   0.00:   24.543 24.438 21.323
       0.00:   0.00:   0.00:                   90.062 90.028120.002
 -------------------------------------------------------------------------------
 Avr   287-0.0970(-0.02-0.04-0.07) -2305.07  -88.44  0.00 -2388.13 2.66419
 Std    35 0.4582( 0.69 0.69 0.31)     3.48    2.81  0.00     1.87 0.08183
 -------------------------------------------------------------------------------
 Temperatures: O : 294 Si: 272
 -------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  ============
 <<<=====   Quartz                                                       ====>>>
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  101  324-0.0066(-0.01 0.02 0.15) -2304.49  -89.30  0.00 -2387.71 2.70261 52:38
  102  321-0.0095(-0.04-0.01 0.20) -2304.68  -89.29  0.00 -2387.95 2.70254 52:38
  103  316-0.0140(-0.08-0.04 0.27) -2304.81  -89.26  0.00 -2388.15 2.70256 52:38
  104  310-0.0171(-0.12-0.08 0.34) -2304.91  -89.21  0.00 -2388.31 2.70262 52:38
  105  304-0.0214(-0.17-0.13 0.42) -2304.96  -89.14  0.00 -2388.40 2.70272 52:38
 Msd:  0.04:O  0.03:S  0.00:   0.00:   0.00:   24.514 24.416 21.370
       0.00:   0.00:   0.00:                   90.054 90.020120.010
  106  298-0.0271(-0.23-0.18 0.51) -2304.96  -89.08  0.00 -2388.45 2.70287 52:38
  107  293-0.0355(-0.29-0.24 0.60) -2304.92  -89.01  0.00 -2388.43 2.70307 52:38
  108  289-0.0479(-0.36-0.30 0.70) -2304.83  -88.97  0.00 -2388.37 2.70336 52:39
  109  286-0.0642(-0.44-0.37 0.80) -2304.70  -88.95  0.00 -2388.28 2.70377 52:39
  110  285-0.0820(-0.51-0.43 0.89) -2304.56  -88.95  0.00 -2388.17 2.70434 52:39
 Msd:  0.03:O  0.03:S  0.00:   0.00:   0.00:   24.462 24.371 21.442
       0.00:   0.00:   0.00:                   90.054 90.017120.010
  111  285-0.1012(-0.58-0.48 0.95) -2304.40  -88.98  0.00 -2388.05 2.70508 52:39
  112  286-0.1210(-0.64-0.53 1.00) -2304.24  -89.04  0.00 -2387.93 2.70599 52:39
  113  287-0.1394(-0.69-0.57 1.03) -2304.09  -89.12  0.00 -2387.82 2.70707 52:39
  114  289-0.1545(-0.72-0.60 1.05) -2303.95  -89.20  0.00 -2387.73 2.70829 52:39
  115  291-0.1642(-0.74-0.61 1.06) -2303.83  -89.29  0.00 -2387.66 2.70961 52:39
 Msd:  0.03:O  0.03:S  0.00:   0.00:   0.00:   24.375 24.297 21.543
       0.00:   0.00:   0.00:                   90.057 90.020120.015
  116  292-0.1673(-0.73-0.61 1.05) -2303.73  -89.35  0.00 -2387.61 2.71105 52:39
  117  293-0.1566(-0.69-0.58 1.02) -2303.68  -89.37  0.00 -2387.56 2.71265 52:39
  118  293-0.1239(-0.61-0.51 0.96) -2303.71  -89.31  0.00 -2387.53 2.71415 52:39
  119  292-0.0855(-0.49-0.42 0.87) -2303.75  -89.21  0.00 -2387.49 2.71541 52:39
  120  290-0.0513(-0.36-0.32 0.74) -2303.78  -89.10  0.00 -2387.44 2.71637 52:39
 Msd:  0.03:O  0.03:S  0.00:   0.00:   0.00:   24.268 24.204 21.668
       0.00:   0.00:   0.00:                   90.062 90.030120.023
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  121  289-0.0245(-0.23-0.22 0.60) -2303.77  -89.00  0.00 -2387.36 2.71701 52:39
  122  287-0.0057(-0.11-0.13 0.46) -2303.74  -88.91  0.00 -2387.27 2.71736 52:39
  123  286 0.0067(-0.02-0.06 0.33) -2303.69  -88.84  0.00 -2387.16 2.71745 52:39
  124  286 0.0137( 0.05 0.00 0.22) -2303.62  -88.78  0.00 -2387.04 2.71732 52:40
  125  287 0.0171( 0.10 0.05 0.14) -2303.55  -88.75  0.00 -2386.92 2.71704 52:40
 Msd:  0.03:O  0.03:S  0.00:   0.00:   0.00:   24.227 24.157 21.742
       0.00:   0.00:   0.00:                   90.059 90.050120.020
  126  289 0.0197( 0.13 0.08 0.10) -2303.49  -88.73  0.00 -2386.80 2.71662 52:40
  127  293 0.0201( 0.15 0.09 0.06) -2303.45  -88.74  0.00 -2386.71 2.71620 52:40
  128  297 0.0290( 0.17 0.12 0.04) -2303.47  -88.75  0.00 -2386.65 2.71560 52:40
  129  302 0.0295( 0.19 0.14 0.00) -2303.49  -88.80  0.00 -2386.63 2.71505 52:40
  130  308 0.0406( 0.22 0.17-0.03) -2303.59  -88.84  0.00 -2386.66 2.71437 52:40
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.251 24.168 21.731
       0.00:   0.00:   0.00:                   90.046 90.065120.015
  131  313 0.0475( 0.25 0.20-0.07) -2303.70  -88.91  0.00 -2386.75 2.71368 52:40
  132  318 0.0612( 0.29 0.25-0.11) -2303.88  -88.97  0.00 -2386.89 2.71290 52:40
  133  321 0.0778( 0.33 0.30-0.15) -2304.08  -89.01  0.00 -2387.07 2.71203 52:40
  134  324 0.1003( 0.38 0.36-0.19) -2304.33  -89.02  0.00 -2387.29 2.71107 52:40
  135  325 0.1290( 0.43 0.43-0.23) -2304.61  -89.00  0.00 -2387.53 2.71001 52:40
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.289 24.204 21.699
       0.00:   0.00:   0.00:                   90.038 90.073120.013
  136  324 0.1649( 0.50 0.51-0.27) -2304.92  -88.94  0.00 -2387.78 2.70865 52:40
  137  323 0.1930( 0.55 0.58-0.30) -2305.19  -88.87  0.00 -2388.02 2.70707 52:40
  138  320 0.2189( 0.59 0.63-0.32) -2305.45  -88.79  0.00 -2388.25 2.70527 52:40
  139  317 0.2437( 0.63 0.68-0.33) -2305.69  -88.69  0.00 -2388.45 2.70327 52:40
  140  313 0.2666( 0.66 0.73-0.34) -2305.91  -88.57  0.00 -2388.62 2.70109 52:40
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.351 24.272 21.655
       0.00:   0.00:   0.00:                   90.034 90.080120.017
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  141  309 0.2870( 0.68 0.76-0.34) -2306.09  -88.44  0.00 -2388.74 2.69875 52:41
  142  305 0.3039( 0.70 0.79-0.33) -2306.23  -88.31  0.00 -2388.83 2.69627 52:41
  143  301 0.3173( 0.71 0.81-0.32) -2306.34  -88.19  0.00 -2388.89 2.69369 52:41
  144  298 0.3266( 0.71 0.82-0.31) -2306.41  -88.07  0.00 -2388.90 2.69104 52:41
  145  295 0.3323( 0.72 0.82-0.29) -2306.46  -87.97  0.00 -2388.89 2.68835 52:41
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.429 24.360 21.611
       0.00:   0.00:   0.00:                   90.035 90.083120.024
  146  293 0.3349( 0.72 0.82-0.28) -2306.47  -87.89  0.00 -2388.86 2.68522 52:41
  147  292 0.2993( 0.67 0.76-0.29) -2306.35  -87.94  0.00 -2388.81 2.68228 52:41
  148  291 0.2799( 0.64 0.72-0.27) -2306.27  -87.94  0.00 -2388.75 2.67911 52:41
  149  290 0.2399( 0.58 0.65-0.26) -2306.11  -88.01  0.00 -2388.68 2.67597 52:41
  150  290 0.2030( 0.52 0.57-0.24) -2305.96  -88.06  0.00 -2388.60 2.67289 52:41
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.527 24.468 21.555
       0.00:   0.00:   0.00:                   90.043 90.077120.027
  151  289 0.1732( 0.47 0.50-0.20) -2305.84  -88.09  0.00 -2388.52 2.66985 52:41
  152  288 0.1488( 0.42 0.43-0.16) -2305.73  -88.09  0.00 -2388.42 2.66680 52:41
  153  286 0.1278( 0.37 0.37-0.11) -2305.63  -88.06  0.00 -2388.32 2.66375 52:41
  154  285 0.1096( 0.32 0.31-0.07) -2305.54  -88.01  0.00 -2388.20 2.66068 52:41
  155  284 0.0928( 0.28 0.27-0.04) -2305.45  -87.93  0.00 -2388.07 2.65761 52:41
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.629 24.570 21.496
       0.00:   0.00:   0.00:                   90.056 90.063120.012
  156  282 0.0779( 0.24 0.23-0.01) -2305.38  -87.84  0.00 -2387.93 2.65454 52:41
  157  281 0.0635( 0.21 0.20 0.01) -2305.31  -87.74  0.00 -2387.77 2.65169 52:41
  158  281 0.0639( 0.20 0.19 0.04) -2305.29  -87.58  0.00 -2387.60 2.64877 52:42
  159  282 0.0523( 0.18 0.18 0.03) -2305.25  -87.47  0.00 -2387.44 2.64627 52:42
  160  283 0.0669( 0.19 0.19 0.06) -2305.30  -87.28  0.00 -2387.27 2.64331 52:42
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.706 24.647 21.473
       0.00:   0.00:   0.00:                   90.052 90.052119.990
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  161  286 0.0267( 0.14 0.15 0.03) -2305.19  -87.30  0.00 -2387.12 2.64175 52:42
  162  290 0.0908( 0.19 0.20 0.11) -2305.44  -86.99  0.00 -2387.00 2.63819 52:42
  163  295-0.0401( 0.06 0.07-0.02) -2305.07  -87.37  0.00 -2386.91 2.63895 52:42
  164  300 0.1811( 0.26 0.29 0.22) -2305.90  -86.59  0.00 -2386.87 2.63394 52:42
  165  305-0.1198(-0.04-0.01-0.07) -2305.00  -87.59  0.00 -2386.87 2.63620 52:42
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.736 24.686 21.468
       0.00:   0.00:   0.00:                   90.043 90.045119.978
  166  310 0.1880( 0.25 0.29 0.26) -2306.18  -86.57  0.00 -2386.94 2.63228 52:42
  167  314-0.0576(-0.02 0.04 0.04) -2305.51  -87.41  0.00 -2387.04 2.63289 52:42
  168  317 0.0761( 0.10 0.16 0.21) -2306.13  -86.98  0.00 -2387.18 2.63151 52:42
  169  318 0.0272( 0.02 0.09 0.20) -2306.15  -87.16  0.00 -2387.35 2.63077 52:42
  170  318 0.0279( 0.00 0.07 0.24) -2306.33  -87.16  0.00 -2387.53 2.63011 52:42
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.742 24.706 21.495
       0.00:   0.00:   0.00:                   90.036 90.041119.977
  171  317 0.0332(-0.02 0.06 0.30) -2306.53  -87.13  0.00 -2387.71 2.62947 52:42
  172  316 0.0401(-0.04 0.04 0.36) -2306.72  -87.07  0.00 -2387.88 2.62886 52:42
  173  314 0.0485(-0.07 0.02 0.44) -2306.91  -87.01  0.00 -2388.03 2.62826 52:42
  174  312 0.0580(-0.10-0.01 0.52) -2307.09  -86.92  0.00 -2388.17 2.62763 52:42
  175  310 0.0622(-0.13-0.04 0.60) -2307.24  -86.86  0.00 -2388.28 2.62697 52:43
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.726 24.701 21.539
       0.00:   0.00:   0.00:                   90.029 90.041119.980
  176  309 0.0613(-0.17-0.07 0.67) -2307.37  -86.81  0.00 -2388.39 2.62634 52:43
  177  308 0.0578(-0.20-0.11 0.73) -2307.47  -86.79  0.00 -2388.48 2.62575 52:43
  178  308 0.0529(-0.23-0.15 0.79) -2307.56  -86.77  0.00 -2388.57 2.62521 52:43
  179  307 0.0479(-0.25-0.19 0.83) -2307.65  -86.77  0.00 -2388.65 2.62472 52:43
  180  307 0.0440(-0.27-0.21 0.87) -2307.72  -86.76  0.00 -2388.73 2.62427 52:43
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.691 24.675 21.616
       0.00:   0.00:   0.00:                   90.023 90.042119.987
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  181  306 0.0427(-0.28-0.24 0.89) -2307.79  -86.75  0.00 -2388.81 2.62384 52:43
  182  304 0.0452(-0.28-0.25 0.91) -2307.85  -86.73  0.00 -2388.88 2.62339 52:43
  183  302 0.0526(-0.26-0.25 0.92) -2307.91  -86.68  0.00 -2388.93 2.62288 52:43
  184  299 0.0652(-0.24-0.24 0.93) -2307.97  -86.59  0.00 -2388.96 2.62224 52:43
  185  295 0.0803(-0.21-0.21 0.91) -2308.01  -86.48  0.00 -2388.96 2.62135 52:43
 Msd:  0.02:O  0.02:S  0.00:   0.00:   0.00:   24.649 24.636 21.712
       0.00:   0.00:   0.00:                   90.018 90.042119.988
  186  291 0.0906(-0.16-0.18 0.87) -2308.02  -86.36  0.00 -2388.93 2.62020 52:43
  187  286 0.0972(-0.11-0.14 0.79) -2307.99  -86.22  0.00 -2388.85 2.61878 52:43
  188  282 0.1000(-0.06-0.09 0.70) -2307.94  -86.08  0.00 -2388.73 2.61709 52:43
  189  278 0.0989(-0.00-0.04 0.59) -2307.86  -85.94  0.00 -2388.58 2.61516 52:43
  190  276 0.0944( 0.05 0.01 0.48) -2307.76  -85.80  0.00 -2388.39 2.61303 52:43
 Msd:  0.02:O  0.02:S  0.00:   0.00:   0.00:   24.619 24.602 21.835
       0.00:   0.00:   0.00:                   90.007 90.042119.976
  191  274 0.0878( 0.09 0.06 0.37) -2307.65  -85.66  0.00 -2388.18 2.61094 52:43
  192  274 0.0982( 0.13 0.11 0.31) -2307.61  -85.48  0.00 -2387.95 2.60878 52:44
  193  276 0.1109( 0.17 0.15 0.27) -2307.59  -85.30  0.00 -2387.72 2.60651 52:44
  194  279 0.1202( 0.20 0.18 0.24) -2307.57  -85.16  0.00 -2387.51 2.60422 52:44
  195  283 0.1298( 0.22 0.21 0.21) -2307.59  -85.03  0.00 -2387.32 2.60190 52:44
 Msd:  0.02:O  0.02:S  0.00:   0.00:   0.00:   24.641 24.620 21.890
       0.00:   0.00:   0.00:                   90.000 90.039119.965
  196  288 0.1377( 0.24 0.24 0.19) -2307.63  -84.94  0.00 -2387.17 2.59959 52:44
  197  293 0.1458( 0.26 0.26 0.16) -2307.70  -84.86  0.00 -2387.07 2.59729 52:44
  198  297 0.1540( 0.27 0.29 0.14) -2307.79  -84.79  0.00 -2387.01 2.59501 52:44
  199  301 0.1630( 0.29 0.32 0.12) -2307.90  -84.72  0.00 -2386.99 2.59274 52:44
  200  303 0.1732( 0.31 0.35 0.10) -2308.03  -84.65  0.00 -2387.00 2.59046 52:44
 Msd:  0.02:O  0.02:S  0.00:   0.00:   0.00:   24.688 24.667 21.905
       0.00:   0.00:   0.00:                   90.003 90.029119.970
 -------------------------------------------------------------------------------
 Avr   298 0.0695( 0.06 0.09 0.28) -2305.73  -87.73  0.00 -2387.88 2.66631
 Std    13 0.1162( 0.37 0.36 0.43)     1.49    1.31  0.00     0.70 0.04168
 -------------------------------------------------------------------------------
 Temperatures: O : 301 Si: 292
 -------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  ============
 <<<=====   Quartz                                                       ====>>>
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  201  304 0.1847( 0.34 0.38 0.08) -2308.18  -84.57  0.00 -2387.04 2.58839 52:44
  202  305 0.2154( 0.38 0.43 0.08) -2308.39  -84.41  0.00 -2387.09 2.58632 52:44
  203  304 0.2477( 0.43 0.49 0.07) -2308.60  -84.23  0.00 -2387.14 2.58428 52:44
  204  303 0.2825( 0.48 0.54 0.07) -2308.82  -84.04  0.00 -2387.18 2.58217 52:44
  205  302 0.3102( 0.53 0.59 0.05) -2309.01  -83.86  0.00 -2387.21 2.57986 52:44
 Msd:  0.02:O  0.02:S  0.00:   0.00:   0.00:   24.740 24.721 21.903
       0.00:   0.00:   0.00:                   90.010 90.019119.980
  206  301 0.3162( 0.56 0.61 0.02) -2309.11  -83.75  0.00 -2387.23 2.57753 52:44
  207  300 0.3115( 0.57 0.61-0.01) -2309.17  -83.69  0.00 -2387.24 2.57524 52:44
  208  300 0.2993( 0.57 0.61-0.04) -2309.20  -83.67  0.00 -2387.25 2.57305 52:44
  209  300 0.2808( 0.56 0.59-0.08) -2309.21  -83.68  0.00 -2387.26 2.57090 52:45
  210  302 0.2480( 0.54 0.56-0.12) -2309.17  -83.76  0.00 -2387.27 2.56893 52:45
