 Number of CPU's =          10
 Welcome to MOLECULAR DYNAMICS SIMULATION WORLD: MXD-TRICLVersion 2021-01-15-
      ============== Titles in FILE07.DAT and FILE05.DAT are ==============
  =====[F7]: Low-Quartz (SiO2)  Wright & Lehmann (1981)  J.S.S.C 36, P371 ===== 
  =====[F5]:  Quartz Vashishta potential                                  ===== 
 Option[ 1:MD......  2:START     3:ECONOMY   4:NOACCUM   5:T SCALIN  6:P SCALIN]
       [ 7:          8:VASHISHT  9:         10:         11:         12:        ]
       [13:         14:         15:         16:         17:AMORPHOU 18:        ]
       [19:         20:         21:         22:         23:         24:        ]
       [25:         26:         27:         28:         29:         30:        ]
 Started at 13:38:54 on 2025/11/19   from      1-st step, until     1000-th step
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
    1   12-4.1301(-3.48-3.48-5.42)     0.00-1326.32  0.24 -1325.84 2.73252 38:54
    2  129 5.3387( 5.65 5.66 4.70)     0.00-1326.24  0.24 -1323.58 2.64538 38:54
    3  181-4.2307(-3.80-3.77-5.12)     0.00-1326.24  0.24 -1322.61 2.71988 38:54
    4  221 4.0382( 4.15 4.20 3.77)     0.00-1326.25  0.26 -1321.85 2.65299 38:54
    5  236-3.1403(-2.91-2.87-3.64)     0.00-1325.98  0.27 -1321.28 2.70477 38:54
 Msd:  0.00:O  0.00:S  0.00:   0.00:   0.00:   24.440 24.444 21.392 109.5: 1800
       0.00:   0.00:   0.00:                   90.002 90.004120.004
    6  242 2.6565( 2.63 2.68 2.65)     0.00-1325.72  0.30 -1320.89 2.66456 38:54
    7  241-1.5902(-1.51-1.47-1.79)     0.00-1325.31  0.34 -1320.46 2.68701 38:54
    8  241 0.9850( 0.96 1.00 1.00)     0.00-1324.93  0.39 -1320.03 2.67498 38:54
    9  243-0.2477(-0.24-0.20-0.31)     0.00-1324.55  0.44 -1319.55 2.67776 38:54
   10  250 0.0798( 0.08 0.12 0.03)     0.00-1324.26  0.49 -1319.08 2.67712 38:54
 Msd:  0.00:O  0.00:S  0.00:   0.00:   0.00:   24.527 24.539 21.454 109.5: 1800
       0.00:   0.00:   0.00:                   90.007 90.013120.011
   11  259-0.0374(-0.01 0.02-0.12)     0.00-1324.06  0.55 -1318.66 2.67753 38:54
   12  269-0.1046(-0.06-0.02-0.24)     0.00-1323.95  0.60 -1318.31 2.67844 38:54
   13  277-0.1689(-0.09-0.06-0.36)     0.00-1323.89  0.65 -1318.05 2.67984 38:54
   14  282-0.2078(-0.09-0.08-0.45)     0.00-1323.84  0.69 -1317.86 2.68153 38:54
   15  284-0.2248(-0.07-0.08-0.53)     0.00-1323.76  0.73 -1317.71 2.68343 38:54
 Msd:  0.01:O  0.00:S  0.00:   0.00:   0.00:   24.518 24.535 21.415 109.4: 1800
       0.00:   0.00:   0.00:                   90.008 90.022120.010
   16  283-0.2182(-0.03-0.06-0.57)     0.00-1323.64  0.75 -1317.58 2.68534 38:54
   17  281-0.2082( 0.01-0.05-0.59)     0.00-1323.47  0.77 -1317.44 2.68706 38:54
   18  279-0.2281( 0.02-0.06-0.65)     0.00-1323.29  0.78 -1317.27 2.68885 38:54
   19  279-0.2648( 0.01-0.10-0.71)     0.00-1323.12  0.79 -1317.10 2.69093 38:54
   20  282-0.3115(-0.02-0.15-0.77)     0.00-1323.00  0.79 -1316.92 2.69339 38:55
 Msd:  0.01:O  0.01:S  0.00:   0.00:   0.00:   24.515 24.527 21.342 109.4: 1800
       0.00:   0.00:   0.00:                   90.004 90.031119.994
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
   21  288-0.3738(-0.07-0.22-0.83)     0.00-1322.95  0.78 -1316.78 2.69638 38:55
   22  295-0.4466(-0.15-0.31-0.88)     0.00-1323.00  0.78 -1316.69 2.69996 38:55
   23  303-0.5205(-0.24-0.40-0.91)     0.00-1323.12  0.78 -1316.67 2.70418 38:55
   24  309-0.5853(-0.34-0.50-0.92)     0.00-1323.30  0.78 -1316.73 2.70895 38:55
   25  314-0.6311(-0.42-0.57-0.90)     0.00-1323.51  0.78 -1316.85 2.71412 38:55
 Msd:  0.01:O  0.01:S  0.00:   0.00:   0.00:   24.480 24.479 21.247 109.4: 1800
       0.00:   0.00:   0.00:                   90.002 90.036119.976
   26  315-0.6538(-0.49-0.63-0.84)     0.00-1323.70  0.79 -1317.01 2.71953 38:55
   27  313-0.6541(-0.55-0.67-0.74)     0.00-1323.84  0.80 -1317.18 2.72497 38:55
   28  308-0.6371(-0.60-0.69-0.63)     0.00-1323.90  0.81 -1317.32 2.73032 38:55
   29  301-0.6108(-0.63-0.70-0.50)     0.00-1323.88  0.82 -1317.42 2.73551 38:55
   30  294-0.5851(-0.67-0.71-0.38)     0.00-1323.78  0.83 -1317.45 2.74052 38:55
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.404 24.393 21.181 109.4: 1800
       0.00:   0.00:   0.00:                   90.003 90.037119.973
   31  287-0.5679(-0.71-0.73-0.27)     0.00-1323.62  0.83 -1317.41 2.74544 38:55
   32  282-0.5662(-0.76-0.76-0.18)     0.00-1323.44  0.84 -1317.31 2.75038 38:55
   33  281-0.5833(-0.83-0.80-0.12)     0.00-1323.27  0.85 -1317.17 2.75551 38:55
   34  282-0.6189(-0.90-0.86-0.09)     0.00-1323.15  0.85 -1317.02 2.76096 38:55
   35  286-0.6691(-0.99-0.93-0.09)     0.00-1323.11  0.86 -1316.89 2.76684 38:55
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.301 24.289 21.163 109.4: 1800
       0.00:   0.00:   0.00:                   90.011 90.038119.989
   36  293-0.7259(-1.07-1.00-0.10)     0.00-1323.15  0.87 -1316.80 2.77321 38:55
   37  300-0.7784(-1.14-1.07-0.13)     0.00-1323.28  0.88 -1316.78 2.78003 38:55
   38  306-0.8151(-1.18-1.12-0.15)     0.00-1323.46  0.89 -1316.83 2.78715 38:55
   39  310-0.8275(-1.19-1.14-0.15)     0.00-1323.67  0.91 -1316.94 2.79437 38:55
   40  311-0.8105(-1.16-1.13-0.14)     0.00-1323.86  0.94 -1317.09 2.80256 38:55
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.158 24.146 21.145 109.4: 1800
       0.00:   0.00:   0.00:                   90.023 90.038120.007
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
   41  308-0.6437(-0.96-0.96-0.02)     0.00-1323.98  0.97 -1317.25 2.81016 38:55
   42  302-0.4834(-0.75-0.77 0.07)     0.00-1324.02  1.00 -1317.36 2.81623 38:55
   43  294-0.4229(-0.64-0.68 0.05)     0.00-1323.95  1.04 -1317.40 2.82240 38:55
   44  285-0.2807(-0.45-0.51 0.12)     0.00-1323.79  1.08 -1317.36 2.82679 38:55
   45  277-0.2767(-0.41-0.48 0.07)     0.00-1323.55  1.12 -1317.24 2.83178 38:55
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.035 24.012 21.152 109.4: 1800
       0.00:   0.00:   0.00:                   90.038 90.034120.010
   46  271-0.1582(-0.28-0.34 0.14)     0.00-1323.29  1.16 -1317.05 2.83489 38:55
   47  268-0.2239(-0.33-0.39 0.04)     0.00-1323.02  1.20 -1316.80 2.83892 38:55
   48  268-0.1687(-0.28-0.34 0.11)     0.00-1322.79  1.24 -1316.53 2.84215 38:55
   49  272-0.2082(-0.32-0.38 0.08)     0.00-1322.63  1.27 -1316.26 2.84589 38:55
   50  278-0.1981(-0.33-0.37 0.11)     0.00-1322.55  1.31 -1316.03 2.84928 38:55
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   23.958 23.920 21.171 109.4: 1800
       0.00:   0.00:   0.00:                   90.047 90.029120.007
   51  286-0.2359(-0.38-0.42 0.09)     0.00-1322.55  1.34 -1315.85 2.85311 38:55
   52  294-0.2253(-0.39-0.41 0.12)     0.00-1322.62  1.36 -1315.75 2.85661 38:55
   53  300-0.2377(-0.41-0.43 0.12)     0.00-1322.72  1.39 -1315.71 2.86015 38:55
   54  304-0.2159(-0.40-0.40 0.15)     0.00-1322.83  1.41 -1315.74 2.86357 38:55
   55  305-0.1622(-0.34-0.33 0.18)     0.00-1322.93  1.42 -1315.79 2.86637 38:55
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   23.877 23.833 21.195 109.4: 1800
       0.00:   0.00:   0.00:                   90.052 90.024120.019
   56  303-0.1230(-0.29-0.26 0.18)     0.00-1322.98  1.44 -1315.85 2.86894 38:55
   57  300-0.0484(-0.18-0.16 0.20)     0.00-1322.98  1.46 -1315.89 2.87026 38:55
   58  297-0.0531(-0.16-0.13 0.14)     0.00-1322.93  1.47 -1315.90 2.87189 38:55
   59  293 0.0367(-0.05-0.02 0.18)     0.00-1322.85  1.49 -1315.88 2.87152 38:55
   60  290-0.0514(-0.12-0.10 0.06)     0.00-1322.75  1.50 -1315.81 2.87304 38:55
 Msd:  0.04:O  0.03:S  0.00:   0.00:   0.00:   23.834 23.786 21.230 109.4: 1800
       0.00:   0.00:   0.00:                   90.071 90.011120.042
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
   61  288 0.1219( 0.06 0.07 0.24)     0.00-1322.64  1.52 -1315.73 2.87105 38:55
   62  288-0.0777(-0.13-0.12 0.02)     0.00-1322.54  1.53 -1315.62 2.87266 38:55
   63  288 0.1671( 0.11 0.11 0.28)     0.00-1322.46  1.54 -1315.51 2.87021 38:55
   64  290-0.0352(-0.08-0.09 0.06)     0.00-1322.39  1.55 -1315.41 2.87079 38:55
   65  291 0.1358( 0.09 0.08 0.24)     0.00-1322.34  1.56 -1315.32 2.86906 38:55
 Msd:  0.04:O  0.03:S  0.00:   0.00:   0.00:   23.836 23.784 21.260 109.4: 1800
       0.00:   0.00:   0.00:                   90.092 89.994120.037
   66  293 0.0624( 0.03 0.01 0.14)     0.00-1322.29  1.56 -1315.25 2.86808 38:55
   67  294 0.0998( 0.09 0.06 0.15)     0.00-1322.26  1.56 -1315.18 2.86672 38:55
   68  295 0.1199( 0.13 0.10 0.13)     0.00-1322.22  1.56 -1315.13 2.86514 38:55
   69  295 0.1437( 0.18 0.14 0.12)     0.00-1322.17  1.56 -1315.09 2.86335 38:55
   70  295 0.1705( 0.23 0.19 0.09)     0.00-1322.12  1.55 -1315.05 2.86133 38:55
 Msd:  0.04:O  0.03:S  0.00:   0.00:   0.00:   23.857 23.800 21.280 109.4: 1800
       0.00:   0.00:   0.00:                   90.102 89.979120.019
   71  295 0.1988( 0.29 0.24 0.07)     0.00-1322.06  1.53 -1315.00 2.85910 38:55
   72  294 0.2271( 0.35 0.29 0.04)     0.00-1321.99  1.52 -1314.95 2.85671 38:55
   73  294 0.2528( 0.41 0.34 0.00)     0.00-1321.92  1.50 -1314.91 2.85418 38:55
   74  295 0.2739( 0.47 0.39-0.03)     0.00-1321.86  1.48 -1314.86 2.85171 38:55
   75  296 0.3020( 0.53 0.44-0.06)     0.00-1321.82  1.46 -1314.82 2.84899 38:55
 Msd:  0.04:O  0.03:S  0.00:   0.00:   0.00:   23.909 23.845 21.283 109.4: 1800
       0.00:   0.00:   0.00:                   90.097 89.975120.007
   76  298 0.2948( 0.55 0.45-0.12)     0.00-1321.81  1.43 -1314.79 2.84632 38:55
   77  301 0.2793( 0.55 0.45-0.17)     0.00-1321.83  1.41 -1314.78 2.84377 38:55
   78  304 0.2588( 0.54 0.44-0.21)     0.00-1321.88  1.38 -1314.80 2.84127 38:55
   79  307 0.2233( 0.50 0.41-0.25)     0.00-1321.95  1.36 -1314.85 2.83894 38:55
   80  309 0.1911( 0.45 0.39-0.27)     0.00-1322.05  1.34 -1314.92 2.83681 38:55
 Msd:  0.04:O  0.03:S  0.00:   0.00:   0.00:   23.974 23.902 21.264 109.4: 1800
       0.00:   0.00:   0.00:                   90.078 89.980120.001
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
   81  311 0.1657( 0.40 0.36-0.27)     0.00-1322.15  1.31 -1315.02 2.83482 38:55
   82  311 0.1478( 0.35 0.34-0.25)     0.00-1322.25  1.29 -1315.13 2.83272 38:55
   83  311 0.1147( 0.28 0.30-0.24)     0.00-1322.35  1.27 -1315.24 2.83077 38:55
   84  311 0.0970( 0.22 0.26-0.20)     0.00-1322.43  1.24 -1315.36 2.82880 38:55
   85  310 0.0800( 0.17 0.22-0.16)     0.00-1322.50  1.22 -1315.47 2.82688 38:55
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.032 23.965 21.235 109.4: 1800
       0.00:   0.00:   0.00:                   90.042 89.989120.017
   86  309 0.0675( 0.13 0.19-0.12)     0.00-1322.56  1.19 -1315.57 2.82496 38:55
   87  309 0.0530( 0.10 0.15-0.09)     0.00-1322.61  1.16 -1315.66 2.82314 38:55
   88  309 0.0433( 0.07 0.12-0.06)     0.00-1322.68  1.13 -1315.75 2.82134 38:55
   89  310 0.0262( 0.05 0.09-0.05)     0.00-1322.75  1.10 -1315.84 2.81984 38:55
   90  311 0.0309( 0.04 0.08-0.02)     0.00-1322.85  1.07 -1315.94 2.81793 38:55
 Msd:  0.04:O  0.02:S  0.00:   0.00:   0.00:   24.069 24.024 21.219 109.4: 1800
       0.00:   0.00:   0.00:                   90.007 90.003120.028
   91  313-0.0275(-0.02 0.01-0.07)     0.00-1322.95  1.04 -1316.05 2.81825 38:55
   92  314 0.1531( 0.14 0.18 0.13)     0.00-1323.09  1.01 -1316.18 2.81282 38:55
   93  316-0.3413(-0.34-0.28-0.41)     0.00-1323.22  0.99 -1316.32 2.82154 38:55
   94  316 0.7885( 0.74 0.80 0.83)     0.00-1323.37  0.96 -1316.48 2.80283 38:55
   95  316-1.2423(-1.21-1.13-1.39)     0.00-1323.46  0.94 -1316.60 2.82692 38:55
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.040 24.021 21.177 109.4: 1800
       0.00:   0.00:   0.00:                   90.000 90.009120.010
   96  315 1.6648( 1.56 1.65 1.79)     0.00-1323.61  0.92 -1316.78 2.79852 38:55
   97  314-1.4829(-1.44-1.35-1.66)     0.00-1323.67  0.90 -1316.90 2.82012 38:55
   98  311 1.1462( 1.06 1.16 1.22)     0.00-1323.79  0.89 -1317.07 2.80500 38:55
   99  308-0.4398(-0.44-0.35-0.53)     0.00-1323.83  0.87 -1317.18 2.80972 38:55
  100  305 0.2905( 0.27 0.34 0.26)     0.00-1323.85  0.86 -1317.27 2.80668 38:55
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.091 24.091 21.221 109.4: 1800
       0.00:   0.00:   0.00:                   89.999 90.013120.004
 --------------------------------------------------------------------------------
 Avr   287-0.1451(-0.13-0.14-0.17)     0.00-1323.25  1.04 -1316.84 2.79088
 Std    39 1.0865( 1.09 1.09 1.16)     0.00    1.02  0.37     1.91 0.06949
 --------------------------------------------------------------------------------
 Temperatures: O : 284 Si: 292
 --------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  =============
 <<<=====   Quartz Vashishta potential                                   ====>>>
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  101  302 0.1490( 0.15 0.21 0.09)     0.00-1323.83  0.85 -1317.32 2.80477 38:55
  102  300 0.1590( 0.17 0.21 0.09)     0.00-1323.79  0.84 -1317.34 2.80304 38:55
  103  298 0.2067( 0.24 0.26 0.13)     0.00-1323.75  0.83 -1317.33 2.80116 38:55
  104  297 0.2517( 0.30 0.30 0.15)     0.00-1323.70  0.82 -1317.32 2.79891 38:55
  105  297 0.2672( 0.33 0.32 0.14)     0.00-1323.66  0.81 -1317.29 2.79656 38:55
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.123 24.129 21.235 109.4: 1800
       0.00:   0.00:   0.00:                   89.995 90.016119.998
  106  298 0.2804( 0.36 0.34 0.14)     0.00-1323.64  0.80 -1317.26 2.79411 38:55
  107  299 0.2925( 0.38 0.36 0.13)     0.00-1323.63  0.78 -1317.25 2.79158 38:55
  108  301 0.3049( 0.40 0.38 0.13)     0.00-1323.65  0.77 -1317.24 2.78897 38:55
  109  302 0.3186( 0.41 0.41 0.14)     0.00-1323.68  0.75 -1317.26 2.78626 38:55
  110  304 0.3345( 0.42 0.43 0.16)     0.00-1323.72  0.74 -1317.29 2.78342 38:55
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.170 24.176 21.251 109.4: 1800
       0.00:   0.00:   0.00:                   89.989 90.018119.998
  111  305 0.3534( 0.43 0.46 0.18)     0.00-1323.76  0.72 -1317.33 2.78043 38:55
  112  305 0.3753( 0.44 0.48 0.20)     0.00-1323.80  0.71 -1317.38 2.77726 38:55
  113  304 0.3990( 0.45 0.51 0.23)     0.00-1323.83  0.70 -1317.43 2.77389 38:55
  114  303 0.4234( 0.47 0.54 0.26)     0.00-1323.84  0.68 -1317.48 2.77032 38:55
  115  301 0.4464( 0.49 0.56 0.29)     0.00-1323.83  0.67 -1317.51 2.76655 38:55
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.227 24.239 21.277 109.4: 1800
       0.00:   0.00:   0.00:                   89.983 90.022120.006
  116  300 0.4668( 0.51 0.59 0.30)     0.00-1323.81  0.67 -1317.53 2.76261 38:55
  117  298 0.4832( 0.53 0.60 0.32)     0.00-1323.77  0.66 -1317.53 2.75854 38:55
  118  297 0.4955( 0.55 0.62 0.32)     0.00-1323.74  0.66 -1317.52 2.75438 38:55
  119  297 0.5037( 0.56 0.63 0.32)     0.00-1323.71  0.65 -1317.49 2.75016 38:55
  120  297 0.5079( 0.57 0.64 0.31)     0.00-1323.69  0.65 -1317.47 2.74591 38:55
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.295 24.317 21.311 109.4: 1800
       0.00:   0.00:   0.00:                   89.976 90.030120.014
