Welcome to MOLECULAR DYNAMICS SIMULATION WORLD: MD-XD-ORTHO Version 2025-11-20-
      ============== Titles in FILE07.DAT and FILE05.DAT are ==============
=====[F7]: Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967) =====
=====[F5]: Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967) =====
Option[ 1:MD......  2:START     3:ECONOMY   4:NOACCUM   5:T SCALIN  6:P SCALIN]
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Started at 16: 3:17 on 2025/11/20   from     1-st step, until   1000-th step
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
    1    8-2.7182(-0.56-0.56-7.04) -1730.32   99.09  2.88 -1628.09 2.38521  3'17
    2  187-1.6372(-0.17-0.17-4.57) -1734.13  102.41  2.90 -1622.97 2.39147  3'17
    3  244 0.0130( 0.02 0.03-0.01) -1741.78  109.14  2.88 -1622.13 2.39138  3'18
    4  283 1.5187( 0.07 0.08 4.41) -1748.81  115.76  2.80 -1621.40 2.38607  3'18
    5  283 2.7102(-0.00 0.00 8.12) -1754.63  121.69  2.70 -1621.41 2.38001  3'18
      Msd:   0.000(O)   0.000(M)   0.002(H)   0.000( )   0.000( )    62.9(    3360)
    6  265 3.8010(-0.08-0.0711.54) -1759.97  127.64  2.60 -1621.47 2.37402  3'18
    7  240 4.7448(-0.14-0.1414.50) -1764.57  133.16  2.51 -1621.38 2.36812  3'18
    8  221 5.4511(-0.19-0.1816.72) -1767.97  137.55  2.43 -1621.10 2.36231  3'18
    9  214 5.8401(-0.22-0.2217.95) -1769.82  140.12  2.37 -1620.65 2.35660  3'18
   10  225 5.8437(-0.26-0.2518.03) -1769.80  140.34  2.33 -1620.10 2.35105  3'18
      Msd:   0.000(O)   0.000(M)   0.006(H)   0.000( )   0.000( )    61.7(    3360)
   11  253 5.4099(-0.30-0.2916.82) -1767.68  137.86  2.31 -1619.62 2.34571  3'18
   12  287 4.5206(-0.37-0.3614.30) -1763.44  132.72  2.31 -1619.45 2.34076  3'18
   13  313 3.2537(-0.47-0.4610.69) -1757.44  125.64  2.33 -1619.70 2.33652  3'18
   14  323 1.7764(-0.58-0.57 6.47) -1750.42  117.75  2.36 -1620.22 2.33357  3'18
   15  317 0.3032(-0.66-0.65 2.23) -1743.33  110.27  2.41 -1620.73 2.33295  3'18
      Msd:   0.001(O)   0.001(M)   0.003(H)   0.000( )   0.000( )    61.9(    3360)
   16  303-0.9471(-0.71-0.69-1.43) -1737.21  104.24  2.47 -1621.04 2.33480  3'18
   17  286-1.8806(-0.70-0.69-4.24) -1732.55   99.94  2.54 -1621.12 2.33837  3'18
   18  273-2.5265(-0.65-0.64-6.28) -1729.25   97.09  2.62 -1621.02 2.34289  3'18
   19  265-2.9213(-0.58-0.56-7.62) -1727.15   95.40  2.69 -1620.79 2.34790  3'18
   20  263-3.0857(-0.48-0.46-8.31) -1726.17   94.69  2.76 -1620.50 2.35311  3'18
      Msd:   0.002(O)   0.002(M)   0.002(H)   0.000( )   0.000( )    62.9(    3360)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
   21  267-3.0302(-0.37-0.36-8.36) -1726.26   94.89  2.82 -1620.20 2.35831  3'18
   22  276-2.7629(-0.26-0.25-7.78) -1727.41   95.95  2.88 -1619.97 2.36355  3'18