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.802 24.783 21.888
       0.00:   0.00:   0.00:                   90.020 90.010119.988
  211  303 0.2091( 0.50 0.52-0.16) -2309.10  -83.88  0.00 -2387.30 2.56720 52:45
  212  305 0.1688( 0.46 0.47-0.19) -2309.02  -84.02  0.00 -2387.33 2.56575 52:45
  213  306 0.1295( 0.42 0.42-0.21) -2308.95  -84.18  0.00 -2387.39 2.56460 52:45
  214  307 0.0930( 0.37 0.37-0.22) -2308.88  -84.34  0.00 -2387.46 2.56375 52:45
  215  308 0.0602( 0.33 0.32-0.23) -2308.81  -84.50  0.00 -2387.54 2.56319 52:45
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.855 24.832 21.847
       0.00:   0.00:   0.00:                   90.030 90.002119.989
  216  308 0.0317( 0.29 0.28-0.23) -2308.75  -84.65  0.00 -2387.62 2.56291 52:45
  217  307 0.0076( 0.25 0.24-0.23) -2308.69  -84.78  0.00 -2387.71 2.56287 52:45
  218  306-0.0127( 0.21 0.21-0.22) -2308.62  -84.90  0.00 -2387.79 2.56311 52:45
  219  304-0.0258( 0.18 0.18-0.19) -2308.56  -84.99  0.00 -2387.85 2.56358 52:45
  220  302-0.0343( 0.15 0.15-0.17) -2308.50  -85.06  0.00 -2387.90 2.56425 52:45
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.885 24.863 21.784
       0.00:   0.00:   0.00:                   90.031 90.005119.989
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  221  300-0.0402( 0.12 0.13-0.14) -2308.43  -85.11  0.00 -2387.92 2.56513 52:45
  222  298-0.0440( 0.10 0.11-0.11) -2308.35  -85.15  0.00 -2387.93 2.56621 52:45
  223  295-0.0470( 0.09 0.09-0.08) -2308.25  -85.19  0.00 -2387.91 2.56749 52:45
  224  294-0.0484( 0.07 0.08-0.06) -2308.15  -85.23  0.00 -2387.88 2.56871 52:45
  225  292-0.0728( 0.04 0.05-0.07) -2307.94  -85.35  0.00 -2387.82 2.57036 52:45
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.887 24.876 21.719
       0.00:   0.00:   0.00:                   90.011 90.026119.989
  226  291-0.0779( 0.03 0.05-0.08) -2307.79  -85.42  0.00 -2387.76 2.57186 52:46
  227  290-0.1131(-0.01 0.03-0.12) -2307.53  -85.59  0.00 -2387.68 2.57382 52:46
  228  290-0.1271(-0.02 0.02-0.13) -2307.33  -85.71  0.00 -2387.60 2.57572 52:46
  229  291-0.1625(-0.07-0.01-0.17) -2307.05  -85.91  0.00 -2387.52 2.57785 52:46
  230  291-0.1929(-0.10-0.04-0.19) -2306.79  -86.11  0.00 -2387.45 2.58006 52:46
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.862 24.864 21.671
       0.00:   0.00:   0.00:                   89.993 90.036119.997
  231  292-0.2296(-0.15-0.07-0.22) -2306.51  -86.34  0.00 -2387.37 2.58235 52:46
  232  293-0.2689(-0.20-0.11-0.25) -2306.22  -86.58  0.00 -2387.31 2.58470 52:46
  233  294-0.3106(-0.26-0.16-0.27) -2305.93  -86.84  0.00 -2387.26 2.58705 52:46
  234  295-0.3540(-0.32-0.21-0.28) -2305.63  -87.10  0.00 -2387.21 2.58963 52:46
  235  295-0.3776(-0.37-0.24-0.27) -2305.42  -87.29  0.00 -2387.18 2.59239 52:46
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.820 24.835 21.633
       0.00:   0.00:   0.00:                   89.982 90.037120.009
  236  295-0.3811(-0.39-0.27-0.23) -2305.28  -87.40  0.00 -2387.15 2.59517 52:46
  237  296-0.3748(-0.41-0.29-0.18) -2305.19  -87.47  0.00 -2387.12 2.59791 52:46
  238  296-0.3626(-0.42-0.30-0.11) -2305.13  -87.51  0.00 -2387.09 2.60055 52:46
  239  296-0.3468(-0.42-0.32-0.05) -2305.08  -87.52  0.00 -2387.06 2.60307 52:46
  240  296-0.3284(-0.42-0.33 0.02) -2305.05  -87.52  0.00 -2387.04 2.60557 52:46
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.764 24.789 21.615
       0.00:   0.00:   0.00:                   89.972 90.035120.021
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  241  296-0.2985(-0.40-0.34 0.10) -2305.08  -87.47  0.00 -2387.01 2.60771 52:46
  242  296-0.2847(-0.40-0.36 0.16) -2305.05  -87.48  0.00 -2386.98 2.60975 52:47
  243  297-0.2659(-0.40-0.37 0.22) -2305.06  -87.47  0.00 -2386.96 2.61165 52:47
  244  298-0.2450(-0.38-0.37 0.27) -2305.09  -87.45  0.00 -2386.95 2.61338 52:47
  245  300-0.2227(-0.36-0.37 0.32) -2305.13  -87.43  0.00 -2386.94 2.61502 52:47
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.707 24.736 21.632
       0.00:   0.00:   0.00:                   89.967 90.030120.019
  246  302-0.1921(-0.33-0.35 0.37) -2305.22  -87.38  0.00 -2386.96 2.61649 52:47
  247  303-0.1591(-0.29-0.33 0.40) -2305.34  -87.33  0.00 -2386.99 2.61774 52:47
  248  305-0.1254(-0.25-0.29 0.43) -2305.48  -87.26  0.00 -2387.03 2.61874 52:47
  249  306-0.0919(-0.21-0.25 0.44) -2305.63  -87.19  0.00 -2387.08 2.61947 52:47
  250  306-0.0587(-0.16-0.20 0.44) -2305.79  -87.10  0.00 -2387.15 2.61991 52:47
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.658 24.683 21.678
       0.00:   0.00:   0.00:                   89.966 90.022120.004
  251  307-0.0267(-0.11-0.15 0.44) -2305.97  -87.00  0.00 -2387.22 2.62004 52:47
  252  306 0.0042(-0.06-0.08 0.42) -2306.16  -86.88  0.00 -2387.29 2.61978 52:47
  253  306 0.0264(-0.02-0.02 0.38) -2306.32  -86.77  0.00 -2387.36 2.61914 52:47
  254  305 0.0404( 0.01 0.03 0.34) -2306.47  -86.67  0.00 -2387.42 2.61816 52:47
  255  304 0.0482( 0.04 0.07 0.29) -2306.60  -86.57  0.00 -2387.47 2.61690 52:47
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.633 24.659 21.742
       0.00:   0.00:   0.00:                   89.971 90.009119.988
  256  304 0.0515( 0.07 0.10 0.24) -2306.73  -86.48  0.00 -2387.52 2.61553 52:47
  257  303 0.0634( 0.10 0.14 0.21) -2306.89  -86.34  0.00 -2387.55 2.61400 52:47
  258  303 0.0753( 0.12 0.16 0.20) -2307.05  -86.21  0.00 -2387.58 2.61232 52:47
  259  303 0.0853( 0.14 0.18 0.19) -2307.21  -86.08  0.00 -2387.62 2.61055 52:48
  260  304 0.0951( 0.16 0.20 0.18) -2307.38  -85.96  0.00 -2387.65 2.60870 52:48
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.648 24.681 21.779
       0.00:   0.00:   0.00:                   89.978 89.993119.993
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  261  304 0.1035( 0.18 0.21 0.17) -2307.54  -85.85  0.00 -2387.69 2.60682 52:48
  262  305 0.1118( 0.20 0.22 0.16) -2307.69  -85.75  0.00 -2387.73 2.60491 52:48
  263  305 0.1194( 0.22 0.23 0.16) -2307.84  -85.65  0.00 -2387.78 2.60299 52:48
  264  304 0.1271( 0.24 0.24 0.15) -2307.98  -85.55  0.00 -2387.82 2.60107 52:48
  265  303 0.1347( 0.26 0.25 0.14) -2308.11  -85.44  0.00 -2387.87 2.59915 52:48
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.685 24.716 21.797
       0.00:   0.00:   0.00:                   89.983 89.981120.000
  266  302 0.1422( 0.29 0.26 0.13) -2308.23  -85.34  0.00 -2387.90 2.59723 52:48
  267  300 0.1494( 0.31 0.27 0.12) -2308.33  -85.22  0.00 -2387.93 2.59531 52:48
  268  298 0.1557( 0.32 0.27 0.11) -2308.41  -85.11  0.00 -2387.93 2.59342 52:48
  269  296 0.1606( 0.34 0.28 0.10) -2308.48  -84.99  0.00 -2387.92 2.59156 52:48
  270  294 0.1640( 0.35 0.29 0.09) -2308.52  -84.88  0.00 -2387.88 2.58975 52:48
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.731 24.753 21.802
       0.00:   0.00:   0.00:                   89.988 89.974119.994
  271  293 0.1649( 0.35 0.30 0.08) -2308.55  -84.78  0.00 -2387.84 2.58802 52:48
  272  292 0.1632( 0.35 0.30 0.07) -2308.56  -84.68  0.00 -2387.77 2.58653 52:48
  273  291 0.1716( 0.36 0.32 0.07) -2308.59  -84.56  0.00 -2387.70 2.58518 52:48
  274  291 0.1773( 0.37 0.33 0.06) -2308.61  -84.46  0.00 -2387.62 2.58385 52:48
  275  291 0.1684( 0.36 0.33 0.04) -2308.58  -84.41  0.00 -2387.54 2.58252 52:48
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.768 24.785 21.800
       0.00:   0.00:   0.00:                   89.994 89.971119.987
  276  291 0.1414( 0.33 0.31 0.01) -2308.48  -84.44  0.00 -2387.46 2.58136 52:49
  277  292 0.1083( 0.29 0.28-0.02) -2308.35  -84.50  0.00 -2387.39 2.58044 52:49
  278  293 0.0738( 0.25 0.24-0.05) -2308.22  -84.58  0.00 -2387.32 2.57981 52:49
  279  293 0.0401( 0.21 0.21-0.08) -2308.07  -84.68  0.00 -2387.25 2.57947 52:49
  280  294 0.0078( 0.17 0.17-0.10) -2307.93  -84.78  0.00 -2387.20 2.57946 52:49
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.793 24.809 21.782
       0.00:   0.00:   0.00:                   89.999 89.970119.984
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  281  295-0.0225( 0.13 0.14-0.11) -2307.79  -84.89  0.00 -2387.15 2.57976 52:49
  282  296-0.0506( 0.09 0.10-0.13) -2307.66  -85.02  0.00 -2387.12 2.58040 52:49
  283  297-0.0764( 0.05 0.07-0.13) -2307.52  -85.14  0.00 -2387.09 2.58118 52:49
  284  298-0.1145( 0.01 0.03-0.16) -2307.34  -85.33  0.00 -2387.08 2.58217 52:49
  285  299-0.1600(-0.04-0.02-0.19) -2307.14  -85.55  0.00 -2387.07 2.58341 52:49
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.791 24.808 21.752
       0.00:   0.00:   0.00:                   90.001 89.970119.986
  286  300-0.2087(-0.10-0.08-0.23) -2306.91  -85.79  0.00 -2387.07 2.58500 52:49
  287  301-0.2496(-0.15-0.12-0.26) -2306.71  -86.01  0.00 -2387.09 2.58689 52:49
  288  302-0.2868(-0.19-0.17-0.28) -2306.52  -86.23  0.00 -2387.11 2.58905 52:49
  289  302-0.3219(-0.24-0.21-0.30) -2306.34  -86.45  0.00 -2387.13 2.59148 52:49
  290  303-0.3548(-0.28-0.25-0.31) -2306.16  -86.67  0.00 -2387.17 2.59414 52:49
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.760 24.779 21.716
       0.00:   0.00:   0.00:                   89.999 89.967119.989
  291  303-0.3857(-0.32-0.29-0.32) -2305.99  -86.90  0.00 -2387.20 2.59704 52:49
  292  303-0.4146(-0.37-0.32-0.33) -2305.81  -87.12  0.00 -2387.25 2.60015 52:49
  293  304-0.4413(-0.40-0.36-0.34) -2305.64  -87.34  0.00 -2387.29 2.60348 52:50
  294  304-0.4655(-0.44-0.39-0.34) -2305.47  -87.57  0.00 -2387.35 2.60699 52:50
  295  304-0.4872(-0.47-0.41-0.35) -2305.31  -87.79  0.00 -2387.40 2.61069 52:50
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.704 24.727 21.673
       0.00:   0.00:   0.00:                   89.995 89.962119.993
  296  305-0.5061(-0.50-0.44-0.35) -2305.15  -88.01  0.00 -2387.46 2.61454 52:50
  297  305-0.5219(-0.52-0.46-0.36) -2305.00  -88.23  0.00 -2387.52 2.61853 52:50
  298  305-0.5344(-0.54-0.47-0.36) -2304.85  -88.44  0.00 -2387.59 2.62263 52:50
  299  305-0.5435(-0.55-0.48-0.36) -2304.72  -88.65  0.00 -2387.66 2.62681 52:50
  300  304-0.5489(-0.56-0.49-0.36) -2304.58  -88.84  0.00 -2387.72 2.63105 52:50
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.632 24.660 21.628
       0.00:   0.00:   0.00:                   89.995 89.955119.998
 -------------------------------------------------------------------------------
 Avr   300-0.0653( 0.03 0.05-0.03) -2307.17  -85.85  0.00 -2387.41 2.59183
 Std     5 0.2316( 0.32 0.30 0.22)     1.42    1.32  0.00     0.30 0.01844
 -------------------------------------------------------------------------------
 Temperatures: O : 290 Si: 319
 -------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  ============
 <<<=====   Quartz                                                       ====>>>
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  301  304-0.5503(-0.56-0.50-0.36) -2304.46  -89.02  0.00 -2387.78 2.63531 52:50
  302  303-0.5476(-0.55-0.50-0.36) -2304.34  -89.18  0.00 -2387.84 2.63976 52:50
  303  302-0.5227(-0.52-0.48-0.33) -2304.29  -89.26  0.00 -2387.89 2.64469 52:50
  304  301-0.4494(-0.44-0.42-0.26) -2304.40  -89.17  0.00 -2387.93 2.64959 52:50
  305  299-0.3684(-0.35-0.34-0.18) -2304.53  -89.04  0.00 -2387.96 2.65422 52:50
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.550 24.581 21.579
       0.00:   0.00:   0.00:                   89.998 89.946119.996
  306  297-0.2982(-0.26-0.28-0.12) -2304.61  -88.94  0.00 -2387.97 2.65853 52:50
  307  295-0.2414(-0.20-0.22-0.07) -2304.63  -88.87  0.00 -2387.96 2.66254 52:50
  308  293-0.1956(-0.15-0.18-0.03) -2304.61  -88.82  0.00 -2387.93 2.66626 52:50
  309  291-0.1588(-0.10-0.14 0.00) -2304.55  -88.80  0.00 -2387.88 2.66970 52:51
  310  289-0.1288(-0.07-0.10 0.02) -2304.46  -88.78  0.00 -2387.81 2.67290 52:51
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.480 24.505 21.552
       0.00:   0.00:   0.00:                   89.997 89.939119.973
  311  288-0.1048(-0.05-0.07 0.04) -2304.35  -88.78  0.00 -2387.73 2.67586 52:51
  312  287-0.0846(-0.03-0.04 0.05) -2304.23  -88.78  0.00 -2387.63 2.67858 52:51
  313  287-0.0689(-0.01-0.02 0.06) -2304.10  -88.80  0.00 -2387.52 2.68100 52:51
  314  288-0.0635(-0.00-0.01 0.06) -2303.95  -88.86  0.00 -2387.41 2.68327 52:51
  315  289-0.0557( 0.00 0.00 0.06) -2303.83  -88.91  0.00 -2387.31 2.68528 52:51
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.426 24.452 21.544
       0.00:   0.00:   0.00:                   89.978 89.948119.960
  316  291-0.0536( 0.00 0.01 0.07) -2303.70  -88.98  0.00 -2387.22 2.68726 52:51
  317  294-0.0362( 0.02 0.03 0.08) -2303.66  -89.00  0.00 -2387.15 2.68859 52:51
  318  296-0.0556( 0.00 0.01 0.06) -2303.51  -89.14  0.00 -2387.10 2.69046 52:51
  319  298-0.0072( 0.05 0.06 0.11) -2303.61  -89.05  0.00 -2387.07 2.69069 52:51
  320  300-0.0783(-0.02-0.01 0.03) -2303.33  -89.34  0.00 -2387.06 2.69316 52:51
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.390 24.422 21.544
       0.00:   0.00:   0.00:                   89.950 89.964119.985
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  321  301 0.0707( 0.12 0.14 0.18) -2303.80  -88.90  0.00 -2387.07 2.69123 52:51
  322  301-0.1352(-0.08-0.06-0.03) -2303.12  -89.60  0.00 -2387.08 2.69444 52:51
  323  301 0.1318( 0.18 0.21 0.24) -2304.00  -88.73  0.00 -2387.10 2.69177 52:51
  324  300-0.0846(-0.03 0.00 0.01) -2303.30  -89.43  0.00 -2387.10 2.69327 52:51