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  121  298 0.5096( 0.58 0.65 0.30)     0.00-1323.69  0.65 -1317.45 2.74168 38:56
  122  299 0.5085( 0.58 0.65 0.29)     0.00-1323.70  0.65 -1317.44 2.73748 38:56
  123  301 0.5068( 0.59 0.65 0.28)     0.00-1323.74  0.66 -1317.44 2.73310 38:56
  124  302 0.4824( 0.57 0.62 0.26)     0.00-1323.78  0.66 -1317.46 2.72831 38:56
  125  303 0.4091( 0.50 0.54 0.19)     0.00-1323.83  0.67 -1317.49 2.72363 38:56
 Msd:  0.01:O  0.01:S  0.00:   0.00:   0.00:   24.373 24.403 21.341 109.4: 1800
       0.00:   0.00:   0.00:                   89.973 90.036120.020
  126  303 0.3499( 0.45 0.46 0.14)     0.00-1323.87  0.67 -1317.52 2.71902 38:56
  127  302 0.3015( 0.40 0.39 0.12)     0.00-1323.89  0.68 -1317.55 2.71446 38:56
  128  300 0.2595( 0.36 0.32 0.10)     0.00-1323.88  0.69 -1317.57 2.70994 38:56
  129  297 0.2228( 0.32 0.26 0.09)     0.00-1323.84  0.69 -1317.57 2.70547 38:56
  130  295 0.1878( 0.27 0.21 0.08)     0.00-1323.78  0.70 -1317.55 2.70113 38:56
 Msd:  0.01:O  0.01:S  0.00:   0.00:   0.00:   24.464 24.487 21.364 109.4: 1800
       0.00:   0.00:   0.00:                   89.977 90.036120.011
  131  292 0.1565( 0.23 0.17 0.06)     0.00-1323.69  0.72 -1317.50 2.69693 38:56
  132  291 0.1253( 0.19 0.14 0.05)     0.00-1323.61  0.73 -1317.43 2.69302 38:56
  133  290 0.1013( 0.15 0.11 0.04)     0.00-1323.53  0.74 -1317.34 2.68929 38:56
  134  291 0.0678( 0.11 0.08 0.02)     0.00-1323.47  0.76 -1317.26 2.68644 38:56
  135  292 0.0964( 0.12 0.11 0.06)     0.00-1323.43  0.78 -1317.17 2.68288 38:56
 Msd:  0.01:O  0.01:S  0.00:   0.00:   0.00:   24.543 24.544 21.386 109.4: 1800
       0.00:   0.00:   0.00:                   89.987 90.013119.990
  136  294 0.0109( 0.04 0.02-0.04)     0.00-1323.42  0.80 -1317.11 2.68217 38:56
  137  295 0.2102( 0.22 0.22 0.19)     0.00-1323.42  0.83 -1317.05 2.67521 38:56
  138  296-0.3174(-0.29-0.29-0.37)     0.00-1323.40  0.85 -1317.01 2.68342 38:56
  139  295 0.8293( 0.82 0.82 0.84)     0.00-1323.39  0.88 -1316.98 2.66396 38:56
  140  294-1.1296(-1.10-1.09-1.20)     0.00-1323.30  0.89 -1316.90 2.68585 38:56
 Msd:  0.01:O  0.01:S  0.00:   0.00:   0.00:   24.541 24.537 21.366 109.4: 1800
       0.00:   0.00:   0.00:                   89.990 89.980119.974
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  141  291 1.5102( 1.47 1.49 1.57)     0.00-1323.24  0.93 -1316.86 2.65998 38:56
  142  288-1.2090(-1.19-1.17-1.27)     0.00-1323.09  0.94 -1316.76 2.67752 38:56
  143  285 0.8940( 0.85 0.89 0.94)     0.00-1323.00  0.97 -1316.68 2.66554 38:56
  144  283-0.3191(-0.35-0.29-0.32)     0.00-1322.84  0.98 -1316.55 2.66876 38:56
  145  283 0.1343( 0.09 0.15 0.16)     0.00-1322.71  1.00 -1316.41 2.66710 38:56
 Msd:  0.01:O  0.01:S  0.00:   0.00:   0.00:   24.593 24.595 21.418 109.4: 1800
       0.00:   0.00:   0.00:                   89.987 89.963119.964
  146  284 0.0063(-0.05 0.03 0.04)     0.00-1322.60  1.02 -1316.25 2.66665 38:56
  147  287-0.0318(-0.10-0.00 0.01)     0.00-1322.52  1.03 -1316.11 2.66659 38:56
  148  291-0.0728(-0.15-0.05-0.02)     0.00-1322.49  1.04 -1316.00 2.66688 38:56
  149  295-0.1174(-0.20-0.09-0.06)     0.00-1322.50  1.05 -1315.93 2.66752 38:56
  150  298-0.1599(-0.25-0.14-0.09)     0.00-1322.53  1.05 -1315.89 2.66851 38:56
 Msd:  0.01:O  0.01:S  0.00:   0.00:   0.00:   24.580 24.595 21.418 109.4: 1800
       0.00:   0.00:   0.00:                   89.982 89.956119.962
  151  301-0.1910(-0.29-0.17-0.11)     0.00-1322.58  1.06 -1315.89 2.66977 38:56
  152  302-0.2109(-0.31-0.20-0.12)     0.00-1322.62  1.06 -1315.90 2.67123 38:56
  153  302-0.2212(-0.32-0.22-0.12)     0.00-1322.63  1.05 -1315.93 2.67279 38:56
  154  300-0.2248(-0.33-0.24-0.11)     0.00-1322.62  1.04 -1315.95 2.67442 38:56
  155  298-0.2266(-0.33-0.25-0.10)     0.00-1322.59  1.04 -1315.96 2.67618 38:56
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.545 24.572 21.408 109.4: 1800
       0.00:   0.00:   0.00:                   89.975 89.956119.966
  156  297-0.2210(-0.32-0.26-0.09)     0.00-1322.54  1.02 -1315.95 2.67801 38:56
  157  296-0.2191(-0.31-0.26-0.09)     0.00-1322.48  1.01 -1315.93 2.67996 38:56
  158  296-0.2227(-0.30-0.27-0.10)     0.00-1322.44  0.99 -1315.90 2.68187 38:56
  159  298-0.2521(-0.32-0.30-0.13)     0.00-1322.43  0.97 -1315.87 2.68387 38:56
  160  300-0.2970(-0.35-0.35-0.19)     0.00-1322.44  0.96 -1315.86 2.68626 38:56
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.504 24.536 21.396 109.4: 1800
       0.00:   0.00:   0.00:                   89.966 89.963119.972
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  161  303-0.3223(-0.37-0.37-0.23)     0.00-1322.50  0.94 -1315.88 2.68886 38:56
  162  306-0.3408(-0.37-0.39-0.26)     0.00-1322.57  0.92 -1315.92 2.69163 38:56
  163  307-0.3507(-0.36-0.40-0.29)     0.00-1322.66  0.91 -1315.99 2.69449 38:56
  164  308-0.3506(-0.35-0.39-0.31)     0.00-1322.75  0.90 -1316.08 2.69750 38:56
  165  307-0.3246(-0.31-0.36-0.30)     0.00-1322.81  0.89 -1316.17 2.70074 38:56
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.458 24.487 21.366 109.4: 1800
       0.00:   0.00:   0.00:                   89.957 89.970119.978
  166  305-0.2570(-0.23-0.29-0.25)     0.00-1322.83  0.88 -1316.24 2.70371 38:56
  167  301-0.1976(-0.16-0.23-0.20)     0.00-1322.82  0.88 -1316.29 2.70636 38:56
  168  298-0.1535(-0.12-0.18-0.16)     0.00-1322.76  0.88 -1316.31 2.70873 38:56
  169  294-0.1224(-0.09-0.14-0.13)     0.00-1322.68  0.88 -1316.29 2.71090 38:56
  170  291-0.1020(-0.08-0.11-0.11)     0.00-1322.58  0.88 -1316.24 2.71295 38:56
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.426 24.444 21.335 109.4: 1800
       0.00:   0.00:   0.00:                   89.944 89.975119.980
  171  290-0.0892(-0.08-0.10-0.09)     0.00-1322.48  0.88 -1316.17 2.71498 38:56
  172  290-0.0820(-0.08-0.09-0.08)     0.00-1322.40  0.88 -1316.08 2.71688 38:56
  173  292-0.0970(-0.11-0.10-0.09)     0.00-1322.36  0.88 -1316.00 2.71881 38:56
  174  295-0.1189(-0.14-0.12-0.10)     0.00-1322.35  0.88 -1315.94 2.72088 38:56
  175  299-0.1371(-0.17-0.13-0.11)     0.00-1322.39  0.88 -1315.91 2.72297 38:56
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.393 24.412 21.312 109.4: 1800
       0.00:   0.00:   0.00:                   89.942 89.965119.979
  176  303-0.1612(-0.20-0.15-0.13)     0.00-1322.47  0.89 -1315.91 2.72511 38:56
  177  305-0.1790(-0.22-0.16-0.15)     0.00-1322.56  0.89 -1315.95 2.72721 38:56
  178  307-0.1965(-0.25-0.17-0.17)     0.00-1322.66  0.89 -1316.01 2.72922 38:56
  179  307-0.2088(-0.26-0.17-0.19)     0.00-1322.74  0.89 -1316.09 2.73109 38:56
  180  306-0.2182(-0.28-0.17-0.20)     0.00-1322.80  0.89 -1316.17 2.73298 38:56
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.359 24.386 21.288 109.4: 1800
       0.00:   0.00:   0.00:                   89.951 89.956119.982
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  181  305-0.2063(-0.27-0.15-0.20)     0.00-1322.84  0.89 -1316.24 2.73507 38:56
  182  303-0.1539(-0.22-0.09-0.16)     0.00-1322.85  0.90 -1316.29 2.73690 38:56
  183  301-0.1177(-0.17-0.05-0.13)     0.00-1322.85  0.90 -1316.32 2.73854 38:56
  184  300-0.0952(-0.14-0.04-0.11)     0.00-1322.84  0.90 -1316.33 2.74011 38:56
  185  299-0.0808(-0.11-0.03-0.10)     0.00-1322.84  0.90 -1316.33 2.74167 38:56
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.329 24.371 21.263 109.4: 1800
       0.00:   0.00:   0.00:                   89.962 89.952119.999
  186  299-0.0710(-0.09-0.04-0.09)     0.00-1322.85  0.91 -1316.33 2.74312 38:56
  187  300-0.0800(-0.09-0.05-0.09)     0.00-1322.87  0.91 -1316.33 2.74454 38:56
  188  301-0.1023(-0.11-0.08-0.11)     0.00-1322.91  0.92 -1316.34 2.74608 38:56
  189  302-0.1162(-0.12-0.10-0.12)     0.00-1322.94  0.93 -1316.36 2.74759 38:56
  190  302-0.1366(-0.14-0.13-0.14)     0.00-1322.98  0.94 -1316.39 2.74911 38:56
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.307 24.354 21.242 109.4: 1800
       0.00:   0.00:   0.00:                   89.964 89.953120.009
  191  301-0.1542(-0.15-0.16-0.15)     0.00-1323.00  0.95 -1316.41 2.75060 38:56
  192  300-0.1720(-0.17-0.19-0.16)     0.00-1323.00  0.96 -1316.43 2.75210 38:56
  193  298-0.1819(-0.18-0.22-0.15)     0.00-1322.98  0.97 -1316.43 2.75369 38:56
  194  296-0.1758(-0.17-0.23-0.13)     0.00-1322.94  0.97 -1316.42 2.75530 38:56
  195  295-0.1623(-0.16-0.23-0.10)     0.00-1322.89  0.98 -1316.39 2.75688 38:56
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.283 24.327 21.226 109.4: 1800
       0.00:   0.00:   0.00:                   89.963 89.959120.010
  196  293-0.1531(-0.16-0.23-0.07)     0.00-1322.82  0.98 -1316.35 2.75845 38:56
  197  293-0.1508(-0.16-0.24-0.05)     0.00-1322.77  0.98 -1316.29 2.75992 38:56
  198  294-0.1715(-0.19-0.27-0.05)     0.00-1322.73  0.98 -1316.24 2.76144 38:56
  199  296-0.2062(-0.24-0.32-0.06)     0.00-1322.71  0.97 -1316.19 2.76325 38:56
  200  299-0.2303(-0.27-0.36-0.06)     0.00-1322.74  0.97 -1316.17 2.76526 38:56
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.253 24.291 21.218 109.4: 1800
       0.00:   0.00:   0.00:                   89.963 89.967120.002
 --------------------------------------------------------------------------------
 Avr   298 0.0233( 0.03 0.05-0.00)     0.00-1323.10  0.86 -1316.65 2.72347
 Std     5 0.3611( 0.39 0.40 0.32)     0.00    0.51  0.12     0.61 0.04021
 --------------------------------------------------------------------------------
 Temperatures: O : 296 Si: 302
 --------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  =============
 <<<=====   Quartz Vashishta potential                                   ====>>>
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  201  302-0.2548(-0.31-0.40-0.05)     0.00-1322.79  0.96 -1316.17 2.76749 38:56
  202  305-0.2774(-0.35-0.44-0.05)     0.00-1322.88  0.96 -1316.20 2.76992 38:56
  203  307-0.2949(-0.38-0.47-0.04)     0.00-1322.98  0.95 -1316.27 2.77252 38:56
  204  309-0.3057(-0.41-0.49-0.02)     0.00-1323.08  0.95 -1316.35 2.77521 38:56
  205  308-0.3096(-0.43-0.50 0.00)     0.00-1323.17  0.95 -1316.45 2.77796 38:56
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.204 24.234 21.212 109.4: 1800
       0.00:   0.00:   0.00:                   89.968 89.972119.992
  206  307-0.3073(-0.44-0.51 0.03)     0.00-1323.25  0.94 -1316.54 2.78071 38:56
  207  305-0.3008(-0.45-0.50 0.06)     0.00-1323.29  0.94 -1316.62 2.78342 38:56
  208  303-0.2927(-0.46-0.50 0.08)     0.00-1323.31  0.95 -1316.69 2.78608 38:56
  209  301-0.2853(-0.46-0.49 0.10)     0.00-1323.31  0.95 -1316.73 2.78870 38:56
  210  299-0.2803(-0.47-0.48 0.11)     0.00-1323.30  0.95 -1316.74 2.79129 38:56
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.145 24.172 21.216 109.4: 1800
       0.00:   0.00:   0.00:                   89.975 89.979119.991
  211  298-0.2785(-0.47-0.47 0.11)     0.00-1323.28  0.96 -1316.74 2.79387 38:56
  212  297-0.2796(-0.47-0.47 0.10)     0.00-1323.27  0.97 -1316.73 2.79659 38:56
  213  297-0.2686(-0.45-0.45 0.10)     0.00-1323.26  0.98 -1316.72 2.79962 38:56
  214  297-0.2269(-0.40-0.39 0.11)     0.00-1323.26  0.99 -1316.71 2.80232 38:56
  215  298-0.2226(-0.38-0.38 0.09)     0.00-1323.27  1.00 -1316.69 2.80535 38:56
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.080 24.107 21.226 109.4: 1800
       0.00:   0.00:   0.00:                   89.980 89.987120.001
  216  298-0.1798(-0.32-0.32 0.10)     0.00-1323.28  1.01 -1316.69 2.80791 38:56
  217  298-0.1839(-0.31-0.31 0.06)     0.00-1323.28  1.02 -1316.68 2.81087 38:56
  218  298-0.1351(-0.24-0.25 0.08)     0.00-1323.28  1.03 -1316.67 2.81312 38:56
  219  297-0.1553(-0.25-0.26 0.04)     0.00-1323.28  1.04 -1316.66 2.81548 38:56
  220  297-0.1464(-0.24-0.25 0.05)     0.00-1323.26  1.06 -1316.65 2.81774 38:56
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.021 24.047 21.238 109.4: 1800
       0.00:   0.00:   0.00:                   89.979 89.991120.006
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  221  296-0.1339(-0.23-0.23 0.06)     0.00-1323.24  1.07 -1316.63 2.81984 38:56
  222  296-0.1249(-0.22-0.22 0.06)     0.00-1323.22  1.08 -1316.60 2.82181 38:56
  223  295-0.1126(-0.20-0.21 0.07)     0.00-1323.18  1.09 -1316.57 2.82360 38:56
  224  295-0.1038(-0.18-0.19 0.06)     0.00-1323.15  1.10 -1316.53 2.82545 38:56
  225  294-0.0728(-0.13-0.15 0.07)     0.00-1323.12  1.11 -1316.48 2.82668 38:56
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   23.971 23.997 21.256 109.4: 1800
       0.00:   0.00:   0.00:                   89.971 89.989119.992
  226  295-0.0962(-0.14-0.17 0.03)     0.00-1323.09  1.12 -1316.44 2.82838 38:57
  227  296-0.0517(-0.09-0.13 0.07)     0.00-1323.07  1.13 -1316.40 2.82920 38:57
  228  297-0.0971(-0.12-0.17 0.00)     0.00-1323.07  1.14 -1316.37 2.83101 38:57
  229  298-0.0157(-0.04-0.09 0.08)     0.00-1323.08  1.15 -1316.34 2.83113 38:57
  230  300-0.1146(-0.13-0.17-0.05)     0.00-1323.11  1.15 -1316.34 2.83323 38:57
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   23.938 23.958 21.264 109.4: 1800
       0.00:   0.00:   0.00:                   89.973 89.984119.959
  231  302 0.0321( 0.02-0.03 0.10)     0.00-1323.15  1.15 -1316.35 2.83255 38:57
  232  303-0.1202(-0.12-0.16-0.08)     0.00-1323.19  1.15 -1316.37 2.83445 38:57
  233  303 0.0513( 0.05 0.02 0.09)     0.00-1323.24  1.15 -1316.40 2.83375 38:57
  234  303-0.0483(-0.03-0.06-0.05)     0.00-1323.27  1.15 -1316.44 2.83436 38:57
  235  303 0.0361( 0.06 0.04 0.01)     0.00-1323.29  1.14 -1316.47 2.83403 38:57
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   23.934 23.949 21.266 109.4: 1800
       0.00:   0.00:   0.00:                   89.986 89.977119.939
  236  302 0.0443( 0.08 0.07-0.02)     0.00-1323.29  1.14 -1316.50 2.83368 38:57
  237  301 0.0813( 0.13 0.13-0.02)     0.00-1323.28  1.13 -1316.52 2.83304 38:57
  238  300 0.1124( 0.18 0.18-0.03)     0.00-1323.27  1.12 -1316.53 2.83214 38:57
  239  299 0.1369( 0.22 0.23-0.04)     0.00-1323.25  1.11 -1316.53 2.83103 38:57
  240  299 0.1564( 0.25 0.27-0.05)     0.00-1323.24  1.10 -1316.53 2.82976 38:57
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   23.955 23.968 21.261 109.4: 1800
       0.00:   0.00:   0.00:                   89.993 89.971119.938
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  241  300 0.1717( 0.28 0.31-0.07)     0.00-1323.23  1.09 -1316.52 2.82835 38:57
  242  301 0.1834( 0.30 0.34-0.08)     0.00-1323.24  1.08 -1316.53 2.82685 38:57
  243  302 0.1937( 0.32 0.36-0.10)     0.00-1323.27  1.07 -1316.54 2.82526 38:57
  244  303 0.2039( 0.34 0.38-0.10)     0.00-1323.30  1.06 -1316.56 2.82359 38:57
  245  303 0.2156( 0.36 0.39-0.11)     0.00-1323.33  1.05 -1316.59 2.82182 38:57
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   23.994 24.009 21.252 109.4: 1800
       0.00:   0.00:   0.00:                   89.994 89.967119.947
  246  303 0.2298( 0.39 0.41-0.11)     0.00-1323.36  1.04 -1316.63 2.81995 38:57
  247  303 0.2463( 0.41 0.43-0.10)     0.00-1323.38  1.03 -1316.67 2.81794 38:57
  248  302 0.2642( 0.44 0.45-0.10)     0.00-1323.39  1.02 -1316.70 2.81578 38:57