   23  286-2.2802(-0.15-0.14-6.55) -1729.62   97.92  2.92 -1619.85 2.36858  3'18
   24  295-1.6121(-0.05-0.03-4.75) -1732.73  100.74  2.95 -1619.85 2.37302  3'18
   25  299-0.8123( 0.04 0.06-2.54) -1736.47  104.24  2.97 -1619.92 2.37570  3'18
      Msd:   0.004(O)   0.004(M)   0.004(H)   0.000( )   0.000( )    63.4(    3360)
   26  299-0.0202( 0.09 0.12-0.27) -1740.16  107.84  2.97 -1619.99 2.37577  3'18
   27  296 0.6328( 0.10 0.13 1.66) -1743.16  110.95  2.96 -1620.02 2.37388  3'19
   28  290 1.1345( 0.09 0.11 3.21) -1745.44  113.45  2.94 -1620.00 2.37068  3'19
   29  284 1.4879( 0.05 0.07 4.34) -1747.00  115.29  2.91 -1619.92 2.36675  3'19
   30  280 1.6975( 0.00 0.03 5.06) -1747.86  116.43  2.89 -1619.79 2.36248  3'19
      Msd:   0.006(O)   0.006(M)   0.006(H)   0.000( )   0.000( )    63.1(    3360)
   31  278 1.7607(-0.04-0.01 5.34) -1748.00  116.83  2.87 -1619.62 2.35852  3'19
   32  279 1.7131(-0.08-0.05 5.28) -1747.59  116.61  2.85 -1619.43 2.35477  3'19
   33  281 1.5353(-0.12-0.09 4.83) -1746.55  115.71  2.85 -1619.23 2.35142  3'19
   34  283 1.2430(-0.15-0.12 4.02) -1744.96  114.20  2.86 -1619.05 2.34865  3'19
   35  286 0.8658(-0.18-0.15 2.95) -1742.94  112.25  2.88 -1618.88 2.34667  3'19
      Msd:   0.009(O)   0.009(M)   0.008(H)   0.000( )   0.000( )    63.0(    3360)
   36  287 0.4433(-0.21-0.17 1.73) -1740.70  110.10  2.91 -1618.73 2.34564  3'19
   37  287 0.0173(-0.22-0.18 0.47) -1738.43  107.94  2.95 -1618.57 2.34561  3'19
   38  287-0.3808(-0.21-0.17-0.73) -1736.30  105.93  3.00 -1618.41 2.34652  3'19
   39  286-0.7279(-0.20-0.16-1.81) -1734.42  104.19  3.06 -1618.25 2.34831  3'19
   40  285-1.0055(-0.17-0.13-2.70) -1732.89  102.78  3.13 -1618.09 2.35079  3'19
      Msd:   0.012(O)   0.012(M)   0.011(H)   0.000( )   0.000( )    63.5(    3364)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
   41  284-1.2066(-0.13-0.08-3.39) -1731.73  101.73  3.20 -1617.94 2.35377  3'19
   42  284-1.3294(-0.08-0.03-3.86) -1730.96  101.04  3.27 -1617.79 2.35706  3'19
   43  284-1.3744(-0.02 0.03-4.11) -1730.58  100.71  3.35 -1617.66 2.36027  3'19
   44  284-1.3627( 0.03 0.08-4.19) -1730.46  100.66  3.42 -1617.53 2.36311  3'19
   45  284-1.3136( 0.08 0.14-4.14) -1730.52  100.78  3.48 -1617.39 2.36574  3'19
      Msd:   0.015(O)   0.015(M)   0.015(H)   0.000( )   0.000( )    64.3(    3376)
   46  284-1.2122( 0.13 0.19-3.94) -1730.82  101.17  3.54 -1617.25 2.36811  3'19
   47  283-1.0674( 0.18 0.24-3.60) -1731.32  101.77  3.60 -1617.10 2.37013  3'19
   48  283-0.8920( 0.22 0.28-3.16) -1731.96  102.53  3.66 -1616.94 2.37179  3'19
   49  283-0.7006( 0.26 0.32-2.67) -1732.66  103.37  3.71 -1616.75 2.37306  3'19
   50  283-0.5090( 0.30 0.36-2.17) -1733.34  104.21  3.75 -1616.55 2.37395  3'19