  325  299 0.0881( 0.14 0.18 0.18) -2303.89  -88.83  0.00 -2387.11 2.69195 52:51
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.388 24.427 21.557
       0.00:   0.00:   0.00:                   89.931 89.974120.012
  326  299 0.0388( 0.10 0.14 0.12) -2303.76  -88.94  0.00 -2387.11 2.69128 52:52
  327  299 0.0683( 0.14 0.17 0.13) -2303.90  -88.79  0.00 -2387.10 2.69026 52:52
  328  299 0.0854( 0.16 0.20 0.13) -2304.01  -88.67  0.00 -2387.08 2.68904 52:52
  329  300 0.1008( 0.18 0.23 0.13) -2304.13  -88.56  0.00 -2387.08 2.68767 52:52
  330  301 0.1153( 0.21 0.26 0.12) -2304.27  -88.45  0.00 -2387.08 2.68617 52:52
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.407 24.453 21.568
       0.00:   0.00:   0.00:                   89.919 89.983120.033
  331  303 0.1288( 0.24 0.28 0.11) -2304.43  -88.35  0.00 -2387.10 2.68459 52:52
  332  305 0.1413( 0.26 0.30 0.10) -2304.60  -88.25  0.00 -2387.13 2.68294 52:52
  333  307 0.1532( 0.29 0.32 0.08) -2304.78  -88.15  0.00 -2387.18 2.68124 52:52
  334  308 0.1644( 0.32 0.33 0.07) -2304.98  -88.06  0.00 -2387.26 2.67967 52:52
  335  309 0.1892( 0.37 0.36 0.07) -2305.23  -87.91  0.00 -2387.34 2.67812 52:52
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.442 24.492 21.569
       0.00:   0.00:   0.00:                   89.915 89.989120.041
  336  310 0.2162( 0.42 0.39 0.07) -2305.49  -87.75  0.00 -2387.44 2.67642 52:52
  337  310 0.2317( 0.46 0.40 0.06) -2305.71  -87.63  0.00 -2387.54 2.67461 52:52
  338  309 0.2364( 0.49 0.40 0.05) -2305.89  -87.54  0.00 -2387.63 2.67277 52:52
  339  308 0.2365( 0.51 0.40 0.04) -2306.04  -87.45  0.00 -2387.72 2.67094 52:52
  340  306 0.2338( 0.52 0.39 0.03) -2306.17  -87.37  0.00 -2387.80 2.66914 52:52
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.488 24.530 21.565
       0.00:   0.00:   0.00:                   89.915 89.992120.033
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  341  305 0.2286( 0.52 0.38 0.02) -2306.27  -87.30  0.00 -2387.86 2.66738 52:52
  342  303 0.2207( 0.51 0.37 0.02) -2306.35  -87.24  0.00 -2387.91 2.66560 52:52
  343  302 0.2029( 0.48 0.35 0.01) -2306.38  -87.21  0.00 -2387.94 2.66390 52:53
  344  300 0.1811( 0.45 0.32 0.00) -2306.38  -87.20  0.00 -2387.96 2.66231 52:53
  345  299 0.1580( 0.40 0.30 0.00) -2306.37  -87.21  0.00 -2387.97 2.66086 52:53
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.536 24.565 21.556
       0.00:   0.00:   0.00:                   89.921 89.990120.016
  346  298 0.1348( 0.36 0.27 0.00) -2306.34  -87.22  0.00 -2387.96 2.65946 52:53
  347  298 0.1011( 0.29 0.23 0.00) -2306.26  -87.27  0.00 -2387.95 2.65837 52:53
  348  298 0.0819( 0.24 0.21 0.02) -2306.23  -87.28  0.00 -2387.94 2.65738 52:53
  349  297 0.0574( 0.19 0.18 0.03) -2306.17  -87.32  0.00 -2387.92 2.65663 52:53
  350  297 0.0403( 0.14 0.15 0.05) -2306.13  -87.34  0.00 -2387.90 2.65608 52:53
 Msd:  0.03:O  0.03:S  0.00:   0.00:   0.00:   24.568 24.588 21.545
       0.00:   0.00:   0.00:                   89.935 89.979120.008
  351  296 0.0285( 0.11 0.12 0.08) -2306.10  -87.34  0.00 -2387.88 2.65575 52:53
  352  296 0.0234( 0.08 0.11 0.10) -2306.08  -87.31  0.00 -2387.85 2.65551 52:53
  353  295 0.0162( 0.06 0.09 0.12) -2306.04  -87.29  0.00 -2387.81 2.65543 52:53
  354  294 0.0127( 0.04 0.08 0.14) -2306.01  -87.26  0.00 -2387.77 2.65544 52:53
  355  293 0.0059( 0.02 0.06 0.16) -2305.96  -87.24  0.00 -2387.72 2.65557 52:53
 Msd:  0.03:O  0.03:S  0.00:   0.00:   0.00:   24.567 24.587 21.552
       0.00:   0.00:   0.00:                   89.956 89.966120.016
  356  292-0.0015( 0.00 0.04 0.17) -2305.90  -87.23  0.00 -2387.65 2.65579 52:53
  357  292-0.0124(-0.02 0.02 0.19) -2305.83  -87.23  0.00 -2387.59 2.65613 52:53
  358  292-0.0266(-0.05-0.01 0.20) -2305.73  -87.26  0.00 -2387.52 2.65658 52:53
  359  293-0.0453(-0.09-0.04 0.22) -2305.62  -87.32  0.00 -2387.45 2.65715 52:54
  360  294-0.0690(-0.12-0.08 0.22) -2305.50  -87.40  0.00 -2387.39 2.65786 52:54
 Msd:  0.03:O  0.03:S  0.00:   0.00:   0.00:   24.548 24.571 21.567
       0.00:   0.00:   0.00:                   89.968 89.961120.025
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  361  295-0.0953(-0.16-0.12 0.23) -2305.36  -87.52  0.00 -2387.34 2.65879 52:54
  362  297-0.1176(-0.19-0.16 0.23) -2305.25  -87.63  0.00 -2387.31 2.65990 52:54
  363  299-0.1378(-0.21-0.20 0.22) -2305.14  -87.76  0.00 -2387.29 2.66118 52:54
  364  301-0.1563(-0.22-0.23 0.21) -2305.05  -87.89  0.00 -2387.29 2.66262 52:54
  365  302-0.1722(-0.23-0.26 0.20) -2304.96  -88.02  0.00 -2387.31 2.66418 52:54
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.513 24.534 21.579
       0.00:   0.00:   0.00:                   89.979 89.959120.028
  366  304-0.1853(-0.23-0.28 0.18) -2304.89  -88.15  0.00 -2387.35 2.66585 52:54
  367  304-0.1952(-0.22-0.30 0.17) -2304.82  -88.27  0.00 -2387.39 2.66768 52:54
  368  305-0.1945(-0.20-0.30 0.15) -2304.80  -88.36  0.00 -2387.44 2.66959 52:54
  369  305-0.1884(-0.18-0.29 0.14) -2304.79  -88.43  0.00 -2387.50 2.67173 52:54
  370  305-0.1624(-0.14-0.25 0.14) -2304.84  -88.43  0.00 -2387.56 2.67389 52:54
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.469 24.479 21.586
       0.00:   0.00:   0.00:                   89.989 89.960120.017
  371  305-0.1337(-0.10-0.20 0.13) -2304.90  -88.42  0.00 -2387.61 2.67598 52:54
  372  304-0.1091(-0.06-0.15 0.12) -2304.95  -88.42  0.00 -2387.67 2.67798 52:54
  373  304-0.0891(-0.03-0.11 0.10) -2304.98  -88.44  0.00 -2387.72 2.67992 52:54
  374  304-0.0727(-0.01-0.06 0.08) -2304.99  -88.47  0.00 -2387.77 2.68179 52:54
  375  304-0.0591( 0.01-0.03 0.07) -2305.00  -88.50  0.00 -2387.81 2.68342 52:54
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.432 24.424 21.587
       0.00:   0.00:   0.00:                   90.001 89.961120.005
  376  304-0.0620( 0.02-0.02 0.04) -2304.96  -88.60  0.00 -2387.86 2.68520 52:55
  377  304-0.0494( 0.04 0.01 0.04) -2304.96  -88.64  0.00 -2387.90 2.68674 52:55
  378  304-0.0528( 0.04 0.01 0.03) -2304.92  -88.73  0.00 -2387.95 2.68827 52:55
  379  304-0.0513( 0.04 0.02 0.02) -2304.89  -88.81  0.00 -2388.00 2.68983 52:55
  380  304-0.0410( 0.05 0.04 0.02) -2304.88  -88.86  0.00 -2388.05 2.69132 52:55
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.413 24.394 21.568
       0.00:   0.00:   0.00:                   90.011 89.961120.007
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  381  303-0.0294( 0.06 0.05 0.03) -2304.88  -88.90  0.00 -2388.09 2.69261 52:55
  382  303-0.0259( 0.06 0.06 0.03) -2304.85  -88.96  0.00 -2388.13 2.69390 52:55
  383  302-0.0126( 0.07 0.07 0.04) -2304.84  -88.98  0.00 -2388.16 2.69462 52:55
  384  301-0.0378( 0.05 0.05 0.02) -2304.70  -89.12  0.00 -2388.19 2.69602 52:55
  385  299 0.0088( 0.09 0.10 0.06) -2304.79  -89.02  0.00 -2388.20 2.69573 52:55
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.407 24.386 21.547
       0.00:   0.00:   0.00:                   90.016 89.960120.015
  386  298-0.0805( 0.00 0.01-0.03) -2304.43  -89.35  0.00 -2388.20 2.69795 52:55
  387  297 0.0618( 0.14 0.16 0.11) -2304.84  -88.92  0.00 -2388.19 2.69627 52:55
  388  297-0.1233(-0.04-0.02-0.07) -2304.17  -89.56  0.00 -2388.16 2.69872 52:55
  389  296 0.0627( 0.14 0.16 0.11) -2304.72  -88.97  0.00 -2388.14 2.69733 52:55
  390  296-0.0732( 0.01 0.03-0.03) -2304.23  -89.44  0.00 -2388.11 2.69827 52:55
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.401 24.385 21.532
       0.00:   0.00:   0.00:                   90.012 89.955120.014
  391  297 0.0034( 0.09 0.11 0.04) -2304.44  -89.20  0.00 -2388.08 2.69796 52:55
  392  297-0.0179( 0.07 0.09 0.01) -2304.33  -89.29  0.00 -2388.06 2.69794 52:56
  393  297-0.0029( 0.09 0.11 0.02) -2304.36  -89.25  0.00 -2388.03 2.69770 52:56
  394  297 0.0030( 0.10 0.12 0.02) -2304.36  -89.23  0.00 -2388.01 2.69740 52:56
  395  297 0.0154( 0.12 0.14 0.02) -2304.38  -89.19  0.00 -2387.99 2.69702 52:56
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.407 24.396 21.526
       0.00:   0.00:   0.00:                   90.006 89.951120.007
  396  297 0.0308( 0.15 0.16 0.02) -2304.42  -89.12  0.00 -2387.97 2.69655 52:56
  397  297 0.0499( 0.18 0.18 0.02) -2304.47  -89.04  0.00 -2387.95 2.69597 52:56
  398  296 0.0706( 0.21 0.21 0.02) -2304.52  -88.94  0.00 -2387.92 2.69523 52:56
  399  295 0.0882( 0.24 0.24 0.01) -2304.57  -88.85  0.00 -2387.89 2.69437 52:56
  400  294 0.1047( 0.27 0.27 0.01) -2304.61  -88.75  0.00 -2387.85 2.69340 52:56
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.424 24.416 21.520
       0.00:   0.00:   0.00:                   90.003 89.950120.000
 -------------------------------------------------------------------------------
 Avr   299-0.0255( 0.06 0.04 0.06) -2304.87  -88.41  0.00 -2387.67 2.67675
 Std     5 0.1595( 0.23 0.21 0.11)     0.81    0.73  0.00     0.36 0.01619
 -------------------------------------------------------------------------------
 Temperatures: O : 291 Si: 315
 -------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  ============
 <<<=====   Quartz                                                       ====>>>
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  401  294 0.1204( 0.29 0.29 0.01) -2304.65  -88.65  0.00 -2387.80 2.69232 52:56
  402  293 0.1352( 0.31 0.31 0.01) -2304.69  -88.55  0.00 -2387.74 2.69115 52:56
  403  294 0.1490( 0.33 0.34 0.02) -2304.73  -88.45  0.00 -2387.68 2.68990 52:56
  404  294 0.1612( 0.34 0.36 0.02) -2304.78  -88.36  0.00 -2387.63 2.68859 52:56
  405  295 0.1718( 0.35 0.37 0.03) -2304.85  -88.27  0.00 -2387.58 2.68722 52:56
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.455 24.448 21.514
       0.00:   0.00:   0.00:                   90.003 89.951119.997
  406  297 0.1807( 0.36 0.38 0.04) -2304.92  -88.19  0.00 -2387.54 2.68582 52:56
  407  299 0.1879( 0.36 0.39 0.05) -2305.01  -88.12  0.00 -2387.52 2.68438 52:56
  408  301 0.1936( 0.36 0.39 0.06) -2305.11  -88.05  0.00 -2387.52 2.68293 52:56
  409  303 0.1976( 0.36 0.38 0.08) -2305.23  -87.99  0.00 -2387.54 2.68147 52:57
  410  305 0.2002( 0.36 0.38 0.09) -2305.35  -87.93  0.00 -2387.58 2.67993 52:57
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.489 24.485 21.510
       0.00:   0.00:   0.00:                   90.008 89.953119.999
  411  306 0.1951( 0.35 0.36 0.11) -2305.47  -87.90  0.00 -2387.63 2.67837 52:57
  412  307 0.1869( 0.34 0.34 0.12) -2305.58  -87.88  0.00 -2387.70 2.67681 52:57
  413  308 0.1769( 0.32 0.31 0.13) -2305.68  -87.86  0.00 -2387.77 2.67528 52:57
  414  308 0.1657( 0.30 0.29 0.14) -2305.78  -87.85  0.00 -2387.85 2.67377 52:57
  415  308 0.1535( 0.28 0.26 0.15) -2305.87  -87.83  0.00 -2387.93 2.67230 52:57
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.523 24.517 21.514
       0.00:   0.00:   0.00:                   90.019 89.955119.998
  416  308 0.1405( 0.26 0.24 0.16) -2305.96  -87.83  0.00 -2388.01 2.67089 52:57
  417  308 0.1272( 0.23 0.22 0.16) -2306.03  -87.83  0.00 -2388.09 2.66953 52:57
  418  307 0.1140( 0.21 0.20 0.17) -2306.10  -87.83  0.00 -2388.17 2.66825 52:57
  419  307 0.1016( 0.18 0.18 0.18) -2306.16  -87.83  0.00 -2388.24 2.66704 52:57
  420  306 0.0906( 0.16 0.16 0.18) -2306.22  -87.83  0.00 -2388.31 2.66590 52:57
 Msd:  0.02:O  0.02:S  0.00:   0.00:   0.00:   24.545 24.538 21.526
       0.00:   0.00:   0.00:                   90.028 89.955119.995
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  421  306 0.0813( 0.14 0.14 0.19) -2306.28  -87.82  0.00 -2388.37 2.66481 52:57
  422  305 0.0740( 0.13 0.13 0.20) -2306.33  -87.81  0.00 -2388.43 2.66376 52:57
  423  303 0.0686( 0.12 0.11 0.21) -2306.38  -87.78  0.00 -2388.47 2.66274 52:57
  424  302 0.0646( 0.11 0.10 0.22) -2306.43  -87.73  0.00 -2388.50 2.66173 52:57
  425  300 0.0618( 0.11 0.09 0.22) -2306.47  -87.68  0.00 -2388.52 2.66073 52:58
 Msd:  0.02:O  0.02:S  0.00:   0.00:   0.00:   24.555 24.545 21.553
       0.00:   0.00:   0.00:                   90.030 89.955119.996
  426  299 0.0597( 0.10 0.08 0.23) -2306.51  -87.62  0.00 -2388.53 2.65972 52:58
  427  297 0.0577( 0.10 0.07 0.24) -2306.54  -87.55  0.00 -2388.52 2.65881 52:58
  428  296 0.0639( 0.10 0.07 0.25) -2306.60  -87.45  0.00 -2388.50 2.65795 52:58
  429  295 0.0728( 0.11 0.07 0.28) -2306.66  -87.34  0.00 -2388.46 2.65710 52:58
  430  295 0.0807( 0.11 0.07 0.30) -2306.71  -87.24  0.00 -2388.43 2.65621 52:58
 Msd:  0.02:O  0.02:S  0.00:   0.00:   0.00:   24.559 24.542 21.591
       0.00:   0.00:   0.00:                   90.025 89.959120.000
  431  295 0.0812( 0.10 0.06 0.32) -2306.74  -87.17  0.00 -2388.38 2.65536 52:58
  432  295 0.0813( 0.09 0.05 0.34) -2306.76  -87.11  0.00 -2388.34 2.65455 52:58
  433  296 0.0802( 0.08 0.05 0.35) -2306.78  -87.06  0.00 -2388.30 2.65380 52:58
  434  296 0.0784( 0.07 0.05 0.36) -2306.79  -87.02  0.00 -2388.26 2.65316 52:58
  435  297 0.0816( 0.06 0.05 0.37) -2306.82  -86.97  0.00 -2388.23 2.65252 52:58
 Msd:  0.02:O  0.02:S  0.00:   0.00:   0.00:   24.558 24.536 21.628
       0.00:   0.00:   0.00:                   90.021 89.964120.005
  436  297 0.0798( 0.05 0.05 0.38) -2306.83  -86.95  0.00 -2388.21 2.65195 52:58
  437  298 0.0795( 0.04 0.05 0.39) -2306.84  -86.92  0.00 -2388.19 2.65138 52:58
  438  298 0.0750( 0.03 0.05 0.39) -2306.83  -86.91  0.00 -2388.17 2.65083 52:58