  249  301 0.2820( 0.47 0.46-0.09)     0.00-1323.38  1.01 -1316.73 2.81349 38:57
  250  299 0.2980( 0.49 0.48-0.08)     0.00-1323.36  1.00 -1316.74 2.81106 38:57
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.046 24.062 21.242 109.4: 1800
       0.00:   0.00:   0.00:                   89.990 89.974119.955
  251  298 0.3102( 0.51 0.49-0.07)     0.00-1323.33  0.99 -1316.74 2.80852 38:57
  252  298 0.3179( 0.53 0.49-0.07)     0.00-1323.30  0.99 -1316.73 2.80592 38:57
  253  298 0.3215( 0.53 0.49-0.06)     0.00-1323.28  0.98 -1316.72 2.80315 38:57
  254  298 0.3066( 0.52 0.46-0.06)     0.00-1323.26  0.97 -1316.70 2.80037 38:57
  255  299 0.2884( 0.49 0.43-0.06)     0.00-1323.25  0.96 -1316.69 2.79733 38:57
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.111 24.124 21.234 109.4: 1800
       0.00:   0.00:   0.00:                   89.984 89.985119.955
  256  299 0.2382( 0.43 0.36-0.07)     0.00-1323.25  0.95 -1316.69 2.79469 38:57
  257  300 0.2288( 0.40 0.33-0.04)     0.00-1323.26  0.95 -1316.69 2.79175 38:57
  258  301 0.1801( 0.32 0.26-0.04)     0.00-1323.27  0.94 -1316.70 2.78931 38:57
  259  302 0.1837( 0.30 0.24 0.01)     0.00-1323.29  0.93 -1316.71 2.78669 38:57
  260  302 0.1617( 0.26 0.20 0.02)     0.00-1323.32  0.92 -1316.73 2.78427 38:57
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.173 24.177 21.230 109.4: 1800
       0.00:   0.00:   0.00:                   89.980 89.991119.944
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  261  303 0.1584( 0.24 0.19 0.04)     0.00-1323.34  0.90 -1316.76 2.78178 38:57
  262  303 0.1436( 0.22 0.17 0.05)     0.00-1323.37  0.89 -1316.79 2.77941 38:57
  263  303 0.1399( 0.20 0.16 0.06)     0.00-1323.39  0.88 -1316.83 2.77699 38:57
  264  303 0.1276( 0.18 0.14 0.06)     0.00-1323.40  0.87 -1316.86 2.77467 38:57
  265  302 0.1240( 0.17 0.13 0.07)     0.00-1323.41  0.85 -1316.89 2.77231 38:57
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.221 24.216 21.244 109.4: 1800
       0.00:   0.00:   0.00:                   89.981 89.985119.936
  266  302 0.1105( 0.15 0.12 0.07)     0.00-1323.41  0.84 -1316.91 2.76988 38:57
  267  302 0.0824( 0.11 0.09 0.05)     0.00-1323.41  0.83 -1316.93 2.76780 38:57
  268  302 0.0833( 0.10 0.09 0.06)     0.00-1323.42  0.81 -1316.95 2.76561 38:57
  269  302 0.0581( 0.07 0.06 0.04)     0.00-1323.44  0.80 -1316.97 2.76388 38:57
  270  303 0.0700( 0.08 0.07 0.06)     0.00-1323.48  0.79 -1317.00 2.76209 38:57
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.259 24.244 21.265 109.4: 1800
       0.00:   0.00:   0.00:                   89.982 89.972119.940
  271  305 0.0594( 0.07 0.06 0.06)     0.00-1323.53  0.78 -1317.04 2.76036 38:57
  272  306 0.0434( 0.05 0.04 0.04)     0.00-1323.59  0.77 -1317.08 2.75896 38:57
  273  307 0.0545( 0.05 0.05 0.06)     0.00-1323.66  0.77 -1317.14 2.75743 38:57
  274  307 0.0450( 0.04 0.04 0.05)     0.00-1323.72  0.76 -1317.21 2.75602 38:57
  275  306 0.0489( 0.05 0.04 0.06)     0.00-1323.76  0.76 -1317.27 2.75469 38:57
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.282 24.263 21.286 109.4: 1800
       0.00:   0.00:   0.00:                   89.985 89.976119.942
  276  304 0.0659( 0.06 0.06 0.08)     0.00-1323.79  0.76 -1317.33 2.75311 38:57
  277  302 0.0589( 0.05 0.05 0.07)     0.00-1323.79  0.76 -1317.37 2.75151 38:57
  278  300 0.0554( 0.05 0.05 0.07)     0.00-1323.77  0.76 -1317.39 2.74979 38:57
  279  298 0.0427( 0.03 0.04 0.06)     0.00-1323.73  0.76 -1317.40 2.74832 38:57
  280  296 0.0606( 0.05 0.06 0.08)     0.00-1323.68  0.76 -1317.38 2.74642 38:57
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.302 24.288 21.310 109.4: 1800
       0.00:   0.00:   0.00:                   89.993 89.994119.939
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  281  295 0.0272( 0.02 0.03 0.04)     0.00-1323.63  0.76 -1317.34 2.74560 38:57
  282  295 0.1137( 0.10 0.11 0.13)     0.00-1323.58  0.76 -1317.30 2.74184 38:57
  283  295-0.1385(-0.14-0.13-0.14)     0.00-1323.53  0.76 -1317.25 2.74635 38:57
  284  295 0.5445( 0.51 0.53 0.59)     0.00-1323.50  0.76 -1317.21 2.73236 38:57
  285  296-0.8736(-0.85-0.83-0.94)     0.00-1323.45  0.76 -1317.14 2.75225 38:57
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.282 24.275 21.296 109.4: 1800
       0.00:   0.00:   0.00:                   89.997 90.011119.951
  286  297 1.5554( 1.49 1.50 1.68)     0.00-1323.44  0.76 -1317.11 2.72323 38:57
  287  297-1.5697(-1.52-1.49-1.70)     0.00-1323.37  0.76 -1317.05 2.74933 38:57
  288  297 1.5429( 1.48 1.49 1.66)     0.00-1323.40  0.76 -1317.06 2.72743 38:57
  289  297-0.7901(-0.76-0.74-0.87)     0.00-1323.37  0.76 -1317.05 2.73762 38:57
  290  297 0.5254( 0.51 0.52 0.54)     0.00-1323.36  0.76 -1317.04 2.73203 38:57
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.340 24.336 21.352 109.4: 1800
       0.00:   0.00:   0.00:                   89.993 90.025119.968
  291  296 0.0601( 0.07 0.08 0.03)     0.00-1323.32  0.76 -1317.01 2.73147 38:57
  292  295 0.1680( 0.18 0.19 0.14)     0.00-1323.27  0.76 -1316.97 2.72980 38:57
  293  295 0.1502( 0.17 0.18 0.10)     0.00-1323.22  0.77 -1316.93 2.72807 38:57
  294  295 0.1248( 0.16 0.16 0.06)     0.00-1323.17  0.77 -1316.89 2.72643 38:57
  295  295 0.1041( 0.15 0.14 0.03)     0.00-1323.14  0.77 -1316.84 2.72485 38:57
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.368 24.364 21.362 109.4: 1800
       0.00:   0.00:   0.00:                   89.987 90.038119.983
  296  296 0.0837( 0.14 0.12-0.01)     0.00-1323.11  0.77 -1316.80 2.72352 38:57
  297  297 0.0824( 0.14 0.12-0.02)     0.00-1323.11  0.78 -1316.76 2.72237 38:57
  298  299 0.0893( 0.16 0.14-0.03)     0.00-1323.12  0.78 -1316.74 2.72126 38:57
  299  300 0.0913( 0.18 0.15-0.06)     0.00-1323.15  0.78 -1316.74 2.72026 38:57
  300  302 0.0975( 0.20 0.17-0.08)     0.00-1323.19  0.79 -1316.75 2.71933 38:57
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.398 24.391 21.356 109.4: 1800
       0.00:   0.00:   0.00:                   89.982 90.046119.985
 --------------------------------------------------------------------------------
 Avr   300 0.0302( 0.04 0.03 0.02)     0.00-1323.31  0.94 -1316.76 2.78508
 Std     3 0.3487( 0.40 0.40 0.33)     0.00    0.18  0.14     0.29 0.03640
 --------------------------------------------------------------------------------
 Temperatures: O : 297 Si: 306
 --------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  =============
 <<<=====   Quartz Vashishta potential                                   ====>>>
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  301  302 0.1048( 0.22 0.19-0.10)     0.00-1323.23  0.79 -1316.77 2.71846 38:57
  302  302 0.1152( 0.25 0.22-0.12)     0.00-1323.26  0.80 -1316.79 2.71754 38:57
  303  302 0.1195( 0.26 0.24-0.13)     0.00-1323.28  0.80 -1316.82 2.71660 38:57
  304  300 0.1207( 0.26 0.25-0.14)     0.00-1323.28  0.81 -1316.84 2.71565 38:57
  305  299 0.1213( 0.26 0.25-0.14)     0.00-1323.26  0.82 -1316.85 2.71466 38:57
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.428 24.420 21.342 109.4: 1800
       0.00:   0.00:   0.00:                   89.982 90.048119.984
  306  297 0.1156( 0.24 0.24-0.13)     0.00-1323.22  0.82 -1316.84 2.71359 38:57
  307  295 0.0974( 0.21 0.21-0.12)     0.00-1323.17  0.83 -1316.81 2.71260 38:57
  308  294 0.0797( 0.17 0.17-0.10)     0.00-1323.11  0.84 -1316.77 2.71172 38:57
  309  293 0.0639( 0.13 0.13-0.07)     0.00-1323.05  0.84 -1316.72 2.71098 38:57
  310  293 0.0497( 0.10 0.09-0.04)     0.00-1323.00  0.85 -1316.66 2.71041 38:57
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.459 24.448 21.324 109.4: 1800
       0.00:   0.00:   0.00:                   89.992 90.048119.984
  311  293 0.0378( 0.07 0.05-0.01)     0.00-1322.95  0.86 -1316.59 2.71002 38:57
  312  294 0.0273( 0.05 0.03 0.00)     0.00-1322.91  0.87 -1316.53 2.70983 38:57
  313  295 0.0211( 0.04 0.01 0.01)     0.00-1322.88  0.88 -1316.48 2.70975 38:57
  314  295 0.0098( 0.03-0.00 0.00)     0.00-1322.86  0.89 -1316.44 2.70987 38:57
  315  296 0.0079( 0.03-0.01 0.00)     0.00-1322.85  0.90 -1316.40 2.70996 38:57
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.468 24.448 21.317 109.4: 1800
       0.00:   0.00:   0.00:                   90.018 90.046119.972
  316  296-0.0094( 0.02-0.03-0.02)     0.00-1322.83  0.91 -1316.37 2.71033 38:57
  317  295-0.0027( 0.03-0.02-0.01)     0.00-1322.79  0.92 -1316.34 2.71046 38:57
  318  294-0.0284(-0.00-0.04-0.04)     0.00-1322.74  0.93 -1316.30 2.71098 38:57
  319  293-0.0169( 0.02-0.03-0.03)     0.00-1322.67  0.94 -1316.24 2.71119 38:57
  320  291-0.0486(-0.02-0.07-0.06)     0.00-1322.59  0.95 -1316.18 2.71187 38:57
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.467 24.437 21.306 109.4: 1800
       0.00:   0.00:   0.00:                   90.031 90.039119.943
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  321  291-0.0423(-0.01-0.07-0.05)     0.00-1322.52  0.96 -1316.10 2.71246 38:57
  322  292-0.0649(-0.04-0.09-0.07)     0.00-1322.46  0.96 -1316.03 2.71332 38:57
  323  294-0.0791(-0.06-0.11-0.07)     0.00-1322.43  0.97 -1315.96 2.71427 38:57
  324  297-0.1092(-0.09-0.15-0.09)     0.00-1322.44  0.97 -1315.91 2.71549 38:57
  325  300-0.1334(-0.12-0.18-0.10)     0.00-1322.48  0.97 -1315.89 2.71681 38:57
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.452 24.415 21.293 109.4: 1800
       0.00:   0.00:   0.00:                   90.033 90.029119.915
  326  303-0.1639(-0.17-0.21-0.11)     0.00-1322.54  0.97 -1315.90 2.71827 38:57
  327  304-0.1926(-0.21-0.25-0.12)     0.00-1322.61  0.97 -1315.93 2.71979 38:57
  328  305-0.2197(-0.25-0.28-0.13)     0.00-1322.68  0.97 -1315.99 2.72147 38:57
  329  305-0.2267(-0.28-0.29-0.11)     0.00-1322.73  0.97 -1316.05 2.72323 38:57
  330  303-0.2185(-0.29-0.28-0.08)     0.00-1322.75  0.97 -1316.10 2.72502 38:57
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.422 24.383 21.282 109.4: 1800
       0.00:   0.00:   0.00:                   90.029 90.027119.909
  331  301-0.1969(-0.29-0.25-0.05)     0.00-1322.74  0.97 -1316.13 2.72691 38:58
  332  298-0.1566(-0.26-0.21 0.00)     0.00-1322.70  0.97 -1316.15 2.72851 38:58
  333  296-0.1444(-0.26-0.19 0.01)     0.00-1322.65  0.97 -1316.14 2.73010 38:58
  334  295-0.1341(-0.26-0.17 0.02)     0.00-1322.59  0.97 -1316.10 2.73168 38:58
  335  294-0.1292(-0.25-0.16 0.02)     0.00-1322.54  0.97 -1316.06 2.73351 38:58
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.381 24.350 21.284 109.4: 1800
       0.00:   0.00:   0.00:                   90.026 90.025119.926
  336  295-0.1091(-0.22-0.13 0.03)     0.00-1322.51  0.97 -1316.02 2.73518 38:58
  337  297-0.1190(-0.22-0.14 0.01)     0.00-1322.51  0.97 -1315.98 2.73695 38:58
  338  299-0.1333(-0.23-0.16-0.01)     0.00-1322.54  0.97 -1315.96 2.73867 38:58
  339  302-0.1653(-0.27-0.19-0.03)     0.00-1322.60  0.97 -1315.97 2.74049 38:58
  340  304-0.1936(-0.30-0.23-0.05)     0.00-1322.67  0.96 -1316.00 2.74230 38:58
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.342 24.318 21.282 109.4: 1800
       0.00:   0.00:   0.00:                   90.032 90.020119.948
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  341  306-0.2229(-0.34-0.27-0.06)     0.00-1322.75  0.96 -1316.06 2.74427 38:58
  342  306-0.2305(-0.35-0.29-0.05)     0.00-1322.82  0.96 -1316.12 2.74628 38:58
  343  306-0.2225(-0.35-0.29-0.03)     0.00-1322.88  0.95 -1316.19 2.74831 38:58
  344  305-0.2007(-0.33-0.27 0.01)     0.00-1322.92  0.95 -1316.26 2.75022 38:58
  345  303-0.1803(-0.31-0.25 0.03)     0.00-1322.94  0.95 -1316.31 2.75201 38:58
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.301 24.279 21.280 109.4: 1800
       0.00:   0.00:   0.00:                   90.040 90.012119.959
  346  302-0.1643(-0.30-0.24 0.04)     0.00-1322.95  0.94 -1316.35 2.75369 38:58
  347  301-0.1529(-0.29-0.22 0.05)     0.00-1322.95  0.94 -1316.37 2.75532 38:58
  348  301-0.1453(-0.27-0.20 0.04)     0.00-1322.96  0.94 -1316.39 2.75707 38:58
  349  301-0.1230(-0.24-0.17 0.04)     0.00-1322.98  0.94 -1316.40 2.75858 38:58
  350  301-0.1275(-0.23-0.17 0.01)     0.00-1323.00  0.94 -1316.42 2.76037 38:58
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.259 24.242 21.287 109.4: 1800
       0.00:   0.00:   0.00:                   90.044 89.999119.972
  351  301-0.1019(-0.19-0.13 0.01)     0.00-1323.03  0.94 -1316.44 2.76197 38:58
  352  301-0.0961(-0.16-0.12-0.01)     0.00-1323.06  0.95 -1316.46 2.76350 38:58
  353  301-0.0900(-0.14-0.10-0.03)     0.00-1323.07  0.95 -1316.48 2.76497 38:58
  354  300-0.0815(-0.12-0.09-0.03)     0.00-1323.07  0.96 -1316.50 2.76633 38:58
  355  298-0.0733(-0.10-0.08-0.04)     0.00-1323.05  0.97 -1316.50 2.76758 38:58
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.225 24.215 21.287 109.4: 1800
       0.00:   0.00:   0.00:                   90.029 89.994119.986
  356  296-0.0635(-0.08-0.07-0.04)     0.00-1323.01  0.98 -1316.49 2.76881 38:58
  357  294-0.0441(-0.06-0.05-0.03)     0.00-1322.95  0.99 -1316.45 2.76972 38:58
  358  292-0.0498(-0.06-0.05-0.04)     0.00-1322.87  1.00 -1316.40 2.77069 38:58
  359  291-0.0417(-0.06-0.04-0.03)     0.00-1322.79  1.00 -1316.33 2.77164 38:58
  360  291-0.0365(-0.05-0.03-0.03)     0.00-1322.72  1.01 -1316.25 2.77263 38:58
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.205 24.201 21.282 109.4: 1800
       0.00:   0.00:   0.00:                   90.003 90.002120.000
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  361  292-0.0311(-0.05-0.02-0.02)     0.00-1322.67  1.01 -1316.18 2.77365 38:58
  362  295-0.0311(-0.05-0.02-0.02)     0.00-1322.65  1.02 -1316.11 2.77468 38:58
  363  298-0.0402(-0.06-0.03-0.03)     0.00-1322.67  1.02 -1316.07 2.77589 38:58
  364  301-0.0393(-0.06-0.03-0.02)     0.00-1322.72  1.02 -1316.06 2.77715 38:58
  365  304-0.0405(-0.06-0.04-0.02)     0.00-1322.79  1.01 -1316.08 2.77839 38:58
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.181 24.190 21.273 109.4: 1800
       0.00:   0.00:   0.00:                   89.993 90.009120.018
  366  306-0.0463(-0.07-0.04-0.03)     0.00-1322.88  1.01 -1316.13 2.77963 38:58
  367  308-0.0527(-0.07-0.05-0.03)     0.00-1322.97  1.00 -1316.20 2.78085 38:58
  368  308-0.0569(-0.07-0.06-0.04)     0.00-1323.05  0.99 -1316.28 2.78211 38:58
  369  308-0.0493(-0.05-0.06-0.03)     0.00-1323.13  0.99 -1316.37 2.78337 38:58
  370  307-0.0315(-0.03-0.05-0.02)     0.00-1323.18  0.98 -1316.45 2.78430 38:58
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.160 24.171 21.261 109.4: 1800
       0.00:   0.00:   0.00:                   89.996 90.012120.012
  371  305-0.0403(-0.03-0.05-0.04)     0.00-1323.21  0.97 -1316.52 2.78533 38:58
  372  303-0.0266(-0.01-0.04-0.03)     0.00-1323.22  0.97 -1316.57 2.78612 38:58
  373  301-0.0305(-0.01-0.04-0.04)     0.00-1323.20  0.96 -1316.61 2.78690 38:58
  374  299-0.0283(-0.00-0.05-0.04)     0.00-1323.17  0.96 -1316.62 2.78767 38:58
  375  297-0.0241(-0.00-0.04-0.03)     0.00-1323.13  0.95 -1316.61 2.78842 38:58
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.152 24.153 21.249 109.4: 1800
       0.00:   0.00:   0.00:                   90.002 90.006119.993