      Msd:   0.019(O)   0.019(M)   0.020(H)   0.000( )   0.000( )    65.0(    3416)
--------------------------------------------------------------------------------
 Avr   272 0.3680(-0.16-0.14 1.41) -1741.59  110.49  2.90 -1619.71 2.35991
 Std    45 2.4403( 0.26 0.27 7.31)    12.52   12.51  0.38     1.90 0.01503
--------------------------------------------------------------------------------
 Temperatures: O : 326 Mg: 489 H : 110
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
   51  283-0.3316( 0.33 0.40-1.70) -1733.96  104.98  3.80 -1616.34 2.37451  3'20
   52  284-0.1800( 0.35 0.42-1.30) -1734.44  105.60  3.84 -1616.14 2.37480  3'20
   53  285-0.0626( 0.37 0.45-0.98) -1734.76  106.05  3.88 -1615.93 2.37490  3'20
   54  286 0.0159( 0.38 0.46-0.78) -1734.90  106.30  3.93 -1615.74 2.37487  3'20
   55  286 0.0544( 0.39 0.47-0.69) -1734.84  106.36  3.97 -1615.57 2.37479  3'20
      Msd:   0.022(O)   0.023(M)   0.028(H)   0.000( )   0.000( )    65.6(    3512)
   56  286 0.0545( 0.40 0.48-0.70) -1734.61  106.24  4.02 -1615.40 2.37473  3'20
   57  286 0.0185( 0.41 0.49-0.82) -1734.20  105.97  4.07 -1615.23 2.37471  3'20
   58  285-0.0492( 0.41 0.50-1.04) -1733.63  105.57  4.13 -1615.05 2.37475  3'20
   59  283-0.1440( 0.42 0.51-1.34) -1732.93  105.04  4.19 -1614.85 2.37487  3'20
   60  282-0.2618( 0.42 0.52-1.70) -1732.12  104.42  4.25 -1614.64 2.37505  3'20
      Msd:   0.026(O)   0.027(M)   0.038(H)   0.000( )   0.000( )    66.6(    3686)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
   61  282-0.3962( 0.43 0.52-2.12) -1731.23  103.71  4.31 -1614.41 2.37533  3'20
   62  282-0.5380( 0.43 0.53-2.56) -1730.31  102.95  4.37 -1614.18 2.37571  3'20
   63  283-0.6787( 0.44 0.54-2.99) -1729.41  102.18  4.44 -1613.96 2.37619  3'20
   64  284-0.8095( 0.44 0.55-3.40) -1728.56  101.44  4.50 -1613.75 2.37676  3'20
   65  285-0.9214( 0.45 0.56-3.75) -1727.81  100.79  4.56 -1613.56 2.37741  3'20
      Msd:   0.031(O)   0.032(M)   0.048(H)   0.000( )   0.000( )    67.6(    3914)
   66  286-1.0059( 0.46 0.57-4.03) -1727.21  100.26  4.62 -1613.39 2.37811  3'20
   67  286-1.0558( 0.47 0.59-4.20) -1726.78   99.91  4.68 -1613.24 2.37885  3'20
   68  286-1.0671( 0.49 0.61-4.27) -1726.53   99.76  4.73 -1613.10 2.37960  3'20
   69  286-1.0396( 0.51 0.63-4.23) -1726.47   99.82  4.77 -1612.95 2.38032  3'20
   70  285-0.9765( 0.53 0.66-4.10) -1726.57  100.07  4.81 -1612.80 2.38101  3'20
      Msd:   0.035(O)   0.037(M)   0.057(H)   0.000( )   0.000( )    68.4(    4102)
   71  284-0.8845( 0.56 0.69-3.88) -1726.81  100.46  4.85 -1612.63 2.38163  3'20
   72  284-0.7732( 0.59 0.72-3.61) -1727.14  100.95  4.88 -1612.45 2.38217  3'20
   73  284-0.6538( 0.62 0.76-3.32) -1727.51  101.48  4.90 -1612.26 2.38263  3'20
   74  285-0.5371( 0.66 0.80-3.04) -1727.87  101.96  4.93 -1612.07 2.38301  3'20