  439  298 0.0697( 0.03 0.05 0.38) -2306.81  -86.91  0.00 -2388.15 2.65029 52:58
  440  297 0.0625( 0.02 0.05 0.36) -2306.79  -86.92  0.00 -2388.13 2.64977 52:58
 Msd:  0.02:O  0.02:S  0.00:   0.00:   0.00:   24.551 24.532 21.661
       0.00:   0.00:   0.00:                   90.017 89.970120.013
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  441  297 0.0556( 0.01 0.06 0.34) -2306.75  -86.93  0.00 -2388.11 2.64927 52:59
  442  297 0.0497( 0.02 0.07 0.32) -2306.72  -86.93  0.00 -2388.09 2.64874 52:59
  443  296 0.0403( 0.02 0.07 0.28) -2306.67  -86.94  0.00 -2388.06 2.64822 52:59
  444  296 0.0317( 0.03 0.08 0.24) -2306.62  -86.95  0.00 -2388.03 2.64772 52:59
  445  295 0.0245( 0.04 0.09 0.19) -2306.57  -86.96  0.00 -2388.00 2.64729 52:59
 Msd:  0.02:O  0.02:S  0.00:   0.00:   0.00:   24.542 24.533 21.691
       0.00:   0.00:   0.00:                   90.008 89.982120.023
  446  295 0.0221( 0.06 0.10 0.16) -2306.54  -86.95  0.00 -2387.96 2.64686 52:59
  447  295 0.0180( 0.07 0.11 0.12) -2306.51  -86.94  0.00 -2387.92 2.64645 52:59
  448  295 0.0140( 0.09 0.11 0.09) -2306.47  -86.94  0.00 -2387.87 2.64612 52:59
  449  296 0.0121( 0.10 0.12 0.06) -2306.45  -86.94  0.00 -2387.83 2.64585 52:59
  450  297 0.0101( 0.12 0.13 0.04) -2306.43  -86.94  0.00 -2387.80 2.64563 52:59
 Msd:  0.02:O  0.02:S  0.00:   0.00:   0.00:   24.543 24.545 21.694
       0.00:   0.00:   0.00:                   90.000 89.996120.023
  451  298 0.0061( 0.13 0.13 0.01) -2306.41  -86.97  0.00 -2387.78 2.64547 52:59
  452  300 0.0002( 0.14 0.13-0.03) -2306.39  -87.01  0.00 -2387.77 2.64538 52:59
  453  302-0.0074( 0.16 0.13-0.06) -2306.37  -87.07  0.00 -2387.78 2.64535 52:59
  454  303-0.0165( 0.17 0.13-0.10) -2306.35  -87.14  0.00 -2387.80 2.64539 52:59
  455  304-0.0256( 0.18 0.13-0.14) -2306.33  -87.21  0.00 -2387.84 2.64549 52:59
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.552 24.553 21.677
       0.00:   0.00:   0.00:                   89.997 89.998120.014
  456  305-0.0332( 0.19 0.13-0.17) -2306.31  -87.29  0.00 -2387.89 2.64565 52:59
  457  305-0.0385( 0.20 0.12-0.19) -2306.29  -87.35  0.00 -2387.94 2.64586 52:59
  458  304-0.0414( 0.20 0.13-0.21) -2306.28  -87.40  0.00 -2387.99 2.64609 53: 0
  459  303-0.0421( 0.21 0.13-0.22) -2306.26  -87.44  0.00 -2388.03 2.64634 53: 0
  460  301-0.0409( 0.21 0.14-0.22) -2306.24  -87.47  0.00 -2388.06 2.64659 53: 0
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.565 24.561 21.648
       0.00:   0.00:   0.00:                   89.994 89.997120.002
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  461  300-0.0388( 0.21 0.15-0.22) -2306.22  -87.49  0.00 -2388.08 2.64684 53: 0
  462  299-0.0362( 0.20 0.16-0.22) -2306.18  -87.50  0.00 -2388.09 2.64710 53: 0
  463  298-0.0328( 0.20 0.17-0.22) -2306.15  -87.51  0.00 -2388.08 2.64737 53: 0
  464  297-0.0296( 0.19 0.18-0.21) -2306.11  -87.52  0.00 -2388.07 2.64765 53: 0
  465  297-0.0274( 0.18 0.19-0.20) -2306.06  -87.54  0.00 -2388.04 2.64793 53: 0
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.580 24.572 21.613
       0.00:   0.00:   0.00:                   89.994 89.995120.000
  466  296-0.0260( 0.16 0.19-0.19) -2306.01  -87.56  0.00 -2388.02 2.64824 53: 0
  467  297-0.0252( 0.15 0.19-0.17) -2305.97  -87.58  0.00 -2387.99 2.64856 53: 0
  468  297-0.0247( 0.14 0.19-0.16) -2305.92  -87.61  0.00 -2387.96 2.64893 53: 0
  469  297-0.0211( 0.13 0.19-0.13) -2305.88  -87.63  0.00 -2387.94 2.64931 53: 0
  470  297-0.0174( 0.12 0.18-0.10) -2305.84  -87.64  0.00 -2387.92 2.64969 53: 0
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.593 24.591 21.573
       0.00:   0.00:   0.00:                   89.996 89.994120.012
  471  296-0.0144( 0.11 0.16-0.07) -2305.79  -87.66  0.00 -2387.89 2.65006 53: 0
  472  296-0.0119( 0.10 0.14-0.04) -2305.74  -87.67  0.00 -2387.86 2.65041 53: 0
  473  295-0.0099( 0.09 0.13-0.01) -2305.68  -87.68  0.00 -2387.83 2.65074 53: 0
  474  295-0.0084( 0.08 0.11 0.02) -2305.63  -87.69  0.00 -2387.79 2.65106 53: 1
  475  294-0.0072( 0.08 0.10 0.04) -2305.56  -87.70  0.00 -2387.75 2.65135 53: 1
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.599 24.609 21.541
       0.00:   0.00:   0.00:                   90.001 89.998120.023
  476  294-0.0086( 0.07 0.09 0.05) -2305.49  -87.71  0.00 -2387.70 2.65168 53: 1
  477  293-0.0047( 0.07 0.09 0.06) -2305.43  -87.71  0.00 -2387.64 2.65191 53: 1
  478  293-0.0087( 0.07 0.08 0.07) -2305.35  -87.73  0.00 -2387.59 2.65226 53: 1
  479  293 0.0001( 0.08 0.08 0.08) -2305.31  -87.72  0.00 -2387.53 2.65230 53: 1
  480  293-0.0161( 0.06 0.06 0.07) -2305.19  -87.78  0.00 -2387.47 2.65287 53: 1
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.594 24.611 21.532
       0.00:   0.00:   0.00:                   90.003 90.006120.024
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  481  294 0.0164( 0.09 0.09 0.11) -2305.24  -87.68  0.00 -2387.42 2.65244 53: 1
  482  294-0.0333( 0.04 0.04 0.06) -2305.02  -87.85  0.00 -2387.36 2.65329 53: 1
  483  294 0.0324( 0.11 0.09 0.13) -2305.19  -87.63  0.00 -2387.31 2.65264 53: 1
  484  294-0.0265( 0.05 0.03 0.08) -2304.94  -87.82  0.00 -2387.26 2.65321 53: 1
  485  294 0.0257( 0.10 0.07 0.15) -2305.08  -87.64  0.00 -2387.21 2.65276 53: 1
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.591 24.606 21.539
       0.00:   0.00:   0.00:                   89.999 90.014120.023
  486  295-0.0054( 0.07 0.03 0.13) -2304.95  -87.73  0.00 -2387.16 2.65290 53: 1
  487  295 0.0200( 0.10 0.04 0.16) -2305.02  -87.63  0.00 -2387.11 2.65260 53: 1
  488  297 0.0116( 0.09 0.02 0.17) -2304.98  -87.65  0.00 -2387.08 2.65245 53: 1
  489  298 0.0212( 0.09 0.02 0.19) -2305.02  -87.61  0.00 -2387.05 2.65216 53: 1
  490  299 0.0231( 0.09 0.01 0.20) -2305.05  -87.59  0.00 -2387.04 2.65185 53: 2
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.589 24.592 21.559
       0.00:   0.00:   0.00:                   89.989 90.023120.016
  491  301 0.0290( 0.10 0.01 0.22) -2305.10  -87.57  0.00 -2387.04 2.65151 53: 2
  492  302 0.0381( 0.10 0.01 0.24) -2305.18  -87.52  0.00 -2387.05 2.65111 53: 2
  493  302 0.0497( 0.11 0.01 0.27) -2305.27  -87.47  0.00 -2387.07 2.65065 53: 2
  494  302 0.0644( 0.12 0.01 0.31) -2305.37  -87.39  0.00 -2387.10 2.65008 53: 2
  495  302 0.0779( 0.13 0.01 0.34) -2305.48  -87.31  0.00 -2387.12 2.64941 53: 2
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.589 24.581 21.587
       0.00:   0.00:   0.00:                   89.983 90.027120.009
  496  302 0.0922( 0.14 0.02 0.36) -2305.58  -87.21  0.00 -2387.14 2.64865 53: 2
  497  301 0.1070( 0.15 0.03 0.39) -2305.70  -87.11  0.00 -2387.16 2.64780 53: 2
  498  301 0.1218( 0.16 0.04 0.41) -2305.81  -87.00  0.00 -2387.17 2.64683 53: 2
  499  300 0.1319( 0.16 0.05 0.43) -2305.91  -86.90  0.00 -2387.18 2.64577 53: 2
  500  301 0.1393( 0.17 0.06 0.43) -2306.01  -86.82  0.00 -2387.19 2.64465 53: 2
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.595 24.575 21.623
       0.00:   0.00:   0.00:                   89.979 90.026119.999
 -------------------------------------------------------------------------------
 Avr   299 0.0521( 0.15 0.13 0.12) -2305.91  -87.51  0.00 -2387.82 2.65648
 Std     4 0.0688( 0.09 0.10 0.18)     0.64    0.41  0.00     0.42 0.01258
 -------------------------------------------------------------------------------
 Temperatures: O : 294 Si: 309
 -------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  ============
 <<<=====   Quartz                                                       ====>>>
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  501  301 0.1443( 0.17 0.08 0.43) -2306.11  -86.74  0.00 -2387.20 2.64341 53: 2
  502  302 0.1428( 0.16 0.09 0.42) -2306.19  -86.70  0.00 -2387.22 2.64212 53: 2
  503  303 0.1389( 0.16 0.11 0.40) -2306.26  -86.66  0.00 -2387.25 2.64079 53: 2
  504  303 0.1345( 0.15 0.13 0.37) -2306.34  -86.62  0.00 -2387.28 2.63942 53: 2
  505  303 0.1308( 0.15 0.15 0.34) -2306.42  -86.58  0.00 -2387.31 2.63802 53: 2
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.605 24.580 21.663
       0.00:   0.00:   0.00:                   89.978 90.024119.990
  506  303 0.1281( 0.15 0.17 0.31) -2306.50  -86.53  0.00 -2387.35 2.63670 53: 2
  507  302 0.1378( 0.16 0.20 0.30) -2306.61  -86.43  0.00 -2387.38 2.63537 53: 3
  508  300 0.1498( 0.18 0.23 0.28) -2306.72  -86.31  0.00 -2387.40 2.63400 53: 3
  509  299 0.1624( 0.20 0.26 0.27) -2306.83  -86.18  0.00 -2387.41 2.63259 53: 3
  510  298 0.1748( 0.22 0.29 0.26) -2306.92  -86.05  0.00 -2387.40 2.63117 53: 3
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.620 24.602 21.687
       0.00:   0.00:   0.00:                   89.980 90.023119.991
  511  297 0.1860( 0.24 0.31 0.24) -2307.01  -85.93  0.00 -2387.38 2.62968 53: 3
  512  296 0.1895( 0.26 0.32 0.23) -2307.07  -85.84  0.00 -2387.35 2.62817 53: 3
  513  297 0.1890( 0.27 0.33 0.21) -2307.11  -85.77  0.00 -2387.32 2.62668 53: 3
  514  297 0.1859( 0.28 0.33 0.19) -2307.14  -85.73  0.00 -2387.30 2.62515 53: 3
  515  298 0.1746( 0.27 0.32 0.17) -2307.14  -85.71  0.00 -2387.27 2.62350 53: 3
 Msd:  0.04:O  0.03:S  0.00:   0.00:   0.00:   24.646 24.633 21.700
       0.00:   0.00:   0.00:                   89.985 90.021119.993
  516  299 0.1475( 0.25 0.28 0.15) -2307.09  -85.76  0.00 -2387.26 2.62190 53: 3
  517  299 0.1197( 0.23 0.25 0.12) -2307.03  -85.82  0.00 -2387.25 2.62041 53: 3
  518  300 0.0967( 0.21 0.21 0.11) -2306.99  -85.86  0.00 -2387.24 2.61904 53: 3
  519  300 0.0790( 0.18 0.19 0.10) -2306.97  -85.89  0.00 -2387.24 2.61776 53: 3
  520  300 0.0649( 0.17 0.16 0.10) -2306.96  -85.91  0.00 -2387.24 2.61669 53: 3
 Msd:  0.04:O  0.03:S  0.00:   0.00:   0.00:   24.674 24.662 21.706
       0.00:   0.00:   0.00:                   89.992 90.017119.994
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  521  300 0.0631( 0.16 0.15 0.11) -2306.98  -85.88  0.00 -2387.25 2.61560 53: 3
  522  300 0.0551( 0.15 0.14 0.12) -2306.98  -85.88  0.00 -2387.25 2.61461 53: 3
  523  300 0.0512( 0.14 0.13 0.12) -2306.99  -85.87  0.00 -2387.25 2.61367 53: 4
  524  299 0.0445( 0.13 0.12 0.12) -2306.99  -85.87  0.00 -2387.25 2.61274 53: 4
  525  299 0.0325( 0.12 0.11 0.11) -2306.97  -85.88  0.00 -2387.25 2.61199 53: 4
 Msd:  0.04:O  0.03:S  0.00:   0.00:   0.00:   24.694 24.676 21.717
       0.00:   0.00:   0.00:                   89.994 90.013120.001
  526  299 0.0289( 0.11 0.11 0.10) -2306.97  -85.88  0.00 -2387.24 2.61121 53: 4
  527  299 0.0157( 0.10 0.10 0.09) -2306.94  -85.90  0.00 -2387.24 2.61077 53: 4
  528  299 0.0226( 0.11 0.10 0.09) -2306.97  -85.87  0.00 -2387.23 2.61012 53: 4
  529  299 0.0023( 0.09 0.09 0.07) -2306.91  -85.92  0.00 -2387.23 2.61007 53: 4
  530  299 0.0237( 0.11 0.11 0.09) -2306.98  -85.85  0.00 -2387.22 2.60935 53: 4
 Msd:  0.04:O  0.03:S  0.00:   0.00:   0.00:   24.707 24.686 21.722
       0.00:   0.00:   0.00:                   89.987 90.017120.011
  531  300-0.0238( 0.06 0.07 0.04) -2306.83  -86.01  0.00 -2387.22 2.60988 53: 4
  532  300 0.0246( 0.11 0.12 0.08) -2306.99  -85.86  0.00 -2387.22 2.60925 53: 4
  533  301-0.0406( 0.04 0.06 0.01) -2306.77  -86.10  0.00 -2387.23 2.60989 53: 4
  534  302-0.0083( 0.08 0.10 0.04) -2306.89  -86.02  0.00 -2387.25 2.60989 53: 4
  535  303-0.0440( 0.04 0.07-0.00) -2306.77  -86.18  0.00 -2387.27 2.61048 53: 4
 Msd:  0.04:O  0.03:S  0.00:   0.00:   0.00:   24.705 24.690 21.711
       0.00:   0.00:   0.00:                   89.978 90.023120.013
  536  304-0.0409( 0.04 0.07-0.01) -2306.78  -86.22  0.00 -2387.31 2.61103 53: 4
  537  304-0.0521( 0.04 0.07-0.02) -2306.74  -86.31  0.00 -2387.35 2.61167 53: 4
  538  304-0.0643( 0.03 0.06-0.04) -2306.70  -86.41  0.00 -2387.40 2.61239 53: 4
  539  304-0.0773( 0.02 0.05-0.07) -2306.64  -86.51  0.00 -2387.45 2.61316 53: 4
  540  303-0.0913( 0.02 0.04-0.09) -2306.57  -86.60  0.00 -2387.49 2.61398 53: 5
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.696 24.690 21.690
       0.00:   0.00:   0.00:                   89.970 90.029120.014
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  541  302-0.1068( 0.01 0.02-0.12) -2306.48  -86.70  0.00 -2387.53 2.61483 53: 5
  542  301-0.1243( 0.01 0.00-0.15) -2306.39  -86.80  0.00 -2387.55 2.61575 53: 5
  543  299-0.1407( 0.00-0.02-0.17) -2306.28  -86.89  0.00 -2387.56 2.61680 53: 5
  544  299-0.1505( 0.01-0.03-0.19) -2306.19  -86.97  0.00 -2387.56 2.61794 53: 5
  545  298-0.1586( 0.01-0.05-0.20) -2306.10  -87.04  0.00 -2387.55 2.61914 53: 5
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.686 24.680 21.664
       0.00:   0.00:   0.00:                   89.964 90.034120.011
  546  298-0.1665( 0.01-0.06-0.20) -2306.02  -87.12  0.00 -2387.55 2.62041 53: 5
  547  299-0.1742( 0.00-0.08-0.20) -2305.92  -87.21  0.00 -2387.54 2.62174 53: 5
  548  299-0.1813(-0.00-0.10-0.20) -2305.84  -87.30  0.00 -2387.54 2.62312 53: 5
  549  300-0.1867(-0.01-0.11-0.20) -2305.75  -87.40  0.00 -2387.54 2.62454 53: 5
  550  300-0.1898(-0.02-0.12-0.19) -2305.68  -87.48  0.00 -2387.54 2.62598 53: 5
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.673 24.660 21.634
       0.00:   0.00:   0.00:                   89.956 90.042120.001
  551  300-0.1899(-0.03-0.12-0.18) -2305.61  -87.55  0.00 -2387.55 2.62741 53: 5
  552  299-0.1866(-0.03-0.13-0.16) -2305.56  -87.60  0.00 -2387.55 2.62881 53: 5