  376  296-0.0210(-0.00-0.03-0.02)     0.00-1323.08  0.96 -1316.58 2.78909 38:58
  377  295-0.0293(-0.01-0.04-0.03)     0.00-1323.04  0.96 -1316.55 2.78990 38:58
  378  295-0.0266(-0.01-0.04-0.02)     0.00-1323.00  0.96 -1316.51 2.79073 38:58
  379  295-0.0262(-0.02-0.04-0.02)     0.00-1322.97  0.97 -1316.47 2.79157 38:58
  380  296-0.0280(-0.03-0.04-0.02)     0.00-1322.95  0.97 -1316.43 2.79243 38:58
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.142 24.136 21.240 109.4: 1800
       0.00:   0.00:   0.00:                   89.992 90.013119.989
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  381  296-0.0298(-0.03-0.03-0.02)     0.00-1322.93  0.98 -1316.40 2.79330 38:58
  382  296-0.0283(-0.03-0.03-0.02)     0.00-1322.91  0.98 -1316.37 2.79417 38:58
  383  296-0.0223(-0.03-0.02-0.02)     0.00-1322.89  0.99 -1316.35 2.79498 38:58
  384  296-0.0177(-0.02-0.01-0.02)     0.00-1322.86  1.00 -1316.32 2.79569 38:58
  385  296-0.0176(-0.03-0.01-0.02)     0.00-1322.83  1.00 -1316.29 2.79641 38:58
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.130 24.127 21.234 109.4: 1800
       0.00:   0.00:   0.00:                   89.975 90.018120.011
  386  296-0.0108(-0.02 0.00-0.01)     0.00-1322.80  1.00 -1316.25 2.79695 38:58
  387  297-0.0208(-0.03-0.00-0.03)     0.00-1322.78  1.00 -1316.22 2.79782 38:58
  388  298 0.0073(-0.01 0.03 0.01)     0.00-1322.78  1.00 -1316.20 2.79775 38:58
  389  299-0.0707(-0.09-0.05-0.07)     0.00-1322.79  1.00 -1316.18 2.79994 38:58
  390  301 0.1089( 0.07 0.13 0.13)     0.00-1322.82  0.99 -1316.19 2.79744 38:58
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.124 24.131 21.234 109.4: 1800
       0.00:   0.00:   0.00:                   89.976 90.016120.041
  391  302-0.2474(-0.27-0.21-0.26)     0.00-1322.85  0.99 -1316.20 2.80284 38:58
  392  304 0.3040( 0.24 0.31 0.36)     0.00-1322.91  0.99 -1316.23 2.79740 38:58
  393  304-0.3776(-0.42-0.34-0.38)     0.00-1322.95  0.98 -1316.27 2.80347 38:58
  394  304 0.2700( 0.19 0.28 0.34)     0.00-1323.00  0.98 -1316.32 2.79985 38:58
  395  303-0.1773(-0.24-0.15-0.14)     0.00-1323.02  0.98 -1316.36 2.80199 38:58
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.105 24.123 21.228 109.4: 1800
       0.00:   0.00:   0.00:                   89.981 90.015120.060
  396  302 0.0538(-0.03 0.07 0.12)     0.00-1323.03  0.98 -1316.40 2.80142 38:58
  397  300-0.0085(-0.09 0.02 0.05)     0.00-1323.01  0.98 -1316.41 2.80154 38:58
  398  298 0.0253(-0.05 0.05 0.08)     0.00-1322.98  0.98 -1316.41 2.80125 38:58
  399  297 0.0278(-0.05 0.06 0.07)     0.00-1322.94  0.98 -1316.40 2.80090 38:58
  400  296 0.0350(-0.03 0.07 0.07)     0.00-1322.90  0.98 -1316.37 2.80043 38:58
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.101 24.132 21.238 109.4: 1800
       0.00:   0.00:   0.00:                   89.984 90.015120.074
 --------------------------------------------------------------------------------
 Avr   299-0.0529(-0.07-0.06-0.03)     0.00-1322.88  0.95 -1316.33 2.75629
 Std     4 0.1069( 0.16 0.14 0.09)     0.00    0.21  0.05     0.24 0.03356
 --------------------------------------------------------------------------------
 Temperatures: O : 294 Si: 308
 --------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  =============
 <<<=====   Quartz Vashishta potential                                   ====>>>
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  401  296 0.0370(-0.01 0.07 0.05)     0.00-1322.87  0.98 -1316.34 2.79989 38:58
  402  297 0.0379( 0.01 0.06 0.04)     0.00-1322.85  0.98 -1316.30 2.79930 38:58
  403  298 0.0372( 0.02 0.05 0.03)     0.00-1322.84  0.98 -1316.28 2.79868 38:58
  404  299 0.0368( 0.04 0.04 0.03)     0.00-1322.86  0.98 -1316.26 2.79802 38:58
  405  301 0.0363( 0.05 0.03 0.03)     0.00-1322.88  0.98 -1316.26 2.79739 38:58
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.107 24.144 21.244 109.4: 1800
       0.00:   0.00:   0.00:                   89.987 90.012120.071
  406  302 0.0443( 0.06 0.03 0.04)     0.00-1322.92  0.98 -1316.28 2.79667 38:58
  407  303 0.0492( 0.07 0.02 0.05)     0.00-1322.96  0.98 -1316.30 2.79592 38:58
  408  304 0.0585( 0.08 0.03 0.07)     0.00-1323.00  0.98 -1316.34 2.79517 38:58
  409  304 0.0769( 0.10 0.04 0.10)     0.00-1323.04  0.97 -1316.38 2.79435 38:58
  410  304 0.0970( 0.12 0.05 0.12)     0.00-1323.07  0.97 -1316.42 2.79349 38:58
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.118 24.151 21.255 109.4: 1800
       0.00:   0.00:   0.00:                   89.989 90.010120.055
  411  304 0.1216( 0.14 0.07 0.15)     0.00-1323.10  0.96 -1316.45 2.79242 38:58
  412  303 0.1332( 0.16 0.09 0.16)     0.00-1323.13  0.95 -1316.49 2.79127 38:58
  413  303 0.1445( 0.16 0.11 0.16)     0.00-1323.16  0.95 -1316.53 2.79004 38:58
  414  303 0.1558( 0.18 0.14 0.16)     0.00-1323.18  0.94 -1316.56 2.78873 38:58
  415  303 0.1663( 0.19 0.16 0.15)     0.00-1323.21  0.93 -1316.60 2.78734 38:58
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.137 24.165 21.271 109.4: 1800
       0.00:   0.00:   0.00:                   89.991 90.008120.045
  416  303 0.1765( 0.20 0.19 0.14)     0.00-1323.23  0.92 -1316.63 2.78589 38:58
  417  303 0.1863( 0.22 0.22 0.12)     0.00-1323.26  0.91 -1316.67 2.78436 38:58
  418  303 0.1954( 0.23 0.24 0.11)     0.00-1323.28  0.89 -1316.70 2.78278 38:58
  419  303 0.2031( 0.25 0.25 0.10)     0.00-1323.31  0.88 -1316.74 2.78113 38:58
  420  303 0.2088( 0.27 0.26 0.09)     0.00-1323.33  0.87 -1316.77 2.77945 38:58
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.165 24.193 21.282 109.4: 1800
       0.00:   0.00:   0.00:                   89.992 90.010120.046
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  421  303 0.2123( 0.29 0.26 0.08)     0.00-1323.35  0.86 -1316.81 2.77765 38:58
  422  303 0.2031( 0.29 0.25 0.07)     0.00-1323.37  0.84 -1316.84 2.77584 38:58
  423  303 0.1903( 0.29 0.22 0.06)     0.00-1323.39  0.83 -1316.88 2.77387 38:58
  424  303 0.1554( 0.25 0.18 0.03)     0.00-1323.41  0.82 -1316.91 2.77199 38:58
  425  303 0.1274( 0.21 0.15 0.02)     0.00-1323.43  0.81 -1316.94 2.77017 38:58
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.204 24.226 21.289 109.4: 1800
       0.00:   0.00:   0.00:                   89.991 90.012120.040
  426  303 0.1025( 0.18 0.12 0.01)     0.00-1323.46  0.80 -1316.97 2.76843 38:58
  427  302 0.0816( 0.14 0.10 0.00)     0.00-1323.47  0.80 -1317.00 2.76674 38:58
  428  302 0.0629( 0.11 0.08-0.01)     0.00-1323.48  0.79 -1317.03 2.76527 38:58
  429  301 0.0642( 0.11 0.09-0.00)     0.00-1323.49  0.79 -1317.05 2.76363 38:58
  430  301 0.0401( 0.09 0.06-0.03)     0.00-1323.49  0.78 -1317.07 2.76237 38:58
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.239 24.254 21.291 109.4: 1800
       0.00:   0.00:   0.00:                   89.978 90.010120.030
  431  301 0.0527( 0.10 0.07-0.02)     0.00-1323.50  0.78 -1317.08 2.76085 38:58
  432  301 0.0276( 0.08 0.05-0.05)     0.00-1323.51  0.78 -1317.09 2.75976 38:58
  433  301 0.0443( 0.10 0.07-0.04)     0.00-1323.53  0.78 -1317.11 2.75834 38:58
  434  301 0.0171( 0.08 0.04-0.07)     0.00-1323.54  0.77 -1317.12 2.75743 38:58
  435  301 0.0441( 0.11 0.07-0.04)     0.00-1323.55  0.77 -1317.14 2.75601 38:58
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.272 24.278 21.286 109.4: 1800
       0.00:   0.00:   0.00:                   89.966 89.992120.008
  436  301 0.0087( 0.07 0.03-0.08)     0.00-1323.56  0.77 -1317.15 2.75531 38:59
  437  300 0.0540( 0.11 0.08-0.02)     0.00-1323.55  0.77 -1317.16 2.75374 38:59
  438  299-0.0035( 0.04 0.03-0.08)     0.00-1323.54  0.77 -1317.16 2.75339 38:59
  439  299 0.0752( 0.10 0.11 0.01)     0.00-1323.53  0.77 -1317.16 2.75164 38:59
  440  298-0.0111( 0.01 0.04-0.08)     0.00-1323.51  0.76 -1317.15 2.75154 38:59
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.297 24.296 21.279 109.4: 1800
       0.00:   0.00:   0.00:                   89.966 89.961119.992
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  441  298 0.0863( 0.09 0.14 0.03)     0.00-1323.49  0.76 -1317.14 2.74981 38:59
  442  298-0.0090(-0.01 0.05-0.07)     0.00-1323.47  0.76 -1317.12 2.74974 38:59
  443  298 0.0771( 0.06 0.15 0.03)     0.00-1323.45  0.76 -1317.11 2.74847 38:59
  444  298 0.0202(-0.00 0.10-0.04)     0.00-1323.44  0.75 -1317.10 2.74804 38:59
  445  299 0.0507( 0.02 0.13-0.01)     0.00-1323.44  0.75 -1317.09 2.74725 38:59
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.311 24.321 21.280 109.4: 1800
       0.00:   0.00:   0.00:                   89.965 89.946120.005
  446  299 0.0329( 0.01 0.12-0.03)     0.00-1323.43  0.75 -1317.08 2.74668 38:59
  447  300 0.0322( 0.01 0.11-0.03)     0.00-1323.43  0.74 -1317.08 2.74612 38:59
  448  300 0.0243( 0.00 0.10-0.03)     0.00-1323.44  0.74 -1317.08 2.74567 38:59
  449  301 0.0214( 0.00 0.09-0.03)     0.00-1323.45  0.74 -1317.08 2.74524 38:59
  450  301 0.0124(-0.00 0.06-0.02)     0.00-1323.47  0.73 -1317.09 2.74499 38:59
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.318 24.344 21.276 109.4: 1800
       0.00:   0.00:   0.00:                   89.962 89.946120.024
  451  302 0.0162(-0.00 0.06-0.00)     0.00-1323.49  0.73 -1317.11 2.74468 38:59
  452  302 0.0053(-0.01 0.03-0.00)     0.00-1323.52  0.74 -1317.13 2.74464 38:59
  453  302 0.0197(-0.00 0.03 0.03)     0.00-1323.54  0.74 -1317.15 2.74434 38:59
  454  301 0.0016(-0.02 0.00 0.02)     0.00-1323.56  0.74 -1317.17 2.74447 38:59
  455  301 0.0301( 0.01 0.02 0.06)     0.00-1323.57  0.75 -1317.19 2.74407 38:59
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.316 24.354 21.277 109.4: 1800
       0.00:   0.00:   0.00:                   89.969 89.956120.029
  456  300 0.0001(-0.02-0.02 0.04)     0.00-1323.57  0.75 -1317.20 2.74426 38:59
  457  298 0.0376( 0.02 0.01 0.09)     0.00-1323.55  0.76 -1317.20 2.74387 38:59
  458  297 0.0093(-0.01-0.03 0.06)     0.00-1323.53  0.77 -1317.19 2.74393 38:59
  459  297 0.0315( 0.02-0.01 0.09)     0.00-1323.50  0.77 -1317.17 2.74369 38:59
  460  296 0.0169( 0.01-0.03 0.07)     0.00-1323.47  0.78 -1317.14 2.74366 38:59
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.312 24.350 21.286 109.4: 1800
       0.00:   0.00:   0.00:                   89.976 89.968120.023
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  461  296 0.0229( 0.03-0.03 0.07)     0.00-1323.44  0.79 -1317.11 2.74353 38:59
  462  296 0.0152( 0.03-0.04 0.05)     0.00-1323.42  0.79 -1317.08 2.74350 38:59
  463  297 0.0186( 0.05-0.03 0.04)     0.00-1323.40  0.79 -1317.05 2.74340 38:59
  464  297 0.0139( 0.05-0.04 0.03)     0.00-1323.38  0.80 -1317.02 2.74335 38:59
  465  296 0.0171( 0.07-0.04 0.02)     0.00-1323.35  0.80 -1316.99 2.74323 38:59
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.315 24.341 21.291 109.4: 1800
       0.00:   0.00:   0.00:                   89.982 89.976120.008
  466  296 0.0146( 0.07-0.04 0.01)     0.00-1323.31  0.80 -1316.97 2.74314 38:59
  467  296 0.0182( 0.08-0.03 0.00)     0.00-1323.28  0.80 -1316.93 2.74297 38:59
  468  296 0.0164( 0.08-0.03-0.00)     0.00-1323.24  0.80 -1316.90 2.74282 38:59
  469  295 0.0180( 0.07-0.02 0.00)     0.00-1323.20  0.80 -1316.86 2.74263 38:59
  470  295 0.0157( 0.06-0.01 0.00)     0.00-1323.16  0.80 -1316.83 2.74246 38:59
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.326 24.333 21.290 109.4: 1800
       0.00:   0.00:   0.00:                   89.984 89.979119.988
  471  296 0.0148( 0.04-0.00 0.00)     0.00-1323.12  0.80 -1316.79 2.74230 38:59
  472  296 0.0134( 0.03 0.00 0.01)     0.00-1323.09  0.80 -1316.75 2.74217 38:59
  473  296 0.0139( 0.02 0.01 0.01)     0.00-1323.07  0.81 -1316.72 2.74203 38:59
  474  296 0.0118( 0.01 0.01 0.02)     0.00-1323.05  0.81 -1316.68 2.74195 38:59
  475  297 0.0129( 0.00 0.02 0.02)     0.00-1323.03  0.82 -1316.66 2.74185 38:59
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.330 24.332 21.292 109.4: 1800
       0.00:   0.00:   0.00:                   89.989 89.979119.987
  476  297 0.0111(-0.01 0.02 0.02)     0.00-1323.01  0.83 -1316.63 2.74179 38:59
  477  297 0.0126(-0.01 0.02 0.03)     0.00-1322.99  0.84 -1316.60 2.74173 38:59
  478  296 0.0114(-0.02 0.02 0.03)     0.00-1322.97  0.85 -1316.57 2.74168 38:59
  479  296 0.0106(-0.02 0.03 0.03)     0.00-1322.96  0.86 -1316.54 2.74165 38:59
  480  296 0.0078(-0.02 0.03 0.02)     0.00-1322.94  0.87 -1316.51 2.74163 38:59
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.328 24.335 21.294 109.4: 1800
       0.00:   0.00:   0.00:                   89.994 89.979119.995
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  481  296 0.0043(-0.02 0.02 0.02)     0.00-1322.92  0.89 -1316.48 2.74164 38:59
  482  297 0.0007(-0.02 0.01 0.01)     0.00-1322.92  0.90 -1316.45 2.74167 38:59
  483  297-0.0019(-0.01 0.01-0.00)     0.00-1322.91  0.91 -1316.43 2.74172 38:59
  484  297-0.0046(-0.00-0.00-0.01)     0.00-1322.91  0.92 -1316.41 2.74178 38:59
  485  298-0.0066(-0.00-0.01-0.01)     0.00-1322.90  0.93 -1316.39 2.74185 38:59
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.326 24.338 21.293 109.4: 1800
       0.00:   0.00:   0.00:                   89.995 89.984119.994
  486  297-0.0073( 0.00-0.01-0.01)     0.00-1322.89  0.94 -1316.37 2.74190 38:59
  487  297-0.0084( 0.01-0.02-0.01)     0.00-1322.87  0.95 -1316.35 2.74195 38:59
  488  296-0.0079( 0.01-0.03-0.00)     0.00-1322.84  0.96 -1316.33 2.74200 38:59
  489  296-0.0082( 0.00-0.03 0.00)     0.00-1322.80  0.97 -1316.30 2.74206 38:59
  490  295-0.0095( 0.00-0.04 0.01)     0.00-1322.76  0.97 -1316.26 2.74214 38:59
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.325 24.335 21.291 109.4: 1800
       0.00:   0.00:   0.00:                   89.995 89.987119.985
  491  295-0.0137(-0.01-0.05 0.02)     0.00-1322.72  0.98 -1316.22 2.74226 38:59
  492  295-0.0208(-0.02-0.07 0.02)     0.00-1322.68  0.98 -1316.17 2.74246 38:59
  493  295-0.0297(-0.03-0.09 0.03)     0.00-1322.65  0.99 -1316.13 2.74276 38:59
  494  296-0.0396(-0.04-0.10 0.03)     0.00-1322.63  1.00 -1316.09 2.74316 38:59
  495  297-0.0499(-0.06-0.12 0.03)     0.00-1322.62  1.00 -1316.06 2.74366 38:59
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.319 24.324 21.293 109.4: 1800
       0.00:   0.00:   0.00:                   89.996 89.991119.979
  496  298-0.0593(-0.07-0.14 0.03)     0.00-1322.62  1.01 -1316.03 2.74425 38:59
  497  298-0.0672(-0.08-0.15 0.03)     0.00-1322.62  1.01 -1316.02 2.74492 38:59
  498  298-0.0731(-0.08-0.16 0.02)     0.00-1322.62  1.02 -1316.01 2.74565 38:59
  499  298-0.0768(-0.09-0.16 0.02)     0.00-1322.61  1.02 -1316.00 2.74646 38:59
  500  298-0.0746(-0.09-0.14 0.01)     0.00-1322.60  1.03 -1315.99 2.74740 38:59
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.304 24.304 21.293 109.4: 1800
       0.00:   0.00:   0.00:                   89.998 89.999119.973
 --------------------------------------------------------------------------------
 Avr   299 0.0400( 0.05 0.04 0.03)     0.00-1323.19  0.85 -1316.73 2.75711
 Std     2 0.0655( 0.09 0.09 0.05)     0.00    0.30  0.09     0.37 0.01936
 --------------------------------------------------------------------------------