   75  287-0.4337( 0.68 0.83-2.79) -1728.17  102.37  4.95 -1611.89 2.38331  3'21
      Msd:   0.039(O)   0.042(M)   0.066(H)   0.000( )   0.000( )    69.0(    4284)
   76  289-0.3510( 0.71 0.86-2.60) -1728.39  102.66  4.97 -1611.74 2.38356  3'21
   77  290-0.2936( 0.73 0.88-2.47) -1728.50  102.82  5.00 -1611.62 2.38377  3'21
   78  291-0.2637( 0.74 0.90-2.41) -1728.49  102.86  5.02 -1611.52 2.38396  3'21
   79  292-0.2601( 0.75 0.91-2.42) -1728.37  102.79  5.04 -1611.43 2.38414  3'21
   80  291-0.2806( 0.75 0.92-2.49) -1728.14  102.64  5.06 -1611.35 2.38434  3'21
      Msd:   0.043(O)   0.047(M)   0.078(H)   0.000( )   0.000( )    69.7(    4446)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
   81  290-0.3219( 0.76 0.92-2.62) -1727.82  102.41  5.08 -1611.26 2.38456  3'21
   82  289-0.3809( 0.75 0.92-2.79) -1727.41  102.12  5.10 -1611.16 2.38484  3'21
   83  289-0.4522( 0.75 0.92-3.00) -1726.96  101.78  5.12 -1611.04 2.38519  3'21
   84  289-0.5318( 0.74 0.91-3.22) -1726.47  101.40  5.14 -1610.92 2.38563  3'21
   85  289-0.6152( 0.73 0.90-3.46) -1725.99  101.00  5.15 -1610.80 2.38615  3'21
      Msd:   0.047(O)   0.053(M)   0.090(H)   0.000( )   0.000( )    70.3(    4594)
   86  291-0.6967( 0.72 0.90-3.69) -1725.53  100.58  5.17 -1610.70 2.38676  3'21
   87  292-0.7694( 0.71 0.89-3.89) -1725.12  100.20  5.18 -1610.62 2.38747  3'21
   88  294-0.8263( 0.71 0.89-4.05) -1724.82   99.88  5.18 -1610.57 2.38827  3'21
   89  295-0.8605( 0.70 0.89-4.15) -1724.64   99.68  5.18 -1610.55 2.38914  3'21
   90  296-0.8668( 0.70 0.89-4.17) -1724.60   99.63  5.18 -1610.56 2.38997  3'21
      Msd:   0.051(O)   0.058(M)   0.101(H)   0.000( )   0.000( )    70.9(    4726)
   91  296-0.8504( 0.70 0.90-4.14) -1724.67   99.71  5.17 -1610.56 2.39076  3'21
   92  295-0.8108( 0.71 0.92-4.04) -1724.85   99.92  5.15 -1610.56 2.39147  3'21
   93  294-0.7500( 0.73 0.94-3.90) -1725.12  100.26  5.13 -1610.55 2.39211  3'21
   94  293-0.6724( 0.75 0.97-3.71) -1725.47  100.69  5.11 -1610.52 2.39265  3'21
   95  293-0.5846( 0.77 1.00-3.50) -1725.86  101.17  5.08 -1610.47 2.39310  3'21
      Msd:   0.055(O)   0.064(M)   0.112(H)   0.000( )   0.000( )    71.4(    4878)
   96  293-0.4934( 0.79 1.03-3.28) -1726.27  101.65  5.05 -1610.41 2.39346  3'21
   97  294-0.4054( 0.82 1.05-3.06) -1726.67  102.10  5.02 -1610.36 2.39375  3'21
   98  296-0.3259( 0.83 1.08-2.87) -1727.03  102.49  4.99 -1610.32 2.39398  3'22
   99  297-0.2570( 0.85 1.10-2.69) -1727.35  102.81  4.95 -1610.31 2.39416  3'22
  100  299-0.2004( 0.85 1.11-2.54) -1727.63  103.06  4.92 -1610.32 2.39430  3'22
      Msd:   0.058(O)   0.069(M)   0.125(H)   0.000( )   0.000( )    71.7(    5001)
--------------------------------------------------------------------------------