  553  298-0.1803(-0.04-0.12-0.14) -2305.51  -87.63  0.00 -2387.55 2.63022 53: 5
  554  297-0.1656(-0.03-0.11-0.11) -2305.49  -87.62  0.00 -2387.54 2.63171 53: 5
  555  296-0.1360(-0.02-0.08-0.07) -2305.52  -87.55  0.00 -2387.52 2.63311 53: 6
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.655 24.637 21.610
       0.00:   0.00:   0.00:                   89.944 90.052119.992
  556  295-0.1062(-0.00-0.05-0.02) -2305.55  -87.47  0.00 -2387.49 2.63435 53: 6
  557  295-0.0826( 0.01-0.02 0.01) -2305.56  -87.41  0.00 -2387.45 2.63543 53: 6
  558  294-0.0651( 0.01 0.00 0.03) -2305.55  -87.37  0.00 -2387.40 2.63638 53: 6
  559  295-0.0525( 0.02 0.02 0.05) -2305.54  -87.34  0.00 -2387.36 2.63722 53: 6
  560  295-0.0430( 0.02 0.03 0.06) -2305.52  -87.32  0.00 -2387.31 2.63796 53: 6
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.635 24.620 21.600
       0.00:   0.00:   0.00:                   89.933 90.063119.982
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  561  296-0.0360( 0.02 0.04 0.07) -2305.51  -87.32  0.00 -2387.28 2.63862 53: 6
  562  297-0.0305( 0.03 0.05 0.08) -2305.50  -87.32  0.00 -2387.25 2.63920 53: 6
  563  299-0.0257( 0.03 0.05 0.08) -2305.50  -87.33  0.00 -2387.23 2.63964 53: 6
  564  300-0.0253( 0.03 0.06 0.09) -2305.49  -87.35  0.00 -2387.23 2.64005 53: 6
  565  301-0.0193( 0.03 0.06 0.09) -2305.52  -87.36  0.00 -2387.23 2.64029 53: 6
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.615 24.613 21.601
       0.00:   0.00:   0.00:                   89.937 90.052119.964
  566  302-0.0181( 0.03 0.06 0.10) -2305.53  -87.37  0.00 -2387.25 2.64052 53: 6
  567  302-0.0080( 0.04 0.07 0.11) -2305.58  -87.35  0.00 -2387.27 2.64047 53: 6
  568  302-0.0103( 0.04 0.07 0.11) -2305.60  -87.36  0.00 -2387.30 2.64055 53: 6
  569  302 0.0103( 0.05 0.08 0.14) -2305.69  -87.29  0.00 -2387.32 2.64014 53: 6
  570  302-0.0001( 0.04 0.07 0.13) -2305.69  -87.31  0.00 -2387.35 2.64007 53: 6
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.603 24.607 21.616
       0.00:   0.00:   0.00:                   89.955 90.023119.954
  571  302 0.0312( 0.07 0.10 0.17) -2305.84  -87.19  0.00 -2387.37 2.63931 53: 6
  572  302 0.0130( 0.06 0.08 0.15) -2305.82  -87.22  0.00 -2387.39 2.63906 53: 7
  573  302 0.0491( 0.09 0.11 0.19) -2306.00  -87.07  0.00 -2387.41 2.63816 53: 7
  574  302 0.0382( 0.08 0.10 0.18) -2306.02  -87.08  0.00 -2387.43 2.63742 53: 7
  575  303 0.0484( 0.09 0.11 0.18) -2306.12  -87.00  0.00 -2387.46 2.63659 53: 7
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.605 24.608 21.643
       0.00:   0.00:   0.00:                   89.978 89.998119.953
  576  303 0.0592( 0.11 0.13 0.19) -2306.24  -86.93  0.00 -2387.49 2.63571 53: 7
  577  303 0.0714( 0.12 0.14 0.20) -2306.36  -86.85  0.00 -2387.52 2.63477 53: 7
  578  303 0.0849( 0.13 0.16 0.21) -2306.49  -86.75  0.00 -2387.56 2.63378 53: 7
  579  303 0.0998( 0.15 0.19 0.21) -2306.63  -86.65  0.00 -2387.59 2.63276 53: 7
  580  303 0.1163( 0.16 0.22 0.22) -2306.77  -86.54  0.00 -2387.63 2.63172 53: 7
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.616 24.619 21.663
       0.00:   0.00:   0.00:                   89.993 89.983119.959
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  581  303 0.1342( 0.18 0.25 0.22) -2306.91  -86.43  0.00 -2387.66 2.63067 53: 7
  582  302 0.1533( 0.20 0.28 0.22) -2307.05  -86.31  0.00 -2387.69 2.62952 53: 7
  583  302 0.1641( 0.21 0.31 0.21) -2307.17  -86.21  0.00 -2387.72 2.62828 53: 7
  584  302 0.1664( 0.21 0.33 0.20) -2307.25  -86.15  0.00 -2387.74 2.62702 53: 7
  585  302 0.1645( 0.21 0.34 0.18) -2307.31  -86.11  0.00 -2387.76 2.62578 53: 7
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.635 24.645 21.677
       0.00:   0.00:   0.00:                   89.997 89.977119.974
  586  302 0.1602( 0.22 0.35 0.16) -2307.36  -86.07  0.00 -2387.78 2.62457 53: 7
  587  302 0.1540( 0.22 0.35 0.14) -2307.40  -86.05  0.00 -2387.80 2.62335 53: 7
  588  301 0.1414( 0.21 0.33 0.12) -2307.41  -86.06  0.00 -2387.82 2.62205 53: 8
  589  301 0.1165( 0.20 0.30 0.09) -2307.38  -86.10  0.00 -2387.84 2.62081 53: 8
  590  301 0.0911( 0.18 0.26 0.07) -2307.33  -86.15  0.00 -2387.85 2.61979 53: 8
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.657 24.679 21.681
       0.00:   0.00:   0.00:                   89.996 89.979119.996
  591  300 0.0791( 0.18 0.24 0.06) -2307.33  -86.15  0.00 -2387.86 2.61886 53: 8
  592  299 0.0679( 0.17 0.21 0.06) -2307.32  -86.14  0.00 -2387.86 2.61800 53: 8
  593  298 0.0571( 0.17 0.18 0.06) -2307.30  -86.13  0.00 -2387.85 2.61722 53: 8
  594  297 0.0463( 0.16 0.16 0.05) -2307.27  -86.12  0.00 -2387.84 2.61653 53: 8
  595  296 0.0354( 0.15 0.14 0.05) -2307.24  -86.11  0.00 -2387.81 2.61594 53: 8
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.676 24.702 21.678
       0.00:   0.00:   0.00:                   89.988 89.986120.005
  596  295 0.0247( 0.15 0.12 0.05) -2307.20  -86.11  0.00 -2387.77 2.61546 53: 8
  597  294 0.0142( 0.14 0.10 0.04) -2307.15  -86.10  0.00 -2387.73 2.61510 53: 8
  598  294 0.0040( 0.13 0.08 0.03) -2307.09  -86.10  0.00 -2387.68 2.61488 53: 8
  599  294-0.0058( 0.12 0.07 0.03) -2307.04  -86.11  0.00 -2387.63 2.61481 53: 8
  600  294-0.0142( 0.11 0.06 0.02) -2306.98  -86.12  0.00 -2387.58 2.61485 53: 8
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.687 24.707 21.671
       0.00:   0.00:   0.00:                   89.974 89.992119.994
 -------------------------------------------------------------------------------
 Avr   300 0.0221( 0.11 0.12 0.09) -2306.51  -86.55  0.00 -2387.45 2.62539
 Std     2 0.1071( 0.08 0.12 0.14)     0.63    0.60  0.00     0.20 0.01056
 -------------------------------------------------------------------------------
 Temperatures: O : 292 Si: 315
 -------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  ============
 <<<=====   Quartz                                                       ====>>>
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  601  294-0.0248( 0.10 0.04 0.02) -2306.91  -86.14  0.00 -2387.53 2.61503 53: 8
  602  295-0.0360( 0.09 0.03 0.01) -2306.84  -86.17  0.00 -2387.49 2.61535 53: 8
  603  296-0.0487( 0.08 0.01-0.00) -2306.76  -86.22  0.00 -2387.45 2.61578 53: 8
  604  297-0.0666( 0.06-0.01-0.01) -2306.67  -86.30  0.00 -2387.41 2.61631 53: 9
  605  298-0.0879( 0.04-0.04-0.03) -2306.57  -86.40  0.00 -2387.39 2.61696 53: 9
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.685 24.698 21.660
       0.00:   0.00:   0.00:                   89.965 89.995119.977
  606  299-0.1132( 0.01-0.07-0.04) -2306.45  -86.53  0.00 -2387.38 2.61771 53: 9
  607  301-0.1429(-0.02-0.11-0.06) -2306.33  -86.68  0.00 -2387.38 2.61868 53: 9
  608  302-0.1651(-0.06-0.13-0.07) -2306.23  -86.82  0.00 -2387.39 2.61982 53: 9
  609  303-0.1834(-0.09-0.16-0.07) -2306.15  -86.95  0.00 -2387.42 2.62110 53: 9
  610  303-0.1985(-0.12-0.18-0.06) -2306.07  -87.07  0.00 -2387.45 2.62249 53: 9
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.667 24.675 21.646
       0.00:   0.00:   0.00:                   89.963 89.991119.960
  611  304-0.2107(-0.14-0.19-0.06) -2306.01  -87.18  0.00 -2387.50 2.62398 53: 9
  612  303-0.2203(-0.17-0.21-0.05) -2305.95  -87.27  0.00 -2387.54 2.62554 53: 9
  613  303-0.2275(-0.19-0.21-0.04) -2305.89  -87.36  0.00 -2387.58 2.62717 53: 9
  614  302-0.2333(-0.21-0.22-0.03) -2305.83  -87.44  0.00 -2387.61 2.62886 53: 9
  615  301-0.2383(-0.23-0.22-0.02) -2305.77  -87.52  0.00 -2387.64 2.63060 53: 9
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.635 24.641 21.634
       0.00:   0.00:   0.00:                   89.964 89.985119.948
  616  301-0.2431(-0.25-0.22-0.02) -2305.70  -87.60  0.00 -2387.66 2.63240 53: 9
  617  301-0.2481(-0.26-0.22-0.02) -2305.63  -87.68  0.00 -2387.68 2.63425 53: 9
  618  301-0.2532(-0.27-0.22-0.03) -2305.56  -87.78  0.00 -2387.70 2.63616 53: 9
  619  302-0.2582(-0.28-0.22-0.04) -2305.50  -87.88  0.00 -2387.72 2.63813 53: 9
  620  303-0.2624(-0.28-0.22-0.05) -2305.43  -87.98  0.00 -2387.74 2.64015 53:10
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.594 24.606 21.623
       0.00:   0.00:   0.00:                   89.965 89.982119.946
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  621  303-0.2651(-0.27-0.21-0.07) -2305.37  -88.09  0.00 -2387.78 2.64230 53:10
  622  304-0.2566(-0.25-0.20-0.08) -2305.35  -88.16  0.00 -2387.82 2.64450 53:10
  623  304-0.2425(-0.22-0.18-0.08) -2305.35  -88.21  0.00 -2387.87 2.64670 53:10
  624  303-0.2250(-0.19-0.16-0.08) -2305.35  -88.24  0.00 -2387.91 2.64885 53:10
  625  302-0.2054(-0.15-0.14-0.08) -2305.36  -88.25  0.00 -2387.95 2.65113 53:10
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.553 24.569 21.603
       0.00:   0.00:   0.00:                   89.964 89.983119.949
  626  301-0.1665(-0.09-0.11-0.06) -2305.42  -88.19  0.00 -2387.98 2.65330 53:10
  627  299-0.1298(-0.04-0.07-0.03) -2305.47  -88.13  0.00 -2388.00 2.65527 53:10
  628  297-0.1006(-0.00-0.04-0.02) -2305.49  -88.08  0.00 -2388.00 2.65706 53:10
  629  296-0.0779( 0.02-0.01-0.00) -2305.47  -88.05  0.00 -2387.98 2.65870 53:10
  630  294-0.0606( 0.04 0.01 0.01) -2305.43  -88.02  0.00 -2387.94 2.66020 53:10
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.526 24.537 21.580
       0.00:   0.00:   0.00:                   89.955 89.993119.949
  631  293-0.0475( 0.05 0.02 0.02) -2305.38  -88.01  0.00 -2387.89 2.66160 53:10
  632  293-0.0377( 0.06 0.04 0.03) -2305.31  -88.01  0.00 -2387.84 2.66292 53:10
  633  293-0.0301( 0.07 0.05 0.04) -2305.25  -88.03  0.00 -2387.78 2.66416 53:10
  634  294-0.0245( 0.07 0.06 0.04) -2305.18  -88.05  0.00 -2387.72 2.66528 53:10
  635  295-0.0247( 0.07 0.06 0.04) -2305.10  -88.10  0.00 -2387.68 2.66632 53:11
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.514 24.517 21.560
       0.00:   0.00:   0.00:                   89.947 90.001119.955
  636  296-0.0257( 0.07 0.06 0.04) -2305.03  -88.16  0.00 -2387.64 2.66732 53:11
  637  297-0.0237( 0.07 0.06 0.04) -2304.98  -88.20  0.00 -2387.61 2.66826 53:11
  638  298-0.0186( 0.08 0.07 0.04) -2304.96  -88.23  0.00 -2387.59 2.66900 53:11
  639  299-0.0203( 0.07 0.07 0.04) -2304.92  -88.28  0.00 -2387.59 2.66969 53:11
  640  300-0.0169( 0.08 0.07 0.04) -2304.91  -88.30  0.00 -2387.59 2.67033 53:11
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.511 24.505 21.541
       0.00:   0.00:   0.00:                   89.948 89.989119.957
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  641  300-0.0054( 0.09 0.08 0.05) -2304.93  -88.28  0.00 -2387.59 2.67049 53:11
  642  300-0.0233( 0.07 0.07 0.03) -2304.87  -88.36  0.00 -2387.60 2.67123 53:11
  643  300 0.0201( 0.11 0.11 0.08) -2305.02  -88.22  0.00 -2387.61 2.67058 53:11
  644  300-0.0458( 0.04 0.05 0.01) -2304.81  -88.43  0.00 -2387.61 2.67183 53:11
  645  301 0.0623( 0.15 0.15 0.12) -2305.19  -88.07  0.00 -2387.63 2.67039 53:11
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.517 24.509 21.533
       0.00:   0.00:   0.00:                   89.947 89.984119.959
  646  301-0.0534( 0.03 0.04 0.00) -2304.83  -88.45  0.00 -2387.63 2.67152 53:11
  647  301 0.0600( 0.14 0.15 0.12) -2305.23  -88.06  0.00 -2387.65 2.67052 53:11
  648  302-0.0040( 0.07 0.09 0.06) -2305.05  -88.26  0.00 -2387.66 2.67067 53:11
  649  302 0.0357( 0.11 0.13 0.11) -2305.22  -88.12  0.00 -2387.68 2.67024 53:11
  650  303 0.0303( 0.09 0.12 0.11) -2305.25  -88.13  0.00 -2387.71 2.66990 53:12
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.519 24.515 21.532
       0.00:   0.00:   0.00:                   89.946 89.990119.968
  651  303 0.0358( 0.09 0.13 0.12) -2305.31  -88.11  0.00 -2387.74 2.66952 53:12
  652  303 0.0413( 0.09 0.13 0.14) -2305.38  -88.08  0.00 -2387.78 2.66909 53:12
  653  303 0.0471( 0.09 0.14 0.15) -2305.45  -88.05  0.00 -2387.81 2.66867 53:12
  654  303 0.0570( 0.10 0.15 0.16) -2305.53  -88.00  0.00 -2387.85 2.66822 53:12
  655  303 0.0680( 0.11 0.16 0.17) -2305.62  -87.94  0.00 -2387.88 2.66774 53:12
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.522 24.524 21.540
       0.00:   0.00:   0.00:                   89.948 89.997119.979
  656  302 0.0805( 0.12 0.17 0.19) -2305.71  -87.87  0.00 -2387.92 2.66721 53:12
  657  302 0.0925( 0.13 0.18 0.20) -2305.80  -87.79  0.00 -2387.94 2.66658 53:12
  658  301 0.0998( 0.14 0.19 0.20) -2305.87  -87.73  0.00 -2387.96 2.66591 53:12
  659  300 0.1049( 0.16 0.20 0.20) -2305.94  -87.66  0.00 -2387.97 2.66519 53:12
  660  300 0.1083( 0.17 0.20 0.19) -2306.00  -87.60  0.00 -2387.98 2.66445 53:12
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.530 24.537 21.550
       0.00:   0.00:   0.00:                   89.952 90.002119.986
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  661  299 0.1099( 0.18 0.19 0.19) -2306.05  -87.53  0.00 -2387.98 2.66366 53:12
  662  298 0.1062( 0.19 0.18 0.18) -2306.08  -87.49  0.00 -2387.97 2.66285 53:12
  663  298 0.0993( 0.19 0.17 0.17) -2306.09  -87.45  0.00 -2387.96 2.66206 53:12
  664  298 0.0899( 0.19 0.15 0.16) -2306.10  -87.43  0.00 -2387.94 2.66124 53:12
  665  298 0.0720( 0.17 0.12 0.15) -2306.07  -87.44  0.00 -2387.93 2.66050 53:12
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.544 24.548 21.560
       0.00:   0.00:   0.00:                   89.960 90.003119.982
  666  299 0.0538( 0.15 0.10 0.15) -2306.05  -87.47  0.00 -2387.92 2.65988 53:13