 Temperatures: O : 294 Si: 310
 --------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  =============
 <<<=====   Quartz Vashishta potential                                   ====>>>
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  501  298-0.0622(-0.08-0.12 0.01)     0.00-1322.59  1.03 -1315.98 2.74834 38:59
  502  297-0.0521(-0.07-0.09 0.00)     0.00-1322.57  1.04 -1315.96 2.74931 38:59
  503  297-0.0445(-0.05-0.07-0.01)     0.00-1322.55  1.04 -1315.94 2.75023 38:59
  504  298-0.0491(-0.05-0.06-0.03)     0.00-1322.55  1.04 -1315.92 2.75125 38:59
  505  299-0.0475(-0.05-0.05-0.04)     0.00-1322.55  1.04 -1315.91 2.75229 38:59
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.288 24.286 21.286 109.4: 1800
       0.00:   0.00:   0.00:                   90.006 90.010119.974
  506  299-0.0496(-0.05-0.05-0.05)     0.00-1322.56  1.04 -1315.91 2.75330 38:59
  507  300-0.0598(-0.06-0.06-0.06)     0.00-1322.57  1.04 -1315.91 2.75428 38:59
  508  301-0.0754(-0.08-0.07-0.08)     0.00-1322.59  1.03 -1315.92 2.75528 38:59
  509  301-0.0898(-0.09-0.08-0.09)     0.00-1322.60  1.03 -1315.93 2.75627 38:59
  510  301-0.1053(-0.11-0.10-0.10)     0.00-1322.62  1.03 -1315.95 2.75724 38:59
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.274 24.274 21.272 109.4: 1800
       0.00:   0.00:   0.00:                   90.010 90.019119.978
  511  301-0.1216(-0.13-0.13-0.11)     0.00-1322.63  1.02 -1315.97 2.75832 38:59
  512  301-0.1222(-0.13-0.14-0.10)     0.00-1322.65  1.02 -1315.98 2.75944 38:59
  513  301-0.1156(-0.12-0.16-0.07)     0.00-1322.66  1.01 -1316.00 2.76053 38:59
  514  301-0.1097(-0.10-0.17-0.05)     0.00-1322.67  1.01 -1316.02 2.76159 38:59
  515  301-0.1054(-0.09-0.19-0.03)     0.00-1322.68  1.00 -1316.04 2.76262 38:59
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.256 24.253 21.262 109.4: 1800
       0.00:   0.00:   0.00:                   90.007 90.027119.972
  516  301-0.1026(-0.08-0.20-0.02)     0.00-1322.69  1.00 -1316.05 2.76363 38:59
  517  301-0.1017(-0.08-0.21-0.01)     0.00-1322.70  0.99 -1316.07 2.76464 38:59
  518  302-0.1017(-0.08-0.22-0.01)     0.00-1322.72  0.98 -1316.09 2.76566 38:59
  519  302-0.1023(-0.08-0.21-0.01)     0.00-1322.75  0.98 -1316.11 2.76659 38:59
  520  303-0.1125(-0.09-0.22-0.02)     0.00-1322.79  0.97 -1316.14 2.76746 38:59
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.239 24.223 21.262 109.4: 1800
       0.00:   0.00:   0.00:                   89.994 90.034119.951
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  521  303-0.1271(-0.11-0.23-0.04)     0.00-1322.83  0.97 -1316.18 2.76831 38:59
  522  304-0.1395(-0.13-0.24-0.05)     0.00-1322.87  0.96 -1316.22 2.76925 38:59
  523  303-0.1351(-0.13-0.23-0.05)     0.00-1322.90  0.96 -1316.26 2.77018 38:59
  524  302-0.1213(-0.12-0.20-0.04)     0.00-1322.92  0.96 -1316.29 2.77112 38:59
  525  301-0.0957(-0.10-0.16-0.02)     0.00-1322.93  0.96 -1316.32 2.77191 38:59
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.222 24.197 21.263 109.4: 1800
       0.00:   0.00:   0.00:                   89.978 90.033119.939
  526  300-0.0744(-0.08-0.12-0.02)     0.00-1322.92  0.96 -1316.34 2.77257 38:59
  527  299-0.0576(-0.07-0.09-0.02)     0.00-1322.90  0.96 -1316.34 2.77306 38:59
  528  298-0.0496(-0.06-0.06-0.03)     0.00-1322.87  0.96 -1316.34 2.77349 38:59
  529  297-0.0392(-0.05-0.04-0.03)     0.00-1322.85  0.96 -1316.32 2.77384 38:59
  530  297-0.0335(-0.04-0.03-0.03)     0.00-1322.82  0.96 -1316.30 2.77417 38:59
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.212 24.186 21.264 109.4: 1800
       0.00:   0.00:   0.00:                   89.961 90.027119.940
  531  298-0.0263(-0.04-0.01-0.03)     0.00-1322.81  0.95 -1316.28 2.77447 38:59
  532  299-0.0189(-0.03-0.00-0.02)     0.00-1322.81  0.95 -1316.26 2.77473 38:59
  533  300-0.0131(-0.02 0.00-0.02)     0.00-1322.82  0.95 -1316.26 2.77495 38:59
  534  301-0.0093(-0.02 0.01-0.01)     0.00-1322.84  0.95 -1316.26 2.77514 38:59
  535  301-0.0024(-0.02 0.01-0.00)     0.00-1322.86  0.95 -1316.27 2.77522 38:59
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.207 24.187 21.261 109.4: 1800
       0.00:   0.00:   0.00:                   89.962 90.020119.945
  536  301-0.0019(-0.02 0.01-0.00)     0.00-1322.88  0.94 -1316.29 2.77531 38:59
  537  301 0.0083(-0.01 0.03 0.01)     0.00-1322.89  0.94 -1316.30 2.77519 38:59
  538  301 0.0009(-0.02 0.02 0.00)     0.00-1322.90  0.94 -1316.32 2.77525 38:59
  539  301 0.0212(-0.01 0.04 0.03)     0.00-1322.91  0.94 -1316.34 2.77485 38:59
  540  300-0.0070(-0.03 0.02-0.00)     0.00-1322.91  0.93 -1316.35 2.77509 38:59
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.203 24.195 21.260 109.4: 1800
       0.00:   0.00:   0.00:                   89.974 90.019119.952
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  541  300 0.0413( 0.01 0.06 0.05)     0.00-1322.91  0.93 -1316.35 2.77438 38:59
  542  300-0.0167(-0.04 0.01-0.01)     0.00-1322.92  0.93 -1316.36 2.77478 39: 0
  543  300 0.0517( 0.03 0.07 0.06)     0.00-1322.93  0.93 -1316.37 2.77405 39: 0
  544  300-0.0049(-0.02 0.01-0.00)     0.00-1322.93  0.92 -1316.38 2.77423 39: 0
  545  300 0.0426( 0.03 0.05 0.04)     0.00-1322.93  0.92 -1316.38 2.77379 39: 0
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.204 24.203 21.263 109.4: 1800
       0.00:   0.00:   0.00:                   89.987 90.014119.955
  546  299 0.0218( 0.02 0.03 0.02)     0.00-1322.92  0.92 -1316.39 2.77361 39: 0
  547  299 0.0328( 0.03 0.04 0.03)     0.00-1322.91  0.92 -1316.39 2.77333 39: 0
  548  299 0.0335( 0.04 0.04 0.03)     0.00-1322.90  0.92 -1316.38 2.77303 39: 0
  549  298 0.0334( 0.04 0.04 0.02)     0.00-1322.89  0.93 -1316.37 2.77276 39: 0
  550  298 0.0348( 0.04 0.04 0.02)     0.00-1322.88  0.93 -1316.36 2.77249 39: 0
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.210 24.207 21.265 109.4: 1800
       0.00:   0.00:   0.00:                   89.997 90.009119.958
  551  299 0.0345( 0.05 0.04 0.02)     0.00-1322.88  0.93 -1316.35 2.77222 39: 0
  552  299 0.0341( 0.05 0.04 0.01)     0.00-1322.88  0.93 -1316.34 2.77193 39: 0
  553  299 0.0304( 0.05 0.03 0.01)     0.00-1322.88  0.94 -1316.34 2.77161 39: 0
  554  299 0.0243( 0.05 0.02 0.01)     0.00-1322.88  0.94 -1316.33 2.77130 39: 0
  555  299 0.0190( 0.04 0.01 0.01)     0.00-1322.88  0.94 -1316.33 2.77098 39: 0
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.219 24.210 21.267 109.4: 1800
       0.00:   0.00:   0.00:                   89.997 90.007119.963
  556  300 0.0117( 0.03-0.00 0.00)     0.00-1322.89  0.94 -1316.33 2.77072 39: 0
  557  300 0.0087( 0.02-0.01 0.01)     0.00-1322.90  0.94 -1316.33 2.77045 39: 0
  558  301 0.0016( 0.01-0.02 0.01)     0.00-1322.91  0.94 -1316.34 2.77025 39: 0
  559  302-0.0048( 0.00-0.02 0.01)     0.00-1322.94  0.94 -1316.35 2.77011 39: 0
  560  303-0.0110(-0.01-0.03 0.00)     0.00-1322.98  0.93 -1316.37 2.77004 39: 0
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.221 24.209 21.272 109.4: 1800
       0.00:   0.00:   0.00:                   89.980 90.013119.960
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  561  305-0.0141(-0.02-0.03 0.00)     0.00-1323.04  0.93 -1316.41 2.77001 39: 0
  562  306-0.0182(-0.02-0.04 0.00)     0.00-1323.11  0.92 -1316.46 2.77003 39: 0
  563  307-0.0189(-0.02-0.03 0.00)     0.00-1323.17  0.91 -1316.52 2.77006 39: 0
  564  307-0.0184(-0.02-0.03-0.01)     0.00-1323.24  0.90 -1316.59 2.77010 39: 0
  565  307-0.0144(-0.01-0.02-0.01)     0.00-1323.30  0.89 -1316.66 2.77011 39: 0
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.217 24.207 21.276 109.4: 1800
       0.00:   0.00:   0.00:                   89.959 90.023119.954
  566  306-0.0103(-0.01-0.01-0.01)     0.00-1323.34  0.88 -1316.73 2.77011 39: 0
  567  306-0.0040( 0.00-0.00-0.01)     0.00-1323.38  0.87 -1316.79 2.77008 39: 0
  568  305 0.0010( 0.01 0.01-0.02)     0.00-1323.41  0.85 -1316.85 2.77005 39: 0
  569  304 0.0076( 0.02 0.02-0.01)     0.00-1323.44  0.84 -1316.90 2.77000 39: 0
  570  304 0.0120( 0.02 0.02-0.01)     0.00-1323.46  0.83 -1316.94 2.76996 39: 0
 Msd:  0.02:O  0.02:S  0.00:   0.00:   0.00:   24.219 24.210 21.273 109.4: 1800
       0.00:   0.00:   0.00:                   89.954 90.030119.954
  571  303 0.0171( 0.03 0.03-0.00)     0.00-1323.48  0.82 -1316.98 2.76992 39: 0
  572  303 0.0203( 0.03 0.03 0.00)     0.00-1323.50  0.80 -1317.02 2.76989 39: 0
  573  303 0.0232( 0.03 0.03 0.01)     0.00-1323.52  0.79 -1317.05 2.76986 39: 0
  574  303 0.0250( 0.03 0.03 0.02)     0.00-1323.53  0.78 -1317.08 2.76983 39: 0
  575  302 0.0251( 0.02 0.03 0.02)     0.00-1323.55  0.77 -1317.11 2.76981 39: 0
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.221 24.213 21.270 109.4: 1800
       0.00:   0.00:   0.00:                   89.963 90.035119.958
  576  302 0.0232( 0.02 0.03 0.02)     0.00-1323.56  0.76 -1317.14 2.76979 39: 0
  577  302 0.0194( 0.01 0.03 0.02)     0.00-1323.58  0.75 -1317.17 2.76980 39: 0
  578  303 0.0149(-0.00 0.02 0.02)     0.00-1323.61  0.74 -1317.19 2.76982 39: 0
  579  303 0.0103(-0.01 0.02 0.02)     0.00-1323.63  0.74 -1317.22 2.76986 39: 0
  580  302 0.0063(-0.02 0.01 0.03)     0.00-1323.65  0.74 -1317.25 2.76991 39: 0
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.220 24.214 21.270 109.4: 1800
       0.00:   0.00:   0.00:                   89.972 90.037119.961
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  581  302 0.0037(-0.03 0.01 0.02)     0.00-1323.67  0.73 -1317.28 2.76998 39: 0
  582  301 0.0040(-0.03 0.01 0.02)     0.00-1323.68  0.74 -1317.30 2.77002 39: 0
  583  300 0.0054(-0.02 0.02 0.02)     0.00-1323.68  0.74 -1317.31 2.77004 39: 0
  584  299 0.0071(-0.02 0.03 0.01)     0.00-1323.68  0.75 -1317.32 2.77003 39: 0
  585  298 0.0089(-0.02 0.04 0.01)     0.00-1323.66  0.75 -1317.32 2.76999 39: 0
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.218 24.216 21.271 109.4: 1800
       0.00:   0.00:   0.00:                   89.981 90.033119.965
  586  298 0.0097(-0.02 0.05-0.00)     0.00-1323.65  0.76 -1317.31 2.76994 39: 0
  587  298 0.0111(-0.02 0.06-0.01)     0.00-1323.64  0.77 -1317.29 2.76988 39: 0
  588  298 0.0121(-0.03 0.08-0.01)     0.00-1323.64  0.78 -1317.28 2.76980 39: 0
  589  298 0.0126(-0.04 0.09-0.02)     0.00-1323.64  0.79 -1317.26 2.76971 39: 0
  590  299 0.0141(-0.04 0.11-0.02)     0.00-1323.65  0.79 -1317.25 2.76960 39: 0
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.218 24.224 21.269 109.4: 1800
       0.00:   0.00:   0.00:                   89.986 90.027119.978
  591  299 0.0174(-0.05 0.12-0.02)     0.00-1323.65  0.80 -1317.25 2.76945 39: 0
  592  299 0.0225(-0.04 0.12-0.01)     0.00-1323.65  0.81 -1317.24 2.76925 39: 0
  593  299 0.0286(-0.04 0.12-0.00)     0.00-1323.64  0.81 -1317.24 2.76898 39: 0
  594  298 0.0349(-0.02 0.12 0.01)     0.00-1323.62  0.81 -1317.23 2.76864 39: 0
  595  297 0.0402(-0.01 0.12 0.01)     0.00-1323.59  0.81 -1317.21 2.76823 39: 0
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.219 24.240 21.269 109.4: 1800
       0.00:   0.00:   0.00:                   89.987 90.026119.998
  596  296 0.0431( 0.00 0.11 0.01)     0.00-1323.56  0.81 -1317.19 2.76781 39: 0
  597  296 0.0485( 0.02 0.11 0.02)     0.00-1323.52  0.81 -1317.16 2.76739 39: 0
  598  296 0.0558( 0.03 0.12 0.02)     0.00-1323.48  0.81 -1317.13 2.76691 39: 0
  599  296 0.0536( 0.04 0.12 0.00)     0.00-1323.45  0.80 -1317.09 2.76642 39: 0
  600  297 0.0466( 0.05 0.11-0.01)     0.00-1323.42  0.80 -1317.06 2.76600 39: 0
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.225 24.255 21.270 109.4: 1800
       0.00:   0.00:   0.00:                   89.986 90.025120.010
 --------------------------------------------------------------------------------
 Avr   301-0.0165(-0.03-0.02-0.01)     0.00-1323.09  0.90 -1316.56 2.76850
 Std     2 0.0520( 0.05 0.09 0.03)     0.00    0.38  0.09     0.47 0.00626
 --------------------------------------------------------------------------------
 Temperatures: O : 296 Si: 310
 --------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  =============
 <<<=====   Quartz Vashishta potential                                   ====>>>
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  601  297 0.0434( 0.06 0.10-0.03)     0.00-1323.41  0.80 -1317.04 2.76559 39: 0
  602  298 0.0381( 0.07 0.10-0.05)     0.00-1323.41  0.80 -1317.02 2.76521 39: 0
  603  299 0.0341( 0.08 0.09-0.07)     0.00-1323.40  0.80 -1317.01 2.76485 39: 0
  604  299 0.0318( 0.10 0.08-0.08)     0.00-1323.40  0.81 -1317.00 2.76450 39: 0
  605  298 0.0316( 0.11 0.07-0.09)     0.00-1323.39  0.81 -1316.99 2.76415 39: 0
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.236 24.266 21.265 109.4: 1800
       0.00:   0.00:   0.00:                   89.982 90.023120.011
  606  298 0.0330( 0.12 0.06-0.09)     0.00-1323.38  0.82 -1316.98 2.76377 39: 0
  607  297 0.0351( 0.13 0.06-0.08)     0.00-1323.35  0.83 -1316.96 2.76336 39: 0
  608  296 0.0355( 0.13 0.05-0.07)     0.00-1323.31  0.84 -1316.93 2.76287 39: 0
  609  295 0.0301( 0.12 0.04-0.06)     0.00-1323.27  0.85 -1316.90 2.76238 39: 0
  610  294 0.0242( 0.09 0.03-0.05)     0.00-1323.22  0.86 -1316.85 2.76189 39: 0
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.253 24.273 21.258 109.4: 1800
       0.00:   0.00:   0.00:                   89.980 90.016119.997
  611  294 0.0180( 0.07 0.01-0.03)     0.00-1323.17  0.87 -1316.80 2.76144 39: 0
  612  294 0.0127( 0.04 0.01-0.01)     0.00-1323.13  0.88 -1316.75 2.76104 39: 0
  613  294 0.0082( 0.02 0.00 0.01)     0.00-1323.09  0.89 -1316.69 2.76073 39: 0
  614  295 0.0094( 0.01 0.00 0.02)     0.00-1323.06  0.89 -1316.64 2.76044 39: 0
  615  295 0.0090(-0.00-0.00 0.03)     0.00-1323.03  0.90 -1316.60 2.76023 39: 0
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.261 24.274 21.261 109.4: 1800
       0.00:   0.00:   0.00:                   89.983 90.001119.985
  616  296 0.0140(-0.00 0.00 0.04)     0.00-1323.02  0.91 -1316.56 2.75999 39: 0
  617  297 0.0159(-0.00-0.00 0.05)     0.00-1323.00  0.92 -1316.53 2.75979 39: 0
  618  297 0.0215( 0.01-0.00 0.06)     0.00-1322.99  0.92 -1316.50 2.75957 39: 0
  619  297 0.0279( 0.02-0.00 0.07)     0.00-1322.97  0.93 -1316.48 2.75934 39: 0
  620  297 0.0364( 0.03-0.01 0.09)     0.00-1322.94  0.93 -1316.45 2.75907 39: 0
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.262 24.273 21.269 109.4: 1800
       0.00:   0.00:   0.00:                   89.988 89.992119.982
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  621  296 0.0426( 0.04-0.01 0.10)     0.00-1322.91  0.93 -1316.43 2.75876 39: 0
  622  296 0.0459( 0.05-0.01 0.10)     0.00-1322.88  0.93 -1316.40 2.75843 39: 0
  623  296 0.0467( 0.05-0.02 0.11)     0.00-1322.84  0.93 -1316.36 2.75811 39: 0
  624  296 0.0445( 0.04-0.01 0.11)     0.00-1322.82  0.93 -1316.33 2.75781 39: 0
  625  297 0.0365( 0.01-0.01 0.11)     0.00-1322.81  0.93 -1316.30 2.75756 39: 0
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.266 24.268 21.281 109.4: 1800
       0.00:   0.00:   0.00:                   89.995 89.984119.977
  626  299 0.0241(-0.02-0.00 0.09)     0.00-1322.81  0.93 -1316.28 2.75742 39: 0
  627  300 0.0155(-0.05 0.01 0.09)     0.00-1322.84  0.93 -1316.28 2.75738 39: 0
  628  302 0.0085(-0.08 0.02 0.08)     0.00-1322.87  0.93 -1316.29 2.75739 39: 0
  629  303 0.0017(-0.10 0.04 0.07)     0.00-1322.91  0.92 -1316.31 2.75745 39: 0
  630  303-0.0030(-0.12 0.05 0.06)     0.00-1322.95  0.92 -1316.35 2.75753 39: 0
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.259 24.269 21.290 109.4: 1800
       0.00:   0.00:   0.00:                   90.000 89.979119.995
  631  303-0.0050(-0.13 0.06 0.05)     0.00-1322.98  0.92 -1316.38 2.75760 39: 0
  632  302-0.0045(-0.12 0.07 0.05)     0.00-1323.00  0.92 -1316.42 2.75763 39: 0
  633  300-0.0017(-0.11 0.06 0.04)     0.00-1322.99  0.93 -1316.44 2.75761 39: 0
  634  298 0.0010(-0.08 0.05 0.03)     0.00-1322.96  0.93 -1316.44 2.75752 39: 0
  635  296 0.0016(-0.04 0.03 0.02)     0.00-1322.91  0.93 -1316.43 2.75737 39: 0
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.251 24.277 21.297 109.4: 1800
       0.00:   0.00:   0.00:                   89.993 89.980120.021
  636  295-0.0002(-0.01 0.00 0.01)     0.00-1322.85  0.93 -1316.40 2.75718 39: 0
  637  294-0.0039( 0.01-0.02-0.00)     0.00-1322.79  0.94 -1316.35 2.75705 39: 0
  638  293-0.0033( 0.02-0.02-0.00)     0.00-1322.73  0.94 -1316.29 2.75691 39: 0
  639  294-0.0082( 0.02-0.03-0.01)     0.00-1322.68  0.94 -1316.23 2.75682 39: 0
  640  295-0.0138( 0.01-0.04-0.01)     0.00-1322.65  0.95 -1316.18 2.75678 39: 0
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.253 24.276 21.300 109.4: 1800
       0.00:   0.00:   0.00:                   89.977 89.984120.020
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  641  297-0.0217( 0.00-0.05-0.02)     0.00-1322.65  0.95 -1316.14 2.75681 39: 0
  642  299-0.0285(-0.01-0.05-0.02)     0.00-1322.66  0.95 -1316.12 2.75690 39: 0
  643  300-0.0330(-0.02-0.05-0.03)     0.00-1322.68  0.95 -1316.11 2.75703 39: 0
  644  301-0.0321(-0.03-0.05-0.03)     0.00-1322.71  0.95 -1316.12 2.75719 39: 0
  645  302-0.0252(-0.02-0.03-0.02)     0.00-1322.73  0.95 -1316.14 2.75733 39: 0
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.251 24.272 21.301 109.4: 1800
       0.00:   0.00:   0.00:                   89.966 89.984120.019
  646  301-0.0126(-0.01-0.01-0.02)     0.00-1322.74  0.94 -1316.15 2.75742 39: 0
  647  300 0.0006( 0.01 0.01-0.01)     0.00-1322.74  0.94 -1316.17 2.75741 39: 1
  648  299 0.0110( 0.02 0.02-0.01)     0.00-1322.72  0.94 -1316.18 2.75736 39: 1
  649  298 0.0212( 0.04 0.03-0.01)     0.00-1322.70  0.94 -1316.17 2.75728 39: 1
  650  298 0.0296( 0.06 0.04-0.02)     0.00-1322.67  0.93 -1316.16 2.75716 39: 1
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.255 24.273 21.300 109.4: 1800
       0.00:   0.00:   0.00:                   89.965 89.982120.024
  651  298 0.0338( 0.08 0.04-0.02)     0.00-1322.66  0.93 -1316.14 2.75704 39: 1
  652  299 0.0346( 0.10 0.04-0.03)     0.00-1322.65  0.93 -1316.13 2.75693 39: 1
  653  299 0.0334( 0.11 0.03-0.04)     0.00-1322.65  0.93 -1316.12 2.75683 39: 1
  654  300 0.0318( 0.11 0.02-0.04)     0.00-1322.67  0.92 -1316.12 2.75674 39: 1
  655  301 0.0303( 0.12 0.01-0.04)     0.00-1322.68  0.92 -1316.12 2.75665 39: 1
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.264 24.274 21.294 109.4: 1800
       0.00:   0.00:   0.00:                   89.970 89.984120.020
  656  301 0.0288( 0.12 0.00-0.04)     0.00-1322.70  0.92 -1316.14 2.75654 39: 1
  657  301 0.0268( 0.11-0.00-0.03)     0.00-1322.71  0.92 -1316.15 2.75641 39: 1
  658  300 0.0262( 0.10-0.01-0.01)     0.00-1322.71  0.92 -1316.16 2.75625 39: 1
  659  300 0.0253( 0.09-0.01-0.00)     0.00-1322.71  0.92 -1316.17 2.75606 39: 1
  660  299 0.0252( 0.08-0.01 0.00)     0.00-1322.70  0.92 -1316.17 2.75585 39: 1
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.273 24.273 21.289 109.4: 1800
       0.00:   0.00:   0.00:                   89.976 89.991120.003
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  661  299 0.0245( 0.07-0.00 0.01)     0.00-1322.69  0.92 -1316.17 2.75562 39: 1
  662  298 0.0236( 0.06 0.01 0.01)     0.00-1322.67  0.92 -1316.16 2.75539 39: 1
  663  298 0.0215( 0.05 0.02 0.00)     0.00-1322.65  0.92 -1316.15 2.75518 39: 1
  664  298 0.0192( 0.04 0.03-0.01)     0.00-1322.64  0.92 -1316.14 2.75504 39: 1
  665  299 0.0177( 0.03 0.04-0.02)     0.00-1322.65  0.91 -1316.13 2.75494 39: 1
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.279 24.277 21.285 109.4: 1800
       0.00:   0.00:   0.00:                   89.982 89.999119.991
  666  300 0.0138( 0.03 0.05-0.03)     0.00-1322.66  0.91 -1316.12 2.75491 39: 1
  667  301 0.0102( 0.02 0.05-0.04)     0.00-1322.69  0.91 -1316.13 2.75493 39: 1
  668  303 0.0063( 0.01 0.06-0.05)     0.00-1322.73  0.91 -1316.15 2.75500 39: 1
  669  303 0.0034( 0.00 0.06-0.06)     0.00-1322.78  0.91 -1316.18 2.75508 39: 1
  670  303 0.0019(-0.00 0.06-0.06)     0.00-1322.81  0.91 -1316.22 2.75515 39: 1
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.281 24.285 21.276 109.4: 1800
       0.00:   0.00:   0.00:                   89.986 90.004120.000
  671  303 0.0016(-0.01 0.07-0.06)     0.00-1322.84  0.91 -1316.25 2.75521 39: 1
  672  302 0.0045(-0.00 0.07-0.05)     0.00-1322.85  0.91 -1316.28 2.75522 39: 1
  673  300 0.0095( 0.00 0.06-0.04)     0.00-1322.83  0.91 -1316.30 2.75517 39: 1
  674  298 0.0133( 0.01 0.05-0.02)     0.00-1322.81  0.91 -1316.30 2.75506 39: 1
  675  297 0.0148( 0.01 0.04-0.01)     0.00-1322.76  0.92 -1316.29 2.75493 39: 1
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.284 24.292 21.272 109.4: 1800
       0.00:   0.00:   0.00:                   89.987 90.003120.010
  676  296 0.0136( 0.02 0.03-0.00)     0.00-1322.72  0.92 -1316.26 2.75479 39: 1
  677  296 0.0095( 0.01 0.01 0.00)     0.00-1322.68  0.92 -1316.22 2.75470 39: 1
  678  296 0.0034(-0.00 0.00 0.01)     0.00-1322.65  0.91 -1316.19 2.75467 39: 1
  679  297-0.0033(-0.02-0.01 0.01)     0.00-1322.65  0.91 -1316.16 2.75470 39: 1
  680  299-0.0117(-0.03-0.02 0.02)     0.00-1322.65  0.91 -1316.14 2.75479 39: 1
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.285 24.290 21.274 109.4: 1800
       0.00:   0.00:   0.00:                   89.991 89.994120.013
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  681  301-0.0213(-0.05-0.03 0.02)     0.00-1322.68  0.90 -1316.14 2.75495 39: 1
  682  302-0.0291(-0.07-0.05 0.03)     0.00-1322.71  0.90 -1316.15 2.75516 39: 1
  683  303-0.0347(-0.09-0.06 0.04)     0.00-1322.74  0.89 -1316.18 2.75541 39: 1
  684  303-0.0376(-0.10-0.06 0.05)     0.00-1322.78  0.89 -1316.21 2.75567 39: 1
  685  304-0.0384(-0.10-0.07 0.05)     0.00-1322.82  0.88 -1316.25 2.75593 39: 1
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.277 24.283 21.279 109.4: 1800
       0.00:   0.00:   0.00:                   89.993 89.985120.016
  686  303-0.0376(-0.10-0.07 0.05)     0.00-1322.85  0.87 -1316.29 2.75619 39: 1
  687  303-0.0361(-0.09-0.07 0.05)     0.00-1322.87  0.87 -1316.32 2.75644 39: 1
  688  303-0.0338(-0.09-0.06 0.05)     0.00-1322.89  0.86 -1316.36 2.75672 39: 1
  689  303-0.0297(-0.08-0.05 0.04)     0.00-1322.92  0.86 -1316.39 2.75701 39: 1
  690  303-0.0266(-0.07-0.04 0.03)     0.00-1322.95  0.85 -1316.42 2.75734 39: 1
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.266 24.274 21.286 109.4: 1800
       0.00:   0.00:   0.00:                   89.994 89.980120.017
  691  303-0.0234(-0.06-0.03 0.02)     0.00-1322.98  0.85 -1316.45 2.75771 39: 1
  692  304-0.0191(-0.05-0.01 0.01)     0.00-1323.02  0.85 -1316.49 2.75811 39: 1
  693  304-0.0141(-0.04-0.00 0.00)     0.00-1323.07  0.85 -1316.53 2.75853 39: 1
  694  304-0.0082(-0.03 0.01-0.00)     0.00-1323.11  0.85 -1316.57 2.75886 39: 1
  695  303-0.0115(-0.03 0.00-0.01)     0.00-1323.14  0.85 -1316.61 2.75933 39: 1
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.256 24.271 21.284 109.4: 1800
       0.00:   0.00:   0.00:                   90.002 89.980120.026
  696  303 0.0015(-0.01 0.01 0.00)     0.00-1323.17  0.85 -1316.65 2.75954 39: 1
  697  302-0.0115(-0.01-0.01-0.01)     0.00-1323.18  0.85 -1316.68 2.75997 39: 1
  698  301 0.0017( 0.01-0.01 0.00)     0.00-1323.19  0.85 -1316.70 2.76018 39: 1
  699  301-0.0098( 0.01-0.03-0.01)     0.00-1323.20  0.85 -1316.72 2.76051 39: 1
  700  300-0.0056( 0.03-0.04-0.01)     0.00-1323.21  0.85 -1316.73 2.76077 39: 1
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.254 24.265 21.280 109.4: 1800
       0.00:   0.00:   0.00:                   90.009 89.984120.027
 --------------------------------------------------------------------------------
 Avr   299 0.0071( 0.01 0.01 0.00)     0.00-1322.89  0.90 -1316.38 2.75783
 Std     2 0.0227( 0.06 0.04 0.05)     0.00    0.22  0.04     0.26 0.00263
 --------------------------------------------------------------------------------
 Temperatures: O : 293 Si: 312
 --------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  =============
 <<<=====   Quartz Vashishta potential                                   ====>>>
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  701  300-0.0102( 0.04-0.06-0.01)     0.00-1323.21  0.85 -1316.74 2.76103 39: 1
  702  300-0.0138( 0.05-0.08-0.01)     0.00-1323.22  0.85 -1316.74 2.76127 39: 1
  703  300-0.0181( 0.05-0.10-0.01)     0.00-1323.22  0.85 -1316.75 2.76150 39: 1
  704  300-0.0227( 0.06-0.11-0.01)     0.00-1323.22  0.86 -1316.75 2.76173 39: 1
  705  299-0.0249( 0.07-0.12-0.02)     0.00-1323.22  0.86 -1316.75 2.76196 39: 1
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.255 24.252 21.277 109.4: 1800
       0.00:   0.00:   0.00:                   90.013 89.985120.008
  706  299-0.0265( 0.07-0.13-0.02)     0.00-1323.22  0.86 -1316.75 2.76217 39: 1
  707  299-0.0287( 0.06-0.13-0.02)     0.00-1323.22  0.86 -1316.75 2.76237 39: 1
  708  299-0.0314( 0.06-0.13-0.03)     0.00-1323.22  0.86 -1316.75 2.76257 39: 1
  709  299-0.0330( 0.05-0.12-0.03)     0.00-1323.23  0.86 -1316.75 2.76276 39: 1
  710  299-0.0349( 0.05-0.11-0.04)     0.00-1323.23  0.87 -1316.75 2.76295 39: 1
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.257 24.237 21.274 109.4: 1800
       0.00:   0.00:   0.00:                   90.011 89.987119.980
  711  299-0.0361( 0.04-0.10-0.05)     0.00-1323.23  0.87 -1316.75 2.76315 39: 1
  712  299-0.0361( 0.04-0.09-0.06)     0.00-1323.22  0.87 -1316.75 2.76334 39: 1
  713  299-0.0353( 0.04-0.08-0.06)     0.00-1323.22  0.87 -1316.75 2.76353 39: 1
  714  299-0.0340( 0.03-0.07-0.07)     0.00-1323.21  0.87 -1316.74 2.76372 39: 1
  715  299-0.0321( 0.02-0.06-0.06)     0.00-1323.20  0.87 -1316.74 2.76395 39: 1
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.259 24.229 21.267 109.4: 1800
       0.00:   0.00:   0.00:                   90.000 89.993119.954
  716  299-0.0276( 0.01-0.04-0.05)     0.00-1323.20  0.87 -1316.73 2.76418 39: 1
  717  299-0.0243(-0.00-0.03-0.04)     0.00-1323.20  0.86 -1316.73 2.76440 39: 1
  718  299-0.0231(-0.02-0.02-0.03)     0.00-1323.20  0.86 -1316.72 2.76465 39: 1
  719  300-0.0203(-0.03-0.01-0.02)     0.00-1323.20  0.86 -1316.72 2.76491 39: 1
  720  300-0.0194(-0.05-0.00-0.01)     0.00-1323.20  0.86 -1316.72 2.76518 39: 1
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.254 24.228 21.263 109.4: 1800
       0.00:   0.00:   0.00:                   89.982 90.004119.958
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  721  300-0.0169(-0.05 0.00-0.00)     0.00-1323.20  0.86 -1316.73 2.76543 39: 1
  722  300-0.0201(-0.06 0.00-0.00)     0.00-1323.21  0.85 -1316.73 2.76573 39: 1
  723  300-0.0183(-0.07 0.01 0.00)     0.00-1323.21  0.85 -1316.74 2.76598 39: 1
  724  300-0.0245(-0.08 0.01 0.00)     0.00-1323.22  0.85 -1316.74 2.76636 39: 1
  725  301-0.0186(-0.08 0.01 0.01)     0.00-1323.24  0.85 -1316.75 2.76664 39: 1
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.243 24.230 21.267 109.4: 1800
       0.00:   0.00:   0.00:                   89.968 90.012119.989
  726  301-0.0239(-0.08 0.01-0.00)     0.00-1323.25  0.84 -1316.77 2.76701 39: 1
  727  301-0.0205(-0.07 0.01-0.00)     0.00-1323.27  0.84 -1316.78 2.76734 39: 1
  728  301-0.0215(-0.07 0.01-0.01)     0.00-1323.28  0.84 -1316.80 2.76772 39: 1
  729  301-0.0155(-0.05 0.02-0.01)     0.00-1323.30  0.84 -1316.82 2.76801 39: 1
  730  301-0.0167(-0.04 0.02-0.02)     0.00-1323.31  0.83 -1316.83 2.76836 39: 1
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.234 24.231 21.265 109.4: 1800
       0.00:   0.00:   0.00:                   89.968 90.011120.010
  731  301-0.0103(-0.03 0.02-0.02)     0.00-1323.33  0.83 -1316.85 2.76861 39: 1
  732  301-0.0129(-0.02 0.02-0.03)     0.00-1323.34  0.83 -1316.87 2.76890 39: 1
  733  301-0.0080(-0.01 0.02-0.03)     0.00-1323.35  0.83 -1316.88 2.76915 39: 1
  734  301-0.0065(-0.01 0.01-0.02)     0.00-1323.35  0.83 -1316.89 2.76937 39: 1
  735  300-0.0060(-0.00-0.00-0.01)     0.00-1323.36  0.83 -1316.90 2.76956 39: 1
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.231 24.232 21.257 109.4: 1800
       0.00:   0.00:   0.00:                   89.980 90.009120.010
  736  300-0.0094(-0.00-0.02-0.01)     0.00-1323.36  0.82 -1316.91 2.76978 39: 1
  737  300-0.0107(-0.00-0.03 0.00)     0.00-1323.37  0.82 -1316.92 2.76999 39: 1
  738  300-0.0140(-0.00-0.04 0.01)     0.00-1323.37  0.82 -1316.92 2.77021 39: 1
  739  300-0.0165(-0.00-0.06 0.01)     0.00-1323.38  0.82 -1316.93 2.77046 39: 1
  740  300-0.0162(-0.00-0.07 0.02)     0.00-1323.38  0.82 -1316.94 2.77070 39: 1
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.226 24.224 21.255 109.4: 1800
       0.00:   0.00:   0.00:                   89.987 90.015119.988
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  741  300-0.0163(-0.00-0.08 0.03)     0.00-1323.38  0.82 -1316.94 2.77094 39: 1
  742  299-0.0149( 0.00-0.08 0.03)     0.00-1323.38  0.82 -1316.94 2.77115 39: 1
  743  299-0.0165( 0.00-0.09 0.04)     0.00-1323.37  0.82 -1316.94 2.77138 39: 1
  744  299-0.0155( 0.00-0.09 0.04)     0.00-1323.36  0.82 -1316.94 2.77158 39: 1
  745  299-0.0184(-0.00-0.09 0.04)     0.00-1323.36  0.82 -1316.93 2.77180 39: 1
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.221 24.212 21.258 109.4: 1800
       0.00:   0.00:   0.00:                   89.987 90.024119.971
  746  299-0.0197(-0.00-0.09 0.04)     0.00-1323.36  0.82 -1316.93 2.77204 39: 1
  747  300-0.0198(-0.01-0.08 0.03)     0.00-1323.37  0.82 -1316.93 2.77230 39: 1
  748  301-0.0196(-0.01-0.07 0.03)     0.00-1323.39  0.82 -1316.93 2.77255 39: 1
  749  301-0.0181(-0.02-0.06 0.03)     0.00-1323.40  0.82 -1316.95 2.77278 39: 1
  750  301-0.0154(-0.02-0.05 0.03)     0.00-1323.42  0.82 -1316.96 2.77296 39: 1
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.216 24.203 21.261 109.4: 1800
       0.00:   0.00:   0.00:                   89.981 90.037119.965
  751  301-0.0139(-0.03-0.05 0.03)     0.00-1323.43  0.81 -1316.98 2.77309 39: 1
  752  300-0.0111(-0.03-0.04 0.04)     0.00-1323.42  0.81 -1316.99 2.77318 39: 2
  753  299-0.0086(-0.03-0.03 0.04)     0.00-1323.41  0.81 -1316.99 2.77322 39: 2
  754  299-0.0079(-0.04-0.03 0.04)     0.00-1323.39  0.81 -1316.99 2.77324 39: 2