  667  299 0.0383( 0.13 0.08 0.14) -2306.02  -87.49  0.00 -2387.91 2.65944 53:13
  668  300 0.0295( 0.11 0.06 0.15) -2306.02  -87.50  0.00 -2387.90 2.65912 53:13
  669  301 0.0228( 0.10 0.05 0.15) -2306.03  -87.52  0.00 -2387.91 2.65888 53:13
  670  301 0.0155( 0.08 0.04 0.16) -2306.02  -87.54  0.00 -2387.92 2.65872 53:13
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.549 24.542 21.570
       0.00:   0.00:   0.00:                   89.974 89.996119.964
  671  301 0.0087( 0.07 0.02 0.17) -2306.02  -87.56  0.00 -2387.93 2.65864 53:13
  672  300 0.0036( 0.06 0.01 0.18) -2306.01  -87.57  0.00 -2387.95 2.65860 53:13
  673  300-0.0015( 0.04 0.00 0.19) -2305.99  -87.58  0.00 -2387.95 2.65860 53:13
  674  298-0.0064( 0.03-0.01 0.20) -2305.97  -87.58  0.00 -2387.95 2.65863 53:13
  675  297-0.0111( 0.01-0.01 0.20) -2305.94  -87.58  0.00 -2387.94 2.65868 53:13
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.543 24.532 21.582
       0.00:   0.00:   0.00:                   89.982 89.991119.950
  676  296-0.0155( 0.00-0.01 0.20) -2305.90  -87.57  0.00 -2387.92 2.65877 53:13
  677  295-0.0201(-0.01-0.01 0.20) -2305.86  -87.56  0.00 -2387.89 2.65890 53:13
  678  295-0.0246(-0.02-0.01 0.20) -2305.82  -87.55  0.00 -2387.85 2.65908 53:13
  679  295-0.0294(-0.03-0.01 0.19) -2305.78  -87.55  0.00 -2387.80 2.65932 53:13
  680  295-0.0343(-0.04-0.00 0.17) -2305.73  -87.55  0.00 -2387.76 2.65963 53:13
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.530 24.521 21.595
       0.00:   0.00:   0.00:                   89.986 89.990119.946
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  681  295-0.0391(-0.04 0.00 0.16) -2305.69  -87.56  0.00 -2387.71 2.66003 53:14
  682  296-0.0434(-0.04 0.00 0.15) -2305.65  -87.58  0.00 -2387.68 2.66051 53:14
  683  297-0.0470(-0.04 0.01 0.13) -2305.61  -87.60  0.00 -2387.65 2.66115 53:14
  684  298-0.0443(-0.03 0.01 0.12) -2305.60  -87.61  0.00 -2387.63 2.66188 53:14
  685  299-0.0393(-0.01 0.02 0.11) -2305.59  -87.62  0.00 -2387.62 2.66269 53:14
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.509 24.508 21.603
       0.00:   0.00:   0.00:                   89.981 90.000119.959
  686  299-0.0331( 0.00 0.03 0.11) -2305.59  -87.64  0.00 -2387.61 2.66356 53:14
  687  300-0.0262( 0.02 0.03 0.10) -2305.58  -87.65  0.00 -2387.61 2.66445 53:14
  688  300-0.0195( 0.04 0.04 0.09) -2305.57  -87.67  0.00 -2387.62 2.66535 53:14
  689  300-0.0131( 0.06 0.05 0.09) -2305.56  -87.69  0.00 -2387.63 2.66625 53:14
  690  300-0.0076( 0.07 0.06 0.09) -2305.53  -87.71  0.00 -2387.63 2.66712 53:14
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.489 24.491 21.606
       0.00:   0.00:   0.00:                   89.967 90.033119.988
  691  299-0.0035( 0.08 0.06 0.09) -2305.51  -87.74  0.00 -2387.64 2.66797 53:14
  692  299 0.0002( 0.08 0.07 0.09) -2305.47  -87.76  0.00 -2387.63 2.66865 53:14
  693  298-0.0090( 0.07 0.06 0.07) -2305.40  -87.83  0.00 -2387.63 2.66954 53:14
  694  298 0.0010( 0.08 0.07 0.09) -2305.38  -87.83  0.00 -2387.62 2.67003 53:14
  695  298-0.0216( 0.06 0.05 0.06) -2305.27  -87.93  0.00 -2387.61 2.67108 53:14
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.480 24.475 21.601
       0.00:   0.00:   0.00:                   89.961 90.064120.017
  696  299 0.0046( 0.08 0.08 0.09) -2305.32  -87.88  0.00 -2387.60 2.67135 53:15
  697  299-0.0368( 0.04 0.03 0.05) -2305.15  -88.05  0.00 -2387.59 2.67253 53:15
  698  300 0.0003( 0.08 0.07 0.09) -2305.25  -87.97  0.00 -2387.59 2.67279 53:15
  699  301-0.0420( 0.04 0.03 0.04) -2305.09  -88.15  0.00 -2387.60 2.67381 53:15
  700  302-0.0196( 0.06 0.05 0.06) -2305.15  -88.12  0.00 -2387.61 2.67446 53:15
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.472 24.462 21.595
       0.00:   0.00:   0.00:                   89.970 90.066120.024
 -------------------------------------------------------------------------------
 Avr   299-0.0458( 0.02 0.01 0.07) -2305.63  -87.71  0.00 -2387.73 2.65600
 Std     2 0.1012( 0.12 0.12 0.09)     0.45    0.50  0.00     0.17 0.01707
 -------------------------------------------------------------------------------
 Temperatures: O : 295 Si: 309
 -------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  ============
 <<<=====   Quartz                                                       ====>>>
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  701  302-0.0295( 0.06 0.05 0.05) -2305.10  -88.20  0.00 -2387.64 2.67517 53:15
  702  303-0.0326( 0.06 0.04 0.04) -2305.09  -88.26  0.00 -2387.67 2.67588 53:15
  703  303-0.0347( 0.06 0.04 0.03) -2305.07  -88.31  0.00 -2387.70 2.67657 53:15
  704  303-0.0364( 0.06 0.04 0.02) -2305.06  -88.36  0.00 -2387.74 2.67722 53:15
  705  303-0.0372( 0.07 0.04 0.02) -2305.04  -88.41  0.00 -2387.78 2.67790 53:15
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.466 24.449 21.582
       0.00:   0.00:   0.00:                   89.983 90.053120.016
  706  302-0.0320( 0.08 0.05 0.02) -2305.04  -88.43  0.00 -2387.81 2.67848 53:15
  707  302-0.0298( 0.08 0.05 0.01) -2305.03  -88.46  0.00 -2387.83 2.67898 53:15
  708  301-0.0307( 0.09 0.06 0.00) -2305.00  -88.49  0.00 -2387.85 2.67944 53:15
  709  300-0.0296( 0.09 0.06-0.01) -2304.98  -88.51  0.00 -2387.87 2.67984 53:15
  710  300-0.0291( 0.10 0.06-0.01) -2304.96  -88.54  0.00 -2387.88 2.68019 53:15
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.467 24.442 21.565
       0.00:   0.00:   0.00:                   89.996 90.037119.999
  711  300-0.0280( 0.10 0.07-0.02) -2304.93  -88.56  0.00 -2387.88 2.68050 53:16
  712  299-0.0269( 0.11 0.08-0.03) -2304.91  -88.58  0.00 -2387.88 2.68077 53:16
  713  300-0.0254( 0.11 0.09-0.04) -2304.90  -88.60  0.00 -2387.88 2.68098 53:16
  714  300-0.0253( 0.12 0.10-0.05) -2304.88  -88.62  0.00 -2387.88 2.68115 53:16
  715  300-0.0241( 0.12 0.11-0.07) -2304.87  -88.64  0.00 -2387.88 2.68129 53:16
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.473 24.444 21.547
       0.00:   0.00:   0.00:                   90.002 90.027119.985
  716  300-0.0214( 0.12 0.12-0.08) -2304.86  -88.65  0.00 -2387.89 2.68140 53:16
  717  300-0.0166( 0.13 0.14-0.09) -2304.86  -88.64  0.00 -2387.89 2.68148 53:16
  718  299-0.0091( 0.14 0.16-0.09) -2304.87  -88.63  0.00 -2387.90 2.68150 53:16
  719  299-0.0000( 0.15 0.18-0.09) -2304.89  -88.60  0.00 -2387.89 2.68147 53:16
  720  298 0.0102( 0.15 0.20-0.09) -2304.91  -88.57  0.00 -2387.89 2.68136 53:16
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.481 24.454 21.529
       0.00:   0.00:   0.00:                   90.006 90.024119.981
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  721  297 0.0212( 0.16 0.21-0.08) -2304.92  -88.52  0.00 -2387.87 2.68118 53:16
  722  296 0.0328( 0.17 0.22-0.06) -2304.94  -88.47  0.00 -2387.85 2.68092 53:16
  723  295 0.0444( 0.18 0.23-0.04) -2304.95  -88.41  0.00 -2387.82 2.68058 53:16
  724  295 0.0557( 0.18 0.23-0.02) -2304.96  -88.34  0.00 -2387.78 2.68016 53:16
  725  294 0.0664( 0.19 0.24 0.01) -2304.97  -88.28  0.00 -2387.74 2.67968 53:16
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.495 24.472 21.515
       0.00:   0.00:   0.00:                   90.011 90.022119.983
  726  294 0.0763( 0.19 0.23 0.03) -2304.99  -88.22  0.00 -2387.69 2.67910 53:17
  727  295 0.0829( 0.19 0.22 0.06) -2305.00  -88.16  0.00 -2387.64 2.67845 53:17
  728  295 0.0874( 0.19 0.21 0.09) -2305.01  -88.12  0.00 -2387.60 2.67773 53:17
  729  296 0.0902( 0.19 0.19 0.12) -2305.02  -88.08  0.00 -2387.56 2.67696 53:17
  730  297 0.0918( 0.19 0.17 0.15) -2305.04  -88.05  0.00 -2387.52 2.67615 53:17
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.511 24.489 21.515
       0.00:   0.00:   0.00:                   90.017 90.021119.984
  731  298 0.0923( 0.19 0.15 0.17) -2305.06  -88.02  0.00 -2387.50 2.67529 53:17
  732  299 0.0919( 0.18 0.13 0.19) -2305.09  -87.99  0.00 -2387.48 2.67439 53:17
  733  300 0.0906( 0.18 0.12 0.21) -2305.12  -87.96  0.00 -2387.47 2.67346 53:17
  734  300 0.0886( 0.17 0.11 0.22) -2305.16  -87.94  0.00 -2387.47 2.67251 53:17
  735  301 0.0861( 0.17 0.10 0.23) -2305.20  -87.92  0.00 -2387.48 2.67153 53:17
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.525 24.494 21.534
       0.00:   0.00:   0.00:                   90.020 90.026119.979
  736  302 0.0833( 0.16 0.10 0.23) -2305.26  -87.90  0.00 -2387.50 2.67054 53:17
  737  303 0.0804( 0.15 0.10 0.23) -2305.31  -87.88  0.00 -2387.52 2.66952 53:17
  738  303 0.0776( 0.14 0.10 0.22) -2305.37  -87.86  0.00 -2387.55 2.66848 53:17
  739  303 0.0752( 0.14 0.11 0.22) -2305.44  -87.83  0.00 -2387.58 2.66741 53:17
  740  303 0.0731( 0.13 0.11 0.21) -2305.50  -87.80  0.00 -2387.62 2.66630 53:17
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.536 24.499 21.561
       0.00:   0.00:   0.00:                   90.019 90.035119.976
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  741  303 0.0714( 0.13 0.12 0.21) -2305.57  -87.76  0.00 -2387.65 2.66515 53:17
  742  302 0.0698( 0.13 0.12 0.20) -2305.63  -87.71  0.00 -2387.68 2.66394 53:18
  743  301 0.0681( 0.13 0.12 0.20) -2305.69  -87.65  0.00 -2387.70 2.66269 53:18
  744  300 0.0665( 0.12 0.12 0.19) -2305.74  -87.59  0.00 -2387.71 2.66125 53:18
  745  299 0.0528( 0.11 0.11 0.18) -2305.74  -87.56  0.00 -2387.71 2.65991 53:18
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.548 24.511 21.592
       0.00:   0.00:   0.00:                   90.016 90.042119.977
  746  297 0.0512( 0.11 0.11 0.17) -2305.78  -87.49  0.00 -2387.69 2.65865 53:18
  747  297 0.0594( 0.12 0.12 0.18) -2305.85  -87.38  0.00 -2387.67 2.65738 53:18
  748  296 0.0676( 0.13 0.13 0.19) -2305.91  -87.28  0.00 -2387.64 2.65613 53:18
  749  296 0.0770( 0.13 0.14 0.20) -2305.97  -87.17  0.00 -2387.61 2.65490 53:18
  750  296 0.0867( 0.14 0.15 0.21) -2306.04  -87.07  0.00 -2387.57 2.65371 53:18
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.561 24.524 21.619
       0.00:   0.00:   0.00:                   90.015 90.041119.978
  751  296 0.0969( 0.15 0.16 0.22) -2306.10  -86.97  0.00 -2387.53 2.65256 53:18
  752  297 0.1075( 0.16 0.18 0.23) -2306.17  -86.89  0.00 -2387.50 2.65147 53:18
  753  298 0.1185( 0.16 0.20 0.23) -2306.24  -86.80  0.00 -2387.47 2.65044 53:18
  754  298 0.1302( 0.17 0.22 0.24) -2306.32  -86.72  0.00 -2387.45 2.64941 53:18
  755  299 0.1386( 0.18 0.25 0.23) -2306.39  -86.66  0.00 -2387.44 2.64834 53:18
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.575 24.540 21.638
       0.00:   0.00:   0.00:                   90.017 90.037119.984
  756  300 0.1382( 0.17 0.26 0.22) -2306.43  -86.63  0.00 -2387.44 2.64722 53:18
  757  300 0.1311( 0.17 0.27 0.20) -2306.45  -86.62  0.00 -2387.45 2.64613 53:19
  758  300 0.1230( 0.16 0.28 0.17) -2306.47  -86.62  0.00 -2387.45 2.64507 53:19
  759  300 0.1154( 0.16 0.28 0.15) -2306.48  -86.61  0.00 -2387.46 2.64404 53:19
  760  300 0.1082( 0.16 0.27 0.13) -2306.50  -86.59  0.00 -2387.47 2.64304 53:19
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.591 24.565 21.649
       0.00:   0.00:   0.00:                   90.025 90.031119.998
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  761  300 0.1010( 0.17 0.27 0.11) -2306.52  -86.58  0.00 -2387.47 2.64207 53:19
  762  300 0.0933( 0.17 0.26 0.09) -2306.53  -86.57  0.00 -2387.48 2.64115 53:19
  763  300 0.0847( 0.18 0.24 0.08) -2306.55  -86.57  0.00 -2387.48 2.64036 53:19
  764  301 0.0822( 0.18 0.23 0.07) -2306.58  -86.55  0.00 -2387.49 2.63961 53:19
  765  302 0.0784( 0.19 0.22 0.07) -2306.61  -86.55  0.00 -2387.51 2.63893 53:19
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.609 24.589 21.647
       0.00:   0.00:   0.00:                   90.038 90.023120.005
  766  302 0.0732( 0.19 0.20 0.07) -2306.64  -86.55  0.00 -2387.53 2.63831 53:19
  767  303 0.0667( 0.19 0.19 0.06) -2306.66  -86.57  0.00 -2387.55 2.63769 53:19
  768  303 0.0545( 0.18 0.17 0.06) -2306.66  -86.61  0.00 -2387.59 2.63714 53:19
  769  304 0.0417( 0.16 0.15 0.05) -2306.66  -86.66  0.00 -2387.62 2.63667 53:19
  770  304 0.0299( 0.15 0.14 0.05) -2306.65  -86.70  0.00 -2387.66 2.63629 53:19
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.623 24.602 21.643
       0.00:   0.00:   0.00:                   90.047 90.014119.998
  771  304 0.0195( 0.13 0.12 0.05) -2306.64  -86.75  0.00 -2387.70 2.63598 53:19
  772  303 0.0107( 0.12 0.11 0.05) -2306.64  -86.79  0.00 -2387.74 2.63571 53:20
  773  303 0.0013( 0.10 0.10 0.05) -2306.62  -86.84  0.00 -2387.78 2.63554 53:20
  774  302-0.0045( 0.09 0.09 0.05) -2306.61  -86.87  0.00 -2387.81 2.63543 53:20
  775  302-0.0075( 0.08 0.08 0.06) -2306.60  -86.90  0.00 -2387.84 2.63539 53:20
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.630 24.606 21.639
       0.00:   0.00:   0.00:                   90.048 90.003119.990
  776  301-0.0082( 0.08 0.08 0.06) -2306.59  -86.92  0.00 -2387.86 2.63539 53:20
  777  301-0.0082( 0.08 0.07 0.06) -2306.58  -86.93  0.00 -2387.87 2.63542 53:20
  778  300-0.0074( 0.08 0.07 0.07) -2306.56  -86.94  0.00 -2387.88 2.63546 53:20
  779  299-0.0064( 0.09 0.07 0.07) -2306.54  -86.95  0.00 -2387.89 2.63553 53:20
  780  298-0.0049( 0.09 0.08 0.07) -2306.51  -86.95  0.00 -2387.88 2.63561 53:20
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.631 24.605 21.637
       0.00:   0.00:   0.00:                   90.043 90.001119.987