  755  298-0.0093(-0.04-0.03 0.04)     0.00-1323.38  0.81 -1316.98 2.77326 39: 2
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.211 24.199 21.266 109.4: 1800
       0.00:   0.00:   0.00:                   89.977 90.042119.964
  756  298-0.0131(-0.05-0.03 0.03)     0.00-1323.37  0.81 -1316.97 2.77329 39: 2
  757  299-0.0182(-0.05-0.03 0.03)     0.00-1323.38  0.82 -1316.96 2.77334 39: 2
  758  300-0.0232(-0.06-0.03 0.02)     0.00-1323.38  0.82 -1316.95 2.77340 39: 2
  759  300-0.0267(-0.05-0.04 0.01)     0.00-1323.40  0.82 -1316.95 2.77348 39: 2
  760  300-0.0269(-0.04-0.04 0.00)     0.00-1323.40  0.83 -1316.96 2.77354 39: 2
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.206 24.197 21.269 109.4: 1800
       0.00:   0.00:   0.00:                   89.975 90.038119.961
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  761  299-0.0244(-0.03-0.04-0.00)     0.00-1323.39  0.83 -1316.96 2.77356 39: 2
  762  298-0.0200(-0.02-0.04-0.01)     0.00-1323.37  0.84 -1316.95 2.77353 39: 2
  763  296-0.0146(-0.00-0.03-0.01)     0.00-1323.33  0.84 -1316.94 2.77345 39: 2
  764  295-0.0101( 0.01-0.02-0.02)     0.00-1323.29  0.85 -1316.91 2.77334 39: 2
  765  294-0.0053( 0.02-0.01-0.03)     0.00-1323.24  0.85 -1316.87 2.77322 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.207 24.195 21.270 109.4: 1800
       0.00:   0.00:   0.00:                   89.969 90.033119.952
  766  294-0.0020( 0.02 0.00-0.03)     0.00-1323.19  0.86 -1316.82 2.77311 39: 2
  767  295 0.0009( 0.02 0.01-0.03)     0.00-1323.16  0.86 -1316.77 2.77300 39: 2
  768  296 0.0010( 0.01 0.03-0.04)     0.00-1323.14  0.87 -1316.73 2.77293 39: 2
  769  297 0.0012(-0.00 0.04-0.03)     0.00-1323.13  0.87 -1316.69 2.77289 39: 2
  770  298 0.0027(-0.02 0.05-0.02)     0.00-1323.14  0.87 -1316.67 2.77287 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.209 24.199 21.268 109.4: 1800
       0.00:   0.00:   0.00:                   89.966 90.032119.954
  771  299 0.0062(-0.04 0.07-0.00)     0.00-1323.15  0.88 -1316.66 2.77284 39: 2
  772  300 0.0119(-0.06 0.08 0.02)     0.00-1323.16  0.88 -1316.66 2.77280 39: 2
  773  299 0.0189(-0.07 0.09 0.04)     0.00-1323.16  0.89 -1316.66 2.77271 39: 2
  774  299 0.0261(-0.08 0.11 0.05)     0.00-1323.16  0.89 -1316.66 2.77258 39: 2
  775  299 0.0321(-0.08 0.12 0.06)     0.00-1323.15  0.89 -1316.66 2.77240 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.205 24.209 21.271 109.4: 1800
       0.00:   0.00:   0.00:                   89.966 90.032119.978
  776  298 0.0355(-0.08 0.12 0.06)     0.00-1323.13  0.89 -1316.65 2.77218 39: 2
  777  298 0.0355(-0.07 0.13 0.05)     0.00-1323.12  0.89 -1316.64 2.77193 39: 2
  778  298 0.0340(-0.06 0.12 0.04)     0.00-1323.11  0.90 -1316.63 2.77164 39: 2
  779  298 0.0289(-0.04 0.11 0.02)     0.00-1323.10  0.90 -1316.62 2.77134 39: 2
  780  299 0.0245(-0.02 0.09 0.00)     0.00-1323.10  0.90 -1316.61 2.77102 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.204 24.226 21.275 109.4: 1800
       0.00:   0.00:   0.00:                   89.967 90.031120.008
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  781  298 0.0204(-0.01 0.07-0.00)     0.00-1323.08  0.90 -1316.60 2.77072 39: 2
  782  298 0.0206( 0.01 0.05-0.00)     0.00-1323.07  0.89 -1316.59 2.77036 39: 2
  783  298 0.0177( 0.01 0.04 0.00)     0.00-1323.05  0.89 -1316.57 2.77003 39: 2
  784  298 0.0207( 0.02 0.03 0.01)     0.00-1323.03  0.89 -1316.56 2.76965 39: 2
  785  297 0.0196( 0.02 0.01 0.02)     0.00-1323.01  0.89 -1316.54 2.76927 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.209 24.234 21.278 109.4: 1800
       0.00:   0.00:   0.00:                   89.969 90.022120.013
  786  297 0.0206( 0.03 0.01 0.03)     0.00-1322.98  0.89 -1316.52 2.76887 39: 2
  787  297 0.0196( 0.03 0.00 0.03)     0.00-1322.96  0.89 -1316.50 2.76852 39: 2
  788  297 0.0229( 0.04 0.00 0.03)     0.00-1322.94  0.89 -1316.48 2.76818 39: 2
  789  298 0.0248( 0.05 0.00 0.03)     0.00-1322.93  0.89 -1316.46 2.76783 39: 2
  790  298 0.0235( 0.05 0.01 0.01)     0.00-1322.93  0.89 -1316.44 2.76751 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.215 24.235 21.283 109.4: 1800
       0.00:   0.00:   0.00:                   89.972 90.012120.000
  791  299 0.0234( 0.06 0.01-0.01)     0.00-1322.93  0.89 -1316.43 2.76721 39: 2
  792  299 0.0252( 0.08 0.02-0.02)     0.00-1322.93  0.89 -1316.43 2.76692 39: 2
  793  300 0.0272( 0.09 0.03-0.04)     0.00-1322.94  0.90 -1316.43 2.76663 39: 2
  794  300 0.0309( 0.11 0.04-0.05)     0.00-1322.94  0.90 -1316.43 2.76633 39: 2
  795  300 0.0357( 0.12 0.05-0.06)     0.00-1322.94  0.90 -1316.43 2.76601 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.226 24.238 21.279 109.4: 1800
       0.00:   0.00:   0.00:                   89.976 90.004119.987
  796  299 0.0402( 0.13 0.06-0.07)     0.00-1322.94  0.89 -1316.43 2.76566 39: 2
  797  299 0.0437( 0.14 0.06-0.07)     0.00-1322.93  0.89 -1316.43 2.76529 39: 2
  798  299 0.0454( 0.14 0.07-0.07)     0.00-1322.93  0.89 -1316.43 2.76490 39: 2
  799  299 0.0458( 0.14 0.07-0.07)     0.00-1322.92  0.89 -1316.43 2.76448 39: 2
  800  299 0.0431( 0.12 0.07-0.07)     0.00-1322.92  0.89 -1316.42 2.76405 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.241 24.246 21.273 109.4: 1800
       0.00:   0.00:   0.00:                   89.975 90.000119.980
 --------------------------------------------------------------------------------
 Avr   299-0.0042( 0.00-0.01-0.00)     0.00-1323.21  0.86 -1316.75 2.76881
 Std     1 0.0228( 0.05 0.06 0.03)     0.00    0.15  0.03     0.17 0.00384
 --------------------------------------------------------------------------------
 Temperatures: O : 291 Si: 316
 --------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  =============
 <<<=====   Quartz Vashishta potential                                   ====>>>
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  801  299 0.0405( 0.11 0.07-0.06)     0.00-1322.92  0.89 -1316.42 2.76360 39: 2
  802  299 0.0387( 0.09 0.07-0.05)     0.00-1322.91  0.89 -1316.42 2.76309 39: 2
  803  299 0.0322( 0.07 0.06-0.04)     0.00-1322.90  0.89 -1316.41 2.76258 39: 2
  804  298 0.0280( 0.05 0.06-0.03)     0.00-1322.88  0.89 -1316.40 2.76205 39: 2
  805  298 0.0245( 0.04 0.05-0.01)     0.00-1322.85  0.89 -1316.39 2.76153 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.255 24.258 21.270 109.4: 1800
       0.00:   0.00:   0.00:                   89.966 90.001119.983
  806  297 0.0217( 0.02 0.04 0.01)     0.00-1322.83  0.89 -1316.37 2.76107 39: 2
  807  297 0.0251( 0.01 0.04 0.02)     0.00-1322.80  0.89 -1316.35 2.76057 39: 2
  808  297 0.0219( 0.00 0.03 0.03)     0.00-1322.78  0.90 -1316.32 2.76017 39: 2
  809  297 0.0265( 0.00 0.04 0.04)     0.00-1322.77  0.90 -1316.30 2.75977 39: 2
  810  298 0.0264(-0.00 0.04 0.05)     0.00-1322.76  0.90 -1316.28 2.75946 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.258 24.267 21.277 109.4: 1800
       0.00:   0.00:   0.00:                   89.968 90.000119.992
  811  298 0.0352( 0.00 0.05 0.06)     0.00-1322.76  0.91 -1316.26 2.75910 39: 2
  812  298 0.0370( 0.00 0.05 0.06)     0.00-1322.76  0.92 -1316.25 2.75875 39: 2
  813  298 0.0407( 0.01 0.06 0.06)     0.00-1322.75  0.92 -1316.24 2.75838 39: 2
  814  298 0.0431( 0.01 0.07 0.05)     0.00-1322.74  0.93 -1316.23 2.75798 39: 2
  815  298 0.0459( 0.02 0.08 0.04)     0.00-1322.72  0.94 -1316.21 2.75756 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.261 24.277 21.284 109.4: 1800
       0.00:   0.00:   0.00:                   89.970 90.003120.007
  816  297 0.0472( 0.03 0.09 0.03)     0.00-1322.71  0.94 -1316.19 2.75712 39: 2
  817  297 0.0474( 0.04 0.09 0.01)     0.00-1322.69  0.95 -1316.17 2.75668 39: 2
  818  297 0.0469( 0.04 0.10 0.00)     0.00-1322.68  0.95 -1316.15 2.75623 39: 2
  819  298 0.0455( 0.04 0.10-0.00)     0.00-1322.67  0.96 -1316.13 2.75584 39: 2
  820  299 0.0483( 0.05 0.10-0.00)     0.00-1322.68  0.96 -1316.12 2.75543 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.268 24.290 21.285 109.4: 1800
       0.00:   0.00:   0.00:                   89.967 90.008120.019
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  821  300 0.0477( 0.04 0.10-0.00)     0.00-1322.69  0.96 -1316.11 2.75494 39: 2
  822  300 0.0385( 0.03 0.09-0.00)     0.00-1322.71  0.97 -1316.11 2.75450 39: 2
  823  301 0.0365( 0.02 0.08 0.01)     0.00-1322.72  0.97 -1316.12 2.75406 39: 2
  824  301 0.0356( 0.01 0.08 0.01)     0.00-1322.74  0.97 -1316.13 2.75359 39: 2
  825  301 0.0352( 0.00 0.08 0.02)     0.00-1322.75  0.96 -1316.14 2.75311 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.275 24.304 21.286 109.4: 1800
       0.00:   0.00:   0.00:                   89.969 90.003120.024
  826  300 0.0349(-0.00 0.08 0.03)     0.00-1322.75  0.96 -1316.16 2.75270 39: 2
  827  300 0.0440(-0.00 0.09 0.04)     0.00-1322.75  0.96 -1316.16 2.75224 39: 2
  828  300 0.0461(-0.00 0.10 0.04)     0.00-1322.75  0.96 -1316.17 2.75183 39: 2
  829  300 0.0534( 0.01 0.11 0.04)     0.00-1322.75  0.95 -1316.18 2.75138 39: 2
  830  301 0.0534( 0.01 0.12 0.03)     0.00-1322.76  0.94 -1316.18 2.75095 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.279 24.315 21.291 109.4: 1800
       0.00:   0.00:   0.00:                   89.978 89.990120.033
  831  301 0.0526( 0.02 0.12 0.02)     0.00-1322.78  0.94 -1316.19 2.75055 39: 2
  832  302 0.0515( 0.02 0.12 0.01)     0.00-1322.79  0.93 -1316.21 2.75015 39: 2
  833  302 0.0481( 0.03 0.11 0.00)     0.00-1322.82  0.92 -1316.23 2.74979 39: 2
  834  303 0.0444( 0.03 0.11-0.00)     0.00-1322.84  0.91 -1316.26 2.74949 39: 2
  835  303 0.0441( 0.04 0.10-0.01)     0.00-1322.88  0.91 -1316.29 2.74922 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.286 24.325 21.292 109.4: 1800
       0.00:   0.00:   0.00:                   89.990 89.972120.045
  836  304 0.0430( 0.04 0.10-0.01)     0.00-1322.91  0.90 -1316.32 2.74896 39: 2
  837  304 0.0395( 0.03 0.09-0.01)     0.00-1322.95  0.89 -1316.36 2.74873 39: 2
  838  304 0.0348( 0.03 0.08-0.01)     0.00-1322.98  0.89 -1316.40 2.74850 39: 2
  839  303 0.0284( 0.02 0.06-0.00)     0.00-1323.00  0.88 -1316.44 2.74830 39: 2
  840  302 0.0229( 0.02 0.05 0.00)     0.00-1323.02  0.88 -1316.47 2.74813 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.293 24.331 21.290 109.4: 1800
       0.00:   0.00:   0.00:                   90.005 89.955120.051
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  841  301 0.0197( 0.02 0.03 0.01)     0.00-1323.03  0.88 -1316.50 2.74797 39: 2
  842  301 0.0151( 0.01 0.01 0.02)     0.00-1323.02  0.87 -1316.52 2.74783 39: 2
  843  300 0.0099( 0.01-0.01 0.02)     0.00-1323.02  0.87 -1316.53 2.74773 39: 2
  844  299 0.0063( 0.01-0.02 0.03)     0.00-1323.01  0.87 -1316.53 2.74766 39: 2
  845  299 0.0020( 0.02-0.04 0.03)     0.00-1323.01  0.87 -1316.53 2.74762 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.294 24.330 21.292 109.4: 1800
       0.00:   0.00:   0.00:                   90.015 89.951120.041
  846  299-0.0022( 0.02-0.06 0.03)     0.00-1323.01  0.88 -1316.52 2.74762 39: 2
  847  299-0.0061( 0.03-0.07 0.03)     0.00-1323.01  0.88 -1316.52 2.74765 39: 2
  848  300-0.0090( 0.03-0.08 0.02)     0.00-1323.01  0.88 -1316.52 2.74771 39: 2
  849  300-0.0108( 0.04-0.08 0.01)     0.00-1323.02  0.88 -1316.52 2.74779 39: 2
  850  299-0.0113( 0.04-0.08 0.01)     0.00-1323.01  0.88 -1316.53 2.74789 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.294 24.323 21.293 109.4: 1800
       0.00:   0.00:   0.00:                   90.013 89.958120.025
  851  299-0.0110( 0.03-0.06-0.01)     0.00-1323.00  0.88 -1316.52 2.74799 39: 2
  852  299-0.0109( 0.03-0.04-0.02)     0.00-1322.99  0.87 -1316.52 2.74811 39: 2
  853  298-0.0119( 0.02-0.02-0.03)     0.00-1322.97  0.87 -1316.51 2.74826 39: 2
  854  298-0.0138( 0.00-0.00-0.05)     0.00-1322.95  0.87 -1316.50 2.74843 39: 2
  855  298-0.0167(-0.01 0.01-0.05)     0.00-1322.93  0.87 -1316.48 2.74860 39: 2
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.294 24.321 21.289 109.4: 1800
       0.00:   0.00:   0.00:                   90.007 89.967120.022
  856  298-0.0244(-0.02 0.02-0.07)     0.00-1322.92  0.87 -1316.47 2.74883 39: 2
  857  298-0.0324(-0.03 0.01-0.08)     0.00-1322.90  0.86 -1316.45 2.74912 39: 2
  858  298-0.0389(-0.04 0.01-0.08)     0.00-1322.89  0.86 -1316.44 2.74946 39: 3
  859  299-0.0458(-0.05-0.00-0.08)     0.00-1322.89  0.86 -1316.43 2.74986 39: 3
  860  299-0.0529(-0.06-0.02-0.08)     0.00-1322.89  0.86 -1316.43 2.75033 39: 3
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.290 24.321 21.281 109.4: 1800
       0.00:   0.00:   0.00:                   90.003 89.972120.032
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  861  300-0.0597(-0.07-0.04-0.07)     0.00-1322.90  0.86 -1316.43 2.75085 39: 3
  862  301-0.0659(-0.08-0.05-0.07)     0.00-1322.93  0.85 -1316.43 2.75143 39: 3
  863  302-0.0706(-0.09-0.07-0.06)     0.00-1322.95  0.85 -1316.45 2.75205 39: 3
  864  302-0.0735(-0.09-0.08-0.05)     0.00-1322.98  0.85 -1316.47 2.75270 39: 3
  865  303-0.0747(-0.10-0.08-0.04)     0.00-1323.02  0.85 -1316.50 2.75336 39: 3
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.280 24.313 21.274 109.4: 1800
       0.00:   0.00:   0.00:                   90.004 89.972120.037
  866  302-0.0748(-0.10-0.08-0.04)     0.00-1323.04  0.85 -1316.53 2.75401 39: 3
  867  302-0.0735(-0.11-0.09-0.03)     0.00-1323.07  0.85 -1316.56 2.75464 39: 3
  868  302-0.0714(-0.11-0.09-0.02)     0.00-1323.08  0.85 -1316.58 2.75528 39: 3
  869  301-0.0659(-0.10-0.09-0.01)     0.00-1323.09  0.85 -1316.60 2.75589 39: 3
  870  300-0.0613(-0.09-0.09 0.00)     0.00-1323.09  0.85 -1316.61 2.75642 39: 3
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.268 24.300 21.272 109.4: 1800
       0.00:   0.00:   0.00:                   90.009 89.966120.037
  871  299-0.0636(-0.09-0.10 0.01)     0.00-1323.08  0.85 -1316.62 2.75695 39: 3
  872  299-0.0669(-0.10-0.11 0.01)     0.00-1323.07  0.86 -1316.62 2.75751 39: 3
  873  298-0.0690(-0.10-0.12 0.01)     0.00-1323.06  0.86 -1316.61 2.75808 39: 3
  874  298-0.0716(-0.11-0.12 0.01)     0.00-1323.06  0.87 -1316.60 2.75869 39: 3
  875  299-0.0743(-0.12-0.12 0.01)     0.00-1323.06  0.87 -1316.59 2.75935 39: 3
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.255 24.285 21.273 109.4: 1800
       0.00:   0.00:   0.00:                   90.014 89.959120.034
  876  299-0.0726(-0.13-0.10 0.01)     0.00-1323.07  0.88 -1316.58 2.76005 39: 3
  877  299-0.0687(-0.13-0.09 0.01)     0.00-1323.07  0.89 -1316.58 2.76075 39: 3
  878  299-0.0626(-0.13-0.07 0.01)     0.00-1323.07  0.89 -1316.58 2.76151 39: 3
  879  298-0.0471(-0.11-0.04 0.01)     0.00-1323.06  0.90 -1316.57 2.76212 39: 3
  880  298-0.0424(-0.10-0.03-0.00)     0.00-1323.04  0.90 -1316.57 2.76270 39: 3
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.240 24.273 21.274 109.4: 1800
       0.00:   0.00:   0.00:                   90.019 89.952120.045
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  881  297-0.0360(-0.08-0.02-0.01)     0.00-1323.01  0.91 -1316.55 2.76322 39: 3
  882  296-0.0332(-0.07-0.01-0.02)     0.00-1322.98  0.91 -1316.52 2.76370 39: 3
  883  296-0.0328(-0.05-0.02-0.03)     0.00-1322.95  0.91 -1316.49 2.76413 39: 3
  884  297-0.0398(-0.05-0.03-0.04)     0.00-1322.93  0.91 -1316.46 2.76460 39: 3
  885  298-0.0460(-0.04-0.04-0.06)     0.00-1322.92  0.91 -1316.44 2.76510 39: 3
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.231 24.268 21.271 109.4: 1800
       0.00:   0.00:   0.00:                   90.014 89.950120.059
  886  299-0.0541(-0.04-0.06-0.07)     0.00-1322.94  0.91 -1316.42 2.76564 39: 3
  887  301-0.0611(-0.03-0.08-0.08)     0.00-1322.96  0.91 -1316.42 2.76622 39: 3
  888  302-0.0657(-0.02-0.09-0.09)     0.00-1323.00  0.90 -1316.44 2.76681 39: 3
  889  303-0.0680(-0.00-0.11-0.09)     0.00-1323.04  0.90 -1316.46 2.76740 39: 3
  890  303-0.0669( 0.01-0.12-0.09)     0.00-1323.06  0.90 -1316.49 2.76795 39: 3
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.227 24.255 21.262 109.4: 1800
       0.00:   0.00:   0.00:                   90.007 89.951120.051
  891  302-0.0632( 0.02-0.13-0.09)     0.00-1323.08  0.90 -1316.52 2.76845 39: 3
  892  301-0.0583( 0.03-0.13-0.08)     0.00-1323.08  0.89 -1316.55 2.76890 39: 3
  893  300-0.0535( 0.03-0.13-0.07)     0.00-1323.07  0.89 -1316.56 2.76934 39: 3
  894  299-0.0457( 0.03-0.12-0.05)     0.00-1323.06  0.89 -1316.56 2.76978 39: 3
  895  298-0.0368( 0.02-0.10-0.03)     0.00-1323.04  0.89 -1316.56 2.77020 39: 3
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.225 24.240 21.255 109.4: 1800
       0.00:   0.00:   0.00:                   90.003 89.957120.030
  896  299-0.0327( 0.00-0.09-0.01)     0.00-1323.03  0.89 -1316.55 2.77064 39: 3
  897  299-0.0309(-0.02-0.08 0.00)     0.00-1323.03  0.88 -1316.54 2.77106 39: 3
  898  300-0.0395(-0.04-0.08 0.00)     0.00-1323.04  0.88 -1316.54 2.77153 39: 3
  899  302-0.0493(-0.06-0.10 0.00)     0.00-1323.08  0.88 -1316.55 2.77205 39: 3
  900  303-0.0605(-0.07-0.11 0.00)     0.00-1323.12  0.87 -1316.57 2.77267 39: 3
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.216 24.227 21.253 109.4: 1800
       0.00:   0.00:   0.00:                   90.001 89.966120.019
 --------------------------------------------------------------------------------
 Avr   300-0.0099(-0.01-0.01-0.01)     0.00-1322.93  0.90 -1316.41 2.75668
 Std     1 0.0452( 0.05 0.08 0.04)     0.00    0.13  0.03     0.15 0.00732
 --------------------------------------------------------------------------------
 Temperatures: O : 293 Si: 312
 --------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  =============
 <<<=====   Quartz Vashishta potential                                   ====>>>
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  901  304-0.0657(-0.09-0.12 0.01)     0.00-1323.18  0.87 -1316.61 2.77330 39: 3
  902  305-0.0728(-0.10-0.13 0.01)     0.00-1323.24  0.86 -1316.66 2.77401 39: 3
  903  306-0.0706(-0.10-0.12 0.01)     0.00-1323.30  0.86 -1316.72 2.77472 39: 3
  904  306-0.0653(-0.09-0.11 0.01)     0.00-1323.36  0.85 -1316.78 2.77542 39: 3
  905  305-0.0548(-0.08-0.10 0.01)     0.00-1323.40  0.84 -1316.84 2.77607 39: 3
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.203 24.211 21.253 109.4: 1800
       0.00:   0.00:   0.00:                   90.004 89.971120.019
  906  304-0.0447(-0.06-0.08 0.01)     0.00-1323.43  0.84 -1316.89 2.77671 39: 3
  907  303-0.0307(-0.04-0.06 0.01)     0.00-1323.46  0.83 -1316.94 2.77725 39: 3
  908  302-0.0232(-0.02-0.05 0.00)     0.00-1323.47  0.83 -1316.97 2.77773 39: 3
  909  302-0.0189(-0.01-0.04-0.01)     0.00-1323.48  0.83 -1317.00 2.77812 39: 3
  910  301-0.0216(-0.01-0.04-0.01)     0.00-1323.48  0.82 -1317.02 2.77845 39: 3
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.196 24.200 21.252 109.4: 1800
       0.00:   0.00:   0.00:                   90.004 89.973120.023
  911  300-0.0286(-0.02-0.05-0.02)     0.00-1323.48  0.82 -1317.03 2.77879 39: 3
  912  300-0.0330(-0.03-0.05-0.02)     0.00-1323.48  0.82 -1317.04 2.77911 39: 3
  913  299-0.0377(-0.04-0.06-0.02)     0.00-1323.47  0.82 -1317.04 2.77945 39: 3
  914  299-0.0381(-0.05-0.05-0.01)     0.00-1323.46  0.82 -1317.04 2.77981 39: 3
  915  298-0.0346(-0.06-0.04-0.01)     0.00-1323.45  0.83 -1317.03 2.78015 39: 3
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.190 24.192 21.251 109.4: 1800
       0.00:   0.00:   0.00:                   90.003 89.970120.023
  916  298-0.0314(-0.06-0.03 0.00)     0.00-1323.43  0.83 -1317.02 2.78045 39: 3
  917  298-0.0307(-0.07-0.02 0.00)     0.00-1323.42  0.83 -1317.01 2.78074 39: 3
  918  298-0.0286(-0.08-0.02 0.01)     0.00-1323.41  0.84 -1316.99 2.78101 39: 3
  919  298-0.0251(-0.08-0.02 0.02)     0.00-1323.40  0.84 -1316.98 2.78128 39: 3
  920  297-0.0182(-0.06-0.01 0.02)     0.00-1323.38  0.85 -1316.96 2.78150 39: 3
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.182 24.188 21.252 109.4: 1800
       0.00:   0.00:   0.00:                   90.004 89.970120.031
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  921  297-0.0113(-0.05-0.01 0.03)     0.00-1323.36  0.85 -1316.94 2.78167 39: 3
  922  297-0.0055(-0.03-0.01 0.03)     0.00-1323.35  0.86 -1316.92 2.78178 39: 3
  923  298-0.0024(-0.02-0.02 0.03)     0.00-1323.34  0.86 -1316.90 2.78187 39: 3
  924  298 0.0015( 0.00-0.02 0.03)     0.00-1323.33  0.87 -1316.88 2.78191 39: 3
  925  298 0.0046( 0.01-0.02 0.02)     0.00-1323.33  0.87 -1316.87 2.78191 39: 3
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.179 24.186 21.253 109.4: 1800
       0.00:   0.00:   0.00:                   90.005 89.975120.030
  926  299 0.0076( 0.02-0.02 0.02)     0.00-1323.32  0.87 -1316.86 2.78186 39: 3
  927  299 0.0115( 0.03-0.02 0.03)     0.00-1323.32  0.87 -1316.85 2.78176 39: 3
  928  298 0.0161( 0.04-0.02 0.03)     0.00-1323.31  0.87 -1316.84 2.78160 39: 3
  929  298 0.0211( 0.04-0.01 0.03)     0.00-1323.29  0.88 -1316.83 2.78139 39: 3
  930  298 0.0261( 0.04 0.00 0.03)     0.00-1323.27  0.88 -1316.82 2.78110 39: 3
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.181 24.186 21.255 109.4: 1800
       0.00:   0.00:   0.00:                   90.008 89.978120.016
  931  297 0.0291( 0.05 0.01 0.03)     0.00-1323.25  0.88 -1316.80 2.78076 39: 3
  932  297 0.0313( 0.05 0.01 0.04)     0.00-1323.22  0.88 -1316.78 2.78036 39: 3
  933  297 0.0330( 0.05 0.01 0.04)     0.00-1323.20  0.88 -1316.75 2.77992 39: 3
  934  297 0.0343( 0.06 0.01 0.04)     0.00-1323.17  0.88 -1316.73 2.77944 39: 3
  935  297 0.0361( 0.07 0.00 0.04)     0.00-1323.15  0.88 -1316.70 2.77892 39: 3
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.187 24.190 21.260 109.4: 1800
       0.00:   0.00:   0.00:                   90.004 89.978120.003
  936  297 0.0381( 0.08-0.00 0.04)     0.00-1323.12  0.88 -1316.68 2.77836 39: 3
  937  296 0.0409( 0.09-0.01 0.04)     0.00-1323.09  0.89 -1316.65 2.77778 39: 3
  938  296 0.0445( 0.10-0.01 0.04)     0.00-1323.06  0.89 -1316.62 2.77718 39: 3
  939  297 0.0495( 0.12-0.01 0.04)     0.00-1323.04  0.89 -1316.59 2.77656 39: 3
  940  297 0.0552( 0.13-0.01 0.04)     0.00-1323.01  0.89 -1316.56 2.77592 39: 3
 Msd:  0.03:O  0.01:S  0.00:   0.00:   0.00:   24.197 24.193 21.267 109.4: 1800
       0.00:   0.00:   0.00:                   89.993 89.981119.985
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  941  297 0.0619( 0.14 0.00 0.05)     0.00-1322.99  0.89 -1316.54 2.77526 39: 3
  942  297 0.0692( 0.14 0.02 0.05)     0.00-1322.97  0.89 -1316.51 2.77460 39: 3
  943  297 0.0764( 0.15 0.03 0.05)     0.00-1322.95  0.89 -1316.49 2.77391 39: 3
  944  297 0.0840( 0.15 0.05 0.05)     0.00-1322.93  0.89 -1316.47 2.77321 39: 3
  945  297 0.0909( 0.15 0.07 0.06)     0.00-1322.91  0.89 -1316.45 2.77249 39: 3
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.211 24.200 21.273 109.4: 1800
       0.00:   0.00:   0.00:                   89.986 89.989119.971
  946  298 0.0964( 0.14 0.09 0.06)     0.00-1322.90  0.89 -1316.43 2.77177 39: 3
  947  298 0.1007( 0.14 0.10 0.07)     0.00-1322.89  0.89 -1316.41 2.77104 39: 3
  948  298 0.1035( 0.13 0.11 0.07)     0.00-1322.88  0.89 -1316.39 2.77032 39: 3
  949  299 0.1051( 0.13 0.11 0.08)     0.00-1322.88  0.89 -1316.38 2.76960 39: 3
  950  299 0.1063( 0.13 0.11 0.08)     0.00-1322.88  0.89 -1316.38 2.76886 39: 3
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.224 24.212 21.278 109.4: 1800
       0.00:   0.00:   0.00:                   89.988 90.000119.968
  951  300 0.1037( 0.13 0.10 0.08)     0.00-1322.89  0.89 -1316.38 2.76805 39: 3
  952  300 0.0920( 0.12 0.09 0.07)     0.00-1322.89  0.89 -1316.38 2.76726 39: 3
  953  300 0.0826( 0.11 0.07 0.06)     0.00-1322.90  0.88 -1316.39 2.76648 39: 3
  954  300 0.0739( 0.11 0.06 0.06)     0.00-1322.91  0.88 -1316.40 2.76570 39: 3
  955  301 0.0653( 0.10 0.05 0.04)     0.00-1322.91  0.88 -1316.40 2.76495 39: 3
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.240 24.224 21.282 109.4: 1800
       0.00:   0.00:   0.00:                   90.000 90.015119.962
  956  301 0.0564( 0.09 0.05 0.03)     0.00-1322.92  0.87 -1316.41 2.76422 39: 3
  957  301 0.0474( 0.07 0.05 0.02)     0.00-1322.94  0.87 -1316.43 2.76353 39: 3
  958  302 0.0389( 0.06 0.04 0.01)     0.00-1322.96  0.86 -1316.44 2.76288 39: 3
  959  302 0.0303( 0.05 0.04 0.00)     0.00-1322.99  0.86 -1316.47 2.76229 39: 3
  960  303 0.0238( 0.05 0.03-0.00)     0.00-1323.02  0.85 -1316.49 2.76177 39: 3
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.260 24.235 21.280 109.4: 1800
       0.00:   0.00:   0.00:                   90.015 90.020119.963
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  961  303 0.0209( 0.04 0.02-0.01)     0.00-1323.06  0.85 -1316.53 2.76121 39: 3
  962  304 0.0112( 0.04 0.01-0.01)     0.00-1323.10  0.84 -1316.56 2.76088 39: 3
  963  303 0.0270( 0.05 0.03 0.01)     0.00-1323.13  0.84 -1316.60 2.76001 39: 4
  964  303-0.0184( 0.01-0.02-0.05)     0.00-1323.15  0.84 -1316.64 2.76053 39: 4
  965  302 0.0960( 0.12 0.09 0.08)     0.00-1323.16  0.84 -1316.67 2.75790 39: 4
 Msd:  0.02:O  0.02:S  0.00:   0.00:   0.00:   24.281 24.243 21.283 109.4: 1800
       0.00:   0.00:   0.00:                   90.013 90.012119.960
  966  301-0.1469(-0.11-0.14-0.18)     0.00-1323.15  0.83 -1316.68 2.76119 39: 4
  967  300 0.2850( 0.30 0.27 0.28)     0.00-1323.15  0.83 -1316.70 2.75542 39: 4
  968  299-0.3131(-0.27-0.30-0.37)     0.00-1323.12  0.83 -1316.69 2.76069 39: 4
  969  298 0.3401( 0.35 0.33 0.34)     0.00-1323.11  0.83 -1316.69 2.75552 39: 4
  970  298-0.1962(-0.16-0.18-0.25)     0.00-1323.09  0.82 -1316.68 2.75791 39: 4
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.286 24.243 21.277 109.4: 1800
       0.00:   0.00:   0.00:                   90.009 90.006119.954
  971  299 0.1213( 0.14 0.13 0.09)     0.00-1323.09  0.82 -1316.67 2.75644 39: 4
  972  299-0.0051( 0.02 0.02-0.05)     0.00-1323.09  0.82 -1316.66 2.75634 39: 4
  973  300 0.0197( 0.04 0.04-0.03)     0.00-1323.10  0.82 -1316.66 2.75595 39: 4
  974  301 0.0081( 0.03 0.04-0.05)     0.00-1323.11  0.81 -1316.67 2.75567 39: 4
  975  301 0.0067( 0.03 0.04-0.05)     0.00-1323.13  0.81 -1316.68 2.75542 39: 4
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.296 24.254 21.277 109.4: 1800
       0.00:   0.00:   0.00:                   90.002 90.005119.950
  976  301 0.0079( 0.04 0.04-0.05)     0.00-1323.15  0.81 -1316.69 2.75519 39: 4
  977  301 0.0132( 0.05 0.04-0.05)     0.00-1323.15  0.80 -1316.71 2.75493 39: 4
  978  300 0.0169( 0.05 0.04-0.04)     0.00-1323.15  0.80 -1316.72 2.75467 39: 4
  979  300 0.0205( 0.05 0.05-0.03)     0.00-1323.15  0.80 -1316.73 2.75440 39: 4
  980  299 0.0238( 0.05 0.05-0.02)     0.00-1323.13  0.80 -1316.73 2.75407 39: 4
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.303 24.262 21.273 109.4: 1800
       0.00:   0.00:   0.00:                   89.997 90.009119.944
 ==  Quartz Vashishta potential                                  (END=    1000) 
 +   00K --------------------------------------------------------------- HOUR=13
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  981  299 0.0194( 0.03 0.04-0.01)     0.00-1323.12  0.80 -1316.72 2.75376 39: 4
  982  299 0.0138( 0.02 0.02 0.00)     0.00-1323.11  0.80 -1316.71 2.75352 39: 4
  983  299 0.0123( 0.00 0.02 0.02)     0.00-1323.11  0.81 -1316.70 2.75330 39: 4
  984  299 0.0102(-0.01 0.01 0.02)     0.00-1323.11  0.81 -1316.70 2.75314 39: 4
  985  299 0.0112(-0.01 0.01 0.03)     0.00-1323.11  0.81 -1316.69 2.75301 39: 4
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.304 24.268 21.275 109.4: 1800
       0.00:   0.00:   0.00:                   89.995 90.013119.941
  986  299 0.0134(-0.01 0.02 0.04)     0.00-1323.12  0.82 -1316.69 2.75287 39: 4
  987  299 0.0146(-0.01 0.02 0.04)     0.00-1323.12  0.82 -1316.69 2.75275 39: 4
  988  299 0.0172(-0.00 0.02 0.04)     0.00-1323.13  0.83 -1316.69 2.75261 39: 4
  989  299 0.0194( 0.01 0.02 0.03)     0.00-1323.12  0.83 -1316.69 2.75246 39: 4
  990  299 0.0227( 0.02 0.02 0.03)     0.00-1323.12  0.84 -1316.68 2.75230 39: 4
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.304 24.270 21.278 109.4: 1800
       0.00:   0.00:   0.00:                   89.995 90.016119.943
  991  298 0.0286( 0.03 0.02 0.03)     0.00-1323.11  0.84 -1316.67 2.75213 39: 4
  992  298 0.0365( 0.05 0.03 0.03)     0.00-1323.09  0.84 -1316.66 2.75191 39: 4
  993  297 0.0419( 0.05 0.04 0.04)     0.00-1323.07  0.85 -1316.65 2.75167 39: 4
  994  297 0.0456( 0.06 0.04 0.04)     0.00-1323.05  0.85 -1316.63 2.75140 39: 4
  995  297 0.0470( 0.06 0.04 0.04)     0.00-1323.03  0.85 -1316.61 2.75114 39: 4
 Msd:  0.02:O  0.01:S  0.00:   0.00:   0.00:   24.309 24.273 21.281 109.4: 1800
       0.00:   0.00:   0.00:                   89.997 90.019119.945
  996  298 0.0467( 0.05 0.04 0.05)     0.00-1323.02  0.85 -1316.59 2.75089 39: 4
  997  298 0.0432( 0.05 0.04 0.05)     0.00-1323.01  0.85 -1316.57 2.75065 39: 4
  998  299 0.0387( 0.04 0.03 0.04)     0.00-1323.02  0.85 -1316.56 2.75044 39: 4
  999  300 0.0326( 0.04 0.02 0.04)     0.00-1323.03  0.85 -1316.56 2.75028 39: 4
 1000  300 0.0295( 0.04 0.01 0.04)     0.00-1323.04  0.85 -1316.56 2.75014 39: 4
 Msd:  0.03:O  0.02:S  0.00:   0.00:   0.00:   24.313 24.275 21.285 109.4: 1800
       0.00:   0.00:   0.00:                   90.000 90.026119.950
 --------------------------------------------------------------------------------
 Avr   299 0.0208( 0.03 0.01 0.02)     0.00-1323.15  0.85 -1316.69 2.76719
 Std     2 0.0733( 0.09 0.08 0.07)     0.00    0.17  0.03     0.18 0.01144
 --------------------------------------------------------------------------------
 Temperatures: O : 290 Si: 318
 --------------------------------------------------------------------------------
 ===============  Files were updated  =============  End=    1000  =============
 <<<=====   Quartz Vashishta potential                                   ====>>>
    =========================================================================
     ===== Started at 13:38:53 on 11/19, finished at 13:39: 4 on 11/19 =====
    =========================================================================