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  781  297-0.0039( 0.09 0.08 0.07) -2306.48  -86.95  0.00 -2387.86 2.63572 53:20
  782  297-0.0034( 0.09 0.08 0.07) -2306.44  -86.96  0.00 -2387.84 2.63583 53:20
  783  296-0.0046( 0.08 0.09 0.06) -2306.40  -86.97  0.00 -2387.81 2.63597 53:20
  784  296-0.0075( 0.08 0.09 0.06) -2306.35  -86.99  0.00 -2387.79 2.63613 53:20
  785  297-0.0117( 0.07 0.09 0.05) -2306.30  -87.02  0.00 -2387.76 2.63632 53:20
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.631 24.606 21.632
       0.00:   0.00:   0.00:                   90.037 90.008119.995
  786  297-0.0173( 0.06 0.09 0.04) -2306.25  -87.06  0.00 -2387.73 2.63654 53:20
  787  298-0.0242( 0.06 0.09 0.03) -2306.19  -87.10  0.00 -2387.71 2.63682 53:20
  788  298-0.0300( 0.05 0.09 0.01) -2306.14  -87.15  0.00 -2387.70 2.63712 53:21
  789  299-0.0355( 0.05 0.09 0.00) -2306.10  -87.19  0.00 -2387.69 2.63745 53:21
  790  299-0.0404( 0.05 0.09-0.01) -2306.06  -87.24  0.00 -2387.69 2.63782 53:21
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.628 24.608 21.623
       0.00:   0.00:   0.00:                   90.031 90.014120.005
  791  300-0.0415( 0.06 0.08-0.02) -2306.03  -87.27  0.00 -2387.69 2.63818 53:21
  792  300-0.0440( 0.07 0.08-0.03) -2306.01  -87.30  0.00 -2387.69 2.63853 53:21
  793  300-0.0458( 0.08 0.07-0.04) -2305.98  -87.33  0.00 -2387.70 2.63887 53:21
  794  300-0.0468( 0.09 0.07-0.05) -2305.96  -87.35  0.00 -2387.70 2.63918 53:21
  795  300-0.0483( 0.09 0.06-0.05) -2305.94  -87.38  0.00 -2387.70 2.63951 53:21
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.627 24.608 21.610
       0.00:   0.00:   0.00:                   90.024 90.018120.006
  796  300-0.0469( 0.10 0.06-0.05) -2305.94  -87.39  0.00 -2387.71 2.63981 53:21
  797  300-0.0445( 0.10 0.06-0.05) -2305.94  -87.40  0.00 -2387.71 2.64012 53:21
  798  300-0.0404( 0.10 0.07-0.04) -2305.94  -87.40  0.00 -2387.72 2.64040 53:21
  799  300-0.0359( 0.10 0.07-0.03) -2305.95  -87.40  0.00 -2387.72 2.64068 53:21
  800  301-0.0292( 0.10 0.08-0.01) -2305.98  -87.39  0.00 -2387.73 2.64092 53:21
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.629 24.608 21.596
       0.00:   0.00:   0.00:                   90.016 90.023120.002
 -------------------------------------------------------------------------------
 Avr   300 0.0297( 0.13 0.13 0.07) -2305.77  -87.53  0.00 -2387.68 2.65669
 Std     2 0.0563( 0.04 0.07 0.10)     0.66    0.70  0.00     0.15 0.01830
 -------------------------------------------------------------------------------
 Temperatures: O : 296 Si: 308
 -------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  ============
 <<<=====   Quartz                                                       ====>>>
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  801  301-0.0227( 0.09 0.08 0.01) -2306.00  -87.38  0.00 -2387.75 2.64111 53:21
  802  301-0.0173( 0.08 0.08 0.03) -2306.03  -87.38  0.00 -2387.76 2.64123 53:21
  803  301-0.0140( 0.08 0.08 0.05) -2306.04  -87.38  0.00 -2387.78 2.64130 53:22
  804  301-0.0106( 0.07 0.07 0.07) -2306.06  -87.37  0.00 -2387.80 2.64133 53:22
  805  301-0.0062( 0.07 0.07 0.09) -2306.08  -87.36  0.00 -2387.81 2.64130 53:22
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.629 24.609 21.591
       0.00:   0.00:   0.00:                   90.013 90.023119.996
  806  301-0.0009( 0.08 0.06 0.10) -2306.11  -87.35  0.00 -2387.82 2.64122 53:22
  807  300 0.0056( 0.08 0.06 0.12) -2306.14  -87.32  0.00 -2387.83 2.64110 53:22
  808  300 0.0141( 0.09 0.05 0.14) -2306.18  -87.29  0.00 -2387.84 2.64092 53:22
  809  300 0.0245( 0.10 0.05 0.16) -2306.22  -87.24  0.00 -2387.84 2.64067 53:22
  810  300 0.0341( 0.12 0.05 0.18) -2306.27  -87.19  0.00 -2387.85 2.64035 53:22
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.630 24.605 21.598
       0.00:   0.00:   0.00:                   90.018 90.014119.984
  811  300 0.0434( 0.12 0.05 0.20) -2306.32  -87.15  0.00 -2387.85 2.63995 53:22
  812  299 0.0524( 0.13 0.06 0.21) -2306.37  -87.09  0.00 -2387.85 2.63949 53:22
  813  299 0.0611( 0.13 0.07 0.23) -2306.43  -87.03  0.00 -2387.85 2.63895 53:22
  814  299 0.0691( 0.13 0.08 0.24) -2306.48  -86.97  0.00 -2387.85 2.63836 53:22
  815  299 0.0765( 0.13 0.09 0.25) -2306.54  -86.91  0.00 -2387.84 2.63772 53:22
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.635 24.603 21.615
       0.00:   0.00:   0.00:                   90.024 90.004119.972
  816  299 0.0829( 0.13 0.11 0.25) -2306.59  -86.85  0.00 -2387.84 2.63703 53:22
  817  299 0.0883( 0.13 0.13 0.26) -2306.65  -86.79  0.00 -2387.83 2.63631 53:22
  818  299 0.0926( 0.13 0.14 0.26) -2306.70  -86.73  0.00 -2387.83 2.63556 53:23
  819  299 0.0958( 0.12 0.16 0.25) -2306.74  -86.68  0.00 -2387.82 2.63475 53:23
  820  299 0.0946( 0.12 0.16 0.25) -2306.78  -86.65  0.00 -2387.82 2.63393 53:23
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.642 24.610 21.634
       0.00:   0.00:   0.00:                   90.027 89.997119.972
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  821  299 0.0915( 0.12 0.17 0.23) -2306.80  -86.62  0.00 -2387.81 2.63311 53:23
  822  300 0.0874( 0.12 0.17 0.22) -2306.82  -86.60  0.00 -2387.81 2.63229 53:23
  823  300 0.0827( 0.12 0.17 0.21) -2306.84  -86.59  0.00 -2387.81 2.63156 53:23
  824  300 0.0841( 0.12 0.18 0.20) -2306.88  -86.55  0.00 -2387.81 2.63086 53:23
  825  300 0.0859( 0.13 0.18 0.19) -2306.92  -86.52  0.00 -2387.81 2.63017 53:23
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.649 24.622 21.650
       0.00:   0.00:   0.00:                   90.028 89.997119.981
  826  300 0.0871( 0.13 0.19 0.19) -2306.95  -86.48  0.00 -2387.82 2.62949 53:23
  827  300 0.0875( 0.14 0.19 0.18) -2306.98  -86.45  0.00 -2387.82 2.62880 53:23
  828  300 0.0841( 0.13 0.19 0.17) -2307.00  -86.43  0.00 -2387.82 2.62809 53:23
  829  300 0.0757( 0.13 0.19 0.16) -2307.00  -86.43  0.00 -2387.82 2.62733 53:23
  830  299 0.0592( 0.12 0.17 0.14) -2306.98  -86.45  0.00 -2387.82 2.62659 53:23
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.657 24.638 21.660
       0.00:   0.00:   0.00:                   90.022 90.003119.990
  831  299 0.0418( 0.10 0.15 0.12) -2306.94  -86.48  0.00 -2387.82 2.62594 53:23
  832  299 0.0266( 0.10 0.13 0.10) -2306.92  -86.51  0.00 -2387.81 2.62538 53:23
  833  299 0.0146( 0.09 0.11 0.09) -2306.90  -86.52  0.00 -2387.81 2.62491 53:24
  834  299 0.0056( 0.09 0.08 0.08) -2306.89  -86.53  0.00 -2387.81 2.62456 53:24
  835  299 0.0024( 0.10 0.07 0.08) -2306.89  -86.52  0.00 -2387.81 2.62431 53:24
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.662 24.650 21.664
       0.00:   0.00:   0.00:                   90.001 90.022119.991
  836  299 0.0026( 0.11 0.06 0.08) -2306.89  -86.50  0.00 -2387.80 2.62410 53:24
  837  298 0.0011( 0.11 0.05 0.08) -2306.89  -86.49  0.00 -2387.79 2.62394 53:24
  838  297-0.0004( 0.11 0.04 0.08) -2306.87  -86.48  0.00 -2387.78 2.62384 53:24
  839  297-0.0025( 0.12 0.03 0.08) -2306.85  -86.47  0.00 -2387.76 2.62378 53:24
  840  296-0.0054( 0.12 0.02 0.08) -2306.82  -86.46  0.00 -2387.73 2.62376 53:24
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.664 24.649 21.666
       0.00:   0.00:   0.00:                   89.986 90.036119.981
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  841  295-0.0097( 0.11 0.02 0.08) -2306.78  -86.45  0.00 -2387.70 2.62379 53:24
  842  295-0.0148( 0.11 0.02 0.08) -2306.73  -86.46  0.00 -2387.66 2.62387 53:24
  843  294-0.0204( 0.09 0.02 0.07) -2306.68  -86.46  0.00 -2387.62 2.62401 53:24
  844  294-0.0260( 0.08 0.02 0.06) -2306.62  -86.47  0.00 -2387.57 2.62419 53:24
  845  294-0.0329( 0.06 0.03 0.05) -2306.55  -86.48  0.00 -2387.52 2.62443 53:24
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.662 24.643 21.665
       0.00:   0.00:   0.00:                   89.979 90.043119.975
  846  294-0.0400( 0.04 0.04 0.04) -2306.48  -86.50  0.00 -2387.47 2.62473 53:24
  847  294-0.0475( 0.02 0.05 0.03) -2306.41  -86.52  0.00 -2387.42 2.62509 53:24
  848  294-0.0557(-0.00 0.06 0.02) -2306.33  -86.55  0.00 -2387.37 2.62550 53:25
  849  295-0.0647(-0.02 0.06 0.00) -2306.25  -86.59  0.00 -2387.32 2.62599 53:25
  850  295-0.0747(-0.03 0.06-0.01) -2306.17  -86.64  0.00 -2387.28 2.62655 53:25
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.654 24.640 21.659
       0.00:   0.00:   0.00:                   89.975 90.046119.983
  851  296-0.0855(-0.05 0.05-0.02) -2306.09  -86.70  0.00 -2387.24 2.62719 53:25
  852  297-0.0973(-0.06 0.04-0.04) -2306.01  -86.77  0.00 -2387.21 2.62793 53:25
  853  299-0.1097(-0.07 0.03-0.05) -2305.94  -86.86  0.00 -2387.19 2.62875 53:25
  854  301-0.1221(-0.07 0.01-0.06) -2305.87  -86.95  0.00 -2387.19 2.62968 53:25
  855  302-0.1341(-0.08-0.01-0.07) -2305.82  -87.05  0.00 -2387.21 2.63070 53:25
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.640 24.634 21.646
       0.00:   0.00:   0.00:                   89.973 90.045119.994
  856  304-0.1446(-0.08-0.03-0.08) -2305.77  -87.16  0.00 -2387.24 2.63180 53:25
  857  305-0.1532(-0.08-0.05-0.09) -2305.73  -87.26  0.00 -2387.28 2.63296 53:25
  858  305-0.1594(-0.08-0.06-0.10) -2305.70  -87.35  0.00 -2387.33 2.63418 53:25
  859  305-0.1625(-0.08-0.07-0.10) -2305.68  -87.43  0.00 -2387.39 2.63543 53:25
  860  305-0.1628(-0.08-0.07-0.10) -2305.66  -87.49  0.00 -2387.44 2.63669 53:25
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.621 24.618 21.628
       0.00:   0.00:   0.00:                   89.972 90.045119.994
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  861  304-0.1605(-0.08-0.07-0.10) -2305.65  -87.54  0.00 -2387.50 2.63813 53:25
  862  302-0.1395(-0.06-0.04-0.08) -2305.69  -87.52  0.00 -2387.54 2.63959 53:25
  863  301-0.1139(-0.04-0.02-0.05) -2305.74  -87.47  0.00 -2387.57 2.64098 53:26
  864  300-0.0914(-0.01 0.01-0.03) -2305.77  -87.44  0.00 -2387.58 2.64228 53:26
  865  299-0.0736( 0.00 0.03-0.01) -2305.77  -87.41  0.00 -2387.59 2.64352 53:26
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.600 24.601 21.605
       0.00:   0.00:   0.00:                   89.972 90.049119.995
  866  298-0.0601( 0.02 0.04 0.01) -2305.76  -87.40  0.00 -2387.58 2.64472 53:26
  867  298-0.0495( 0.03 0.04 0.02) -2305.74  -87.41  0.00 -2387.57 2.64588 53:26
  868  298-0.0413( 0.04 0.05 0.03) -2305.71  -87.42  0.00 -2387.55 2.64703 53:26
  869  298-0.0350( 0.04 0.05 0.04) -2305.68  -87.44  0.00 -2387.54 2.64817 53:26
  870  298-0.0297( 0.05 0.05 0.05) -2305.64  -87.47  0.00 -2387.53 2.64929 53:26
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.582 24.586 21.587
       0.00:   0.00:   0.00:                   89.980 90.047119.996
  871  299-0.0260( 0.05 0.05 0.06) -2305.61  -87.51  0.00 -2387.52 2.65040 53:26
  872  299-0.0219( 0.05 0.05 0.07) -2305.57  -87.54  0.00 -2387.51 2.65130 53:26
  873  300-0.0337( 0.04 0.04 0.06) -2305.49  -87.63  0.00 -2387.51 2.65245 53:26
  874  300-0.0205( 0.05 0.05 0.08) -2305.49  -87.63  0.00 -2387.51 2.65322 53:26
  875  299-0.0354( 0.03 0.04 0.06) -2305.40  -87.72  0.00 -2387.52 2.65437 53:26
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.564 24.564 21.579
       0.00:   0.00:   0.00:                   89.991 90.034119.989
  876  299-0.0112( 0.06 0.06 0.09) -2305.44  -87.67  0.00 -2387.52 2.65468 53:26
  877  298-0.0525( 0.01 0.02 0.05) -2305.26  -87.83  0.00 -2387.51 2.65623 53:26
  878  298 0.0208( 0.08 0.10 0.12) -2305.47  -87.61  0.00 -2387.50 2.65560 53:27
  879  297-0.0880(-0.03-0.01 0.01) -2305.06  -87.98  0.00 -2387.48 2.65758 53:27
  880  297 0.0372( 0.10 0.12 0.13) -2305.45  -87.57  0.00 -2387.46 2.65679 53:27
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.551 24.554 21.580
       0.00:   0.00:   0.00:                   89.994 90.025119.989
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  881  297-0.0726(-0.02 0.02 0.02) -2305.05  -87.95  0.00 -2387.43 2.65801 53:27
  882  297-0.0019( 0.05 0.10 0.08) -2305.26  -87.72  0.00 -2387.41 2.65801 53:27
  883  297-0.0328( 0.02 0.08 0.04) -2305.13  -87.83  0.00 -2387.38 2.65844 53:27
  884  298-0.0215( 0.04 0.09 0.04) -2305.15  -87.80  0.00 -2387.37 2.65873 53:27
  885  299-0.0200( 0.04 0.10 0.04) -2305.15  -87.80  0.00 -2387.35 2.65897 53:27
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.542 24.553 21.573
       0.00:   0.00:   0.00:                   89.994 90.022120.000
  886  300-0.0192( 0.05 0.10 0.03) -2305.15  -87.82  0.00 -2387.35 2.65917 53:27
  887  301-0.0183( 0.05 0.11 0.03) -2305.16  -87.83  0.00 -2387.35 2.65933 53:27
  888  302-0.0173( 0.06 0.11 0.02) -2305.17  -87.85  0.00 -2387.37 2.65946 53:27
  889  302-0.0148( 0.06 0.10 0.03) -2305.20  -87.86  0.00 -2387.39 2.65955 53:27
  890  303-0.0118( 0.07 0.10 0.03) -2305.23  -87.86  0.00 -2387.42 2.65956 53:27
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.541 24.561 21.564
       0.00:   0.00:   0.00:                   89.988 90.022120.008
  891  303-0.0102( 0.07 0.09 0.04) -2305.26  -87.86  0.00 -2387.45 2.65951 53:27
  892  303-0.0089( 0.07 0.09 0.05) -2305.28  -87.86  0.00 -2387.48 2.65941 53:27
  893  302-0.0069( 0.07 0.08 0.06) -2305.32  -87.86  0.00 -2387.51 2.65925 53:27
  894  302-0.0052( 0.07 0.08 0.07) -2305.36  -87.85  0.00 -2387.53 2.65907 53:28
  895  302-0.0014( 0.07 0.09 0.08) -2305.40  -87.82  0.00 -2387.56 2.65883 53:28
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.541 24.568 21.562
       0.00:   0.00:   0.00:                   89.976 90.021120.005
  896  302 0.0013( 0.06 0.09 0.08) -2305.45  -87.80  0.00 -2387.59 2.65861 53:28
  897  303 0.0077( 0.06 0.11 0.09) -2305.52  -87.76  0.00 -2387.62 2.65831 53:28
  898  303 0.0103( 0.06 0.11 0.09) -2305.58  -87.74  0.00 -2387.64 2.65804 53:28
  899  303 0.0178( 0.06 0.12 0.10) -2305.65  -87.69  0.00 -2387.67 2.65770 53:28
  900  303 0.0217( 0.07 0.13 0.10) -2305.72  -87.66  0.00 -2387.70 2.65736 53:28
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.542 24.578 21.568
       0.00:   0.00:   0.00:                   89.971 90.017120.017
 -------------------------------------------------------------------------------
 Avr   299-0.0127( 0.06 0.07 0.08) -2306.06  -87.16  0.00 -2387.60 2.64046
 Std     2 0.0656( 0.06 0.06 0.09)     0.61    0.52  0.00     0.20 0.01271
 -------------------------------------------------------------------------------
 Temperatures: O : 297 Si: 305
 -------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  ============
 <<<=====   Quartz                                                       ====>>>
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  901  302 0.0266( 0.07 0.14 0.10) -2305.78  -87.61  0.00 -2387.73 2.65699 53:28
  902  302 0.0312( 0.08 0.14 0.11) -2305.84  -87.57  0.00 -2387.76 2.65664 53:28
  903  301 0.0386( 0.10 0.14 0.11) -2305.91  -87.51  0.00 -2387.78 2.65628 53:28
  904  301 0.0460( 0.11 0.14 0.12) -2305.97  -87.46  0.00 -2387.79 2.65587 53:28
  905  300 0.0500( 0.13 0.13 0.12) -2306.01  -87.41  0.00 -2387.80 2.65546 53:28
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.548 24.585 21.574
       0.00:   0.00:   0.00:                   89.973 90.009120.027
  906  299 0.0526( 0.14 0.12 0.13) -2306.05  -87.37  0.00 -2387.80 2.65505 53:28
  907  299 0.0540( 0.16 0.10 0.13) -2306.07  -87.34  0.00 -2387.80 2.65465 53:28
  908  299 0.0542( 0.17 0.08 0.14) -2306.09  -87.32  0.00 -2387.80 2.65425 53:28
  909  299 0.0518( 0.18 0.06 0.15) -2306.10  -87.31  0.00 -2387.80 2.65387 53:29
  910  300 0.0483( 0.19 0.04 0.15) -2306.11  -87.31  0.00 -2387.80 2.65352 53:29
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.557 24.583 21.581
       0.00:   0.00:   0.00:                   89.979 90.000120.017
  911  300 0.0444( 0.18 0.02 0.16) -2306.12  -87.31  0.00 -2387.80 2.65319 53:29
  912  300 0.0404( 0.18 0.01 0.17) -2306.12  -87.31  0.00 -2387.80 2.65289 53:29
  913  300 0.0366( 0.16 0.00 0.18) -2306.13  -87.31  0.00 -2387.81 2.65262 53:29
  914  300 0.0332( 0.15 0.00 0.19) -2306.14  -87.30  0.00 -2387.82 2.65236 53:29
  915  300 0.0300( 0.12 0.00 0.20) -2306.15  -87.29  0.00 -2387.82 2.65211 53:29
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.563 24.573 21.591
       0.00:   0.00:   0.00:                   89.988 89.989119.993
  916  299 0.0259( 0.10 0.01 0.20) -2306.15  -87.28  0.00 -2387.82 2.65186 53:29
  917  298 0.0210( 0.07 0.02 0.21) -2306.14  -87.26  0.00 -2387.82 2.65166 53:29
  918  297 0.0178( 0.05 0.03 0.21) -2306.14  -87.24  0.00 -2387.81 2.65148 53:29
  919  297 0.0139( 0.03 0.03 0.21) -2306.12  -87.23  0.00 -2387.79 2.65131 53:29
  920  296 0.0084( 0.01 0.04 0.21) -2306.09  -87.22  0.00 -2387.76 2.65118 53:29
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.559 24.566 21.605
       0.00:   0.00:   0.00:                   89.997 89.981119.980
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  921  296 0.0010(-0.00 0.04 0.20) -2306.05  -87.22  0.00 -2387.72 2.65111 53:29
  922  296-0.0066(-0.01 0.03 0.19) -2306.00  -87.23  0.00 -2387.69 2.65110 53:29
  923  296-0.0155(-0.02 0.03 0.18) -2305.94  -87.25  0.00 -2387.65 2.65116 53:29
  924  296-0.0251(-0.02 0.02 0.16) -2305.88  -87.28  0.00 -2387.62 2.65131 53:30
  925  297-0.0350(-0.02 0.01 0.15) -2305.82  -87.33  0.00 -2387.59 2.65155 53:30
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.549 24.561 21.615
       0.00:   0.00:   0.00:                   89.999 89.981119.977
  926  298-0.0437(-0.02-0.00 0.13) -2305.77  -87.38  0.00 -2387.56 2.65189 53:30
  927  299-0.0507(-0.01-0.01 0.11) -2305.72  -87.43  0.00 -2387.55 2.65232 53:30
  928  300-0.0557( 0.00-0.02 0.09) -2305.69  -87.48  0.00 -2387.55 2.65283 53:30
  929  301-0.0587( 0.01-0.03 0.07) -2305.66  -87.53  0.00 -2387.56 2.65334 53:30
  930  301-0.0645( 0.02-0.03 0.06) -2305.62  -87.59  0.00 -2387.57 2.65388 53:30
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.537 24.549 21.617
       0.00:   0.00:   0.00:                   89.994 89.988119.973
  931  301-0.0703( 0.02-0.03 0.04) -2305.58  -87.65  0.00 -2387.58 2.65445 53:30
  932  301-0.0757( 0.03-0.04 0.02) -2305.55  -87.70  0.00 -2387.60 2.65503 53:30
  933  301-0.0808( 0.03-0.03 0.00) -2305.52  -87.74  0.00 -2387.62 2.65567 53:30
  934  301-0.0808( 0.03-0.02-0.01) -2305.50  -87.77  0.00 -2387.64 2.65634 53:30
  935  300-0.0793( 0.03-0.01-0.02) -2305.49  -87.79  0.00 -2387.65 2.65702 53:30
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.528 24.537 21.609
       0.00:   0.00:   0.00:                   89.982 89.999119.971
  936  300-0.0777( 0.04 0.00-0.03) -2305.48  -87.81  0.00 -2387.66 2.65771 53:30
  937  300-0.0766( 0.04 0.02-0.05) -2305.46  -87.83  0.00 -2387.67 2.65841 53:30
  938  300-0.0761( 0.04 0.03-0.06) -2305.44  -87.86  0.00 -2387.68 2.65915 53:30
  939  301-0.0760( 0.04 0.04-0.07) -2305.43  -87.89  0.00 -2387.69 2.65991 53:31
  940  301-0.0758( 0.05 0.04-0.08) -2305.41  -87.93  0.00 -2387.70 2.66071 53:31
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.522 24.530 21.592
       0.00:   0.00:   0.00:                   89.966 90.008119.978
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  941  302-0.0752( 0.05 0.05-0.08) -2305.40  -87.97  0.00 -2387.72 2.66153 53:31
  942  302-0.0738( 0.05 0.05-0.08) -2305.38  -88.02  0.00 -2387.74 2.66237 53:31
  943  302-0.0713( 0.06 0.04-0.08) -2305.37  -88.06  0.00 -2387.77 2.66322 53:31
  944  302-0.0675( 0.06 0.04-0.07) -2305.37  -88.10  0.00 -2387.80 2.66405 53:31
  945  302-0.0626( 0.07 0.04-0.05) -2305.36  -88.13  0.00 -2387.83 2.66485 53:31
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.518 24.524 21.567
       0.00:   0.00:   0.00:                   89.953 90.009119.980
  946  301-0.0568( 0.07 0.03-0.04) -2305.35  -88.15  0.00 -2387.85 2.66561 53:31
  947  300-0.0504( 0.07 0.03-0.02) -2305.33  -88.17  0.00 -2387.87 2.66630 53:31
  948  299-0.0438( 0.07 0.02 0.01) -2305.32  -88.17  0.00 -2387.88 2.66693 53:31
  949  298-0.0375( 0.07 0.02 0.03) -2305.30  -88.17  0.00 -2387.88 2.66750 53:31
  950  297-0.0313( 0.07 0.02 0.05) -2305.27  -88.16  0.00 -2387.86 2.66797 53:31
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.515 24.511 21.553
       0.00:   0.00:   0.00:                   89.951 90.004119.963
  951  296-0.0301( 0.07 0.02 0.06) -2305.23  -88.16  0.00 -2387.84 2.66842 53:31
  952  296-0.0263( 0.07 0.02 0.07) -2305.20  -88.16  0.00 -2387.81 2.66886 53:31
  953  296-0.0205( 0.07 0.02 0.08) -2305.18  -88.15  0.00 -2387.78 2.66927 53:31
  954  297-0.0164( 0.07 0.03 0.08) -2305.17  -88.15  0.00 -2387.75 2.66962 53:31
  955  297-0.0145( 0.07 0.04 0.08) -2305.15  -88.15  0.00 -2387.73 2.66996 53:32
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.510 24.496 21.550
       0.00:   0.00:   0.00:                   89.961 89.997119.944
  956  298-0.0109( 0.07 0.05 0.09) -2305.14  -88.16  0.00 -2387.71 2.67028 53:32
  957  299-0.0070( 0.07 0.06 0.08) -2305.13  -88.16  0.00 -2387.70 2.67058 53:32
  958  299 0.0005( 0.07 0.08 0.09) -2305.14  -88.15  0.00 -2387.69 2.67080 53:32
  959  299 0.0051( 0.07 0.09 0.08) -2305.14  -88.14  0.00 -2387.68 2.67098 53:32
  960  298 0.0134( 0.08 0.11 0.08) -2305.15  -88.12  0.00 -2387.68 2.67106 53:32
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.507 24.492 21.548
       0.00:   0.00:   0.00:                   89.973 89.995119.948
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  961  297 0.0190( 0.08 0.13 0.08) -2305.14  -88.10  0.00 -2387.66 2.67106 53:32
  962  297 0.0260( 0.09 0.14 0.08) -2305.14  -88.07  0.00 -2387.64 2.67099 53:32
  963  296 0.0334( 0.09 0.16 0.08) -2305.13  -88.03  0.00 -2387.62 2.67086 53:32
  964  296 0.0421( 0.09 0.18 0.09) -2305.13  -87.99  0.00 -2387.59 2.67066 53:32
  965  296 0.0521( 0.10 0.20 0.09) -2305.14  -87.95  0.00 -2387.55 2.67040 53:32
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.510 24.502 21.547
       0.00:   0.00:   0.00:                   89.980 89.997119.970
  966  296 0.0636( 0.11 0.22 0.10) -2305.16  -87.90  0.00 -2387.51 2.67006 53:32
  967  296 0.0741( 0.11 0.23 0.11) -2305.18  -87.85  0.00 -2387.48 2.66963 53:32
  968  297 0.0830( 0.12 0.24 0.12) -2305.21  -87.80  0.00 -2387.45 2.66913 53:32
  969  297 0.0911( 0.13 0.24 0.13) -2305.24  -87.75  0.00 -2387.42 2.66855 53:32
  970  298 0.0987( 0.14 0.24 0.15) -2305.28  -87.70  0.00 -2387.40 2.66790 53:33
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.518 24.518 21.551
       0.00:   0.00:   0.00:                   89.983 90.000119.991
  971  298 0.1058( 0.16 0.24 0.16) -2305.32  -87.65  0.00 -2387.38 2.66718 53:33
  972  299 0.1122( 0.17 0.23 0.17) -2305.38  -87.60  0.00 -2387.37 2.66640 53:33
  973  299 0.1179( 0.19 0.22 0.19) -2305.43  -87.54  0.00 -2387.37 2.66557 53:33
  974  300 0.1225( 0.20 0.20 0.20) -2305.49  -87.49  0.00 -2387.36 2.66470 53:33
  975  300 0.1257( 0.22 0.19 0.21) -2305.55  -87.44  0.00 -2387.37 2.66379 53:33
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.531 24.533 21.561
       0.00:   0.00:   0.00:                   89.985 90.003119.997
  976  301 0.1274( 0.23 0.17 0.21) -2305.61  -87.40  0.00 -2387.37 2.66285 53:33
  977  301 0.1273( 0.25 0.16 0.22) -2305.67  -87.36  0.00 -2387.38 2.66190 53:33
  978  302 0.1256( 0.26 0.14 0.22) -2305.73  -87.34  0.00 -2387.40 2.66090 53:33
  979  303 0.1184( 0.26 0.13 0.21) -2305.77  -87.33  0.00 -2387.42 2.65989 53:33
  980  304 0.1091( 0.25 0.12 0.20) -2305.81  -87.34  0.00 -2387.46 2.65880 53:33
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.549 24.541 21.575
       0.00:   0.00:   0.00:                   89.987 90.006119.983
 ==  Quartz                                                      (END=    1000)
 +   00K --------------------------------------------------------------- HOUR=10
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  981  304 0.0909( 0.23 0.10 0.18) -2305.82  -87.38  0.00 -2387.50 2.65774 53:33
  982  305 0.0730( 0.21 0.10 0.15) -2305.84  -87.42  0.00 -2387.54 2.65673 53:33
  983  305 0.0590( 0.18 0.10 0.14) -2305.87  -87.45  0.00 -2387.59 2.65585 53:33
  984  305 0.0565( 0.17 0.11 0.13) -2305.93  -87.43  0.00 -2387.65 2.65496 53:33
  985  305 0.0535( 0.15 0.12 0.13) -2305.99  -87.42  0.00 -2387.70 2.65407 53:34
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.568 24.548 21.587
       0.00:   0.00:   0.00:                   89.987 90.007119.963
  986  304 0.0524( 0.14 0.13 0.13) -2306.06  -87.39  0.00 -2387.75 2.65316 53:34
  987  303 0.0518( 0.13 0.14 0.13) -2306.12  -87.35  0.00 -2387.79 2.65233 53:34
  988  302 0.0593( 0.13 0.15 0.14) -2306.20  -87.27  0.00 -2387.82 2.65152 53:34
  989  300 0.0710( 0.14 0.16 0.15) -2306.29  -87.18  0.00 -2387.84 2.65071 53:34
  990  299 0.0826( 0.14 0.17 0.17) -2306.37  -87.08  0.00 -2387.84 2.64990 53:34
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.581 24.561 21.598
       0.00:   0.00:   0.00:                   89.988 90.004119.965
  991  298 0.0942( 0.15 0.19 0.18) -2306.44  -86.98  0.00 -2387.84 2.64912 53:34
  992  298 0.1053( 0.16 0.20 0.20) -2306.51  -86.89  0.00 -2387.82 2.64833 53:34
  993  297 0.1120( 0.17 0.20 0.21) -2306.56  -86.81  0.00 -2387.80 2.64749 53:34
  994  298 0.1095( 0.16 0.20 0.21) -2306.58  -86.77  0.00 -2387.78 2.64663 53:34
  995  298 0.0990( 0.15 0.19 0.20) -2306.58  -86.77  0.00 -2387.76 2.64573 53:34
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.592 24.575 21.611
       0.00:   0.00:   0.00:                   89.989 90.003119.973
  996  299 0.0786( 0.13 0.17 0.18) -2306.54  -86.81  0.00 -2387.75 2.64491 53:34
  997  300 0.0580( 0.11 0.15 0.16) -2306.50  -86.86  0.00 -2387.74 2.64420 53:34
  998  300 0.0412( 0.09 0.13 0.15) -2306.47  -86.90  0.00 -2387.74 2.64360 53:34
  999  301 0.0285( 0.08 0.11 0.13) -2306.45  -86.94  0.00 -2387.75 2.64315 53:34
 1000  301 0.0233( 0.07 0.11 0.13) -2306.46  -86.95  0.00 -2387.76 2.64273 53:35
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.596 24.587 21.625
       0.00:   0.00:   0.00:                   89.984 90.008119.985
 -------------------------------------------------------------------------------
 Avr   300 0.0210( 0.10 0.09 0.11) -2305.72  -87.57  0.00 -2387.68 2.65842
 Std     2 0.0628( 0.07 0.08 0.08)     0.44    0.40  0.00     0.14 0.00801
 -------------------------------------------------------------------------------
 Temperatures: O : 299 Si: 301
 -------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  ============
 <<<=====   Quartz                                                       ====>>>
    =========================================================================
     ===== Started at 10:52:32 on 12/ 4, finished at 10:53:35 on 12/ 4 =====
    =========================================================================