 Avr   289-0.5156( 0.61 0.76-2.89) -1728.42  102.22  4.75 -1612.44 2.38315
 Std     4 0.3193( 0.16 0.21 1.07)     3.15    2.04  0.43     1.91 0.00657
--------------------------------------------------------------------------------
 Temperatures: O : 336 Mg: 530 H : 120
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  101  299-0.1561( 0.85 1.11-2.41) -1727.85  103.27  4.88 -1610.35 2.39441  3'22
  102  299-0.1230( 0.85 1.11-2.30) -1728.03  103.44  4.85 -1610.39 2.39451  3'22
  103  299-0.0961( 0.84 1.10-2.21) -1728.18  103.61  4.81 -1610.43 2.39460  3'22
  104  298-0.0745( 0.83 1.08-2.11) -1728.31  103.77  4.78 -1610.46 2.39468  3'22
  105  296-0.0581( 0.81 1.06-2.03) -1728.41  103.93  4.75 -1610.47 2.39474  3'22
      Msd:   0.061(O)   0.074(M)   0.140(H)   0.000( )   0.000( )    72.1(    5123)
  106  296-0.0483( 0.79 1.04-1.95) -1728.48  104.07  4.71 -1610.47 2.39481  3'22
  107  295-0.0449( 0.76 1.01-1.89) -1728.52  104.17  4.67 -1610.45 2.39487  3'22
  108  296-0.0478( 0.73 0.98-1.83) -1728.54  104.23  4.64 -1610.43 2.39494  3'22
  109  297-0.0557( 0.70 0.94-1.79) -1728.55  104.25  4.60 -1610.42 2.39504  3'22
  110  298-0.0653( 0.67 0.91-1.75) -1728.56  104.25  4.56 -1610.43 2.39517  3'22
      Msd:   0.063(O)   0.079(M)   0.157(H)   0.000( )   0.000( )    72.4(    5220)
  111  300-0.0722( 0.63 0.87-1.69) -1728.60  104.26  4.52 -1610.47 2.39534  3'22
  112  300-0.0717( 0.60 0.83-1.62) -1728.68  104.29  4.48 -1610.52 2.39551  3'22
  113  301-0.0604( 0.56 0.79-1.51) -1728.81  104.40  4.44 -1610.59 2.39567  3'22
  114  300-0.0370( 0.53 0.75-1.37) -1729.00  104.57  4.40 -1610.66 2.39573  3'22
  115  299-0.0038( 0.50 0.71-1.20) -1729.22  104.82  4.35 -1610.72 2.39565  3'22
      Msd:   0.065(O)   0.084(M)   0.174(H)   0.000( )   0.000( )    72.7(    5330)
  116  298 0.0344( 0.47 0.67-1.01) -1729.46  105.10  4.31 -1610.76 2.39534  3'22
  117  296 0.0711( 0.43 0.62-0.82) -1729.68  105.39  4.26 -1610.77 2.39479  3'22
  118  296 0.0975( 0.39 0.57-0.64) -1729.84  105.63  4.21 -1610.77 2.39408  3'22
  119  295 0.1087( 0.35 0.51-0.52) -1729.93  105.79  4.17 -1610.75 2.39331  3'22
  120  296 0.1099( 0.31 0.46-0.42) -1729.96  105.88  4.12 -1610.72 2.39253  3'22
      Msd:   0.067(O)   0.089(M)   0.192(H)   0.000( )   0.000( )    73.0(    5440)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  121  297 0.1059( 0.27 0.41-0.35) -1729.97  105.93  4.08 -1610.70 2.39178  3'23
  122  298 0.1006( 0.24 0.37-0.28) -1729.98  105.96  4.03 -1610.69 2.39107  3'23
  123  299 0.0984( 0.20 0.32-0.21) -1730.00  105.99  3.99 -1610.70 2.39037  3'23
  124  299 0.1006( 0.17 0.28-0.13) -1730.05  106.05  3.95 -1610.72 2.38965  3'23
  125  299 0.1090( 0.14 0.24-0.04) -1730.12  106.15  3.91 -1610.74 2.38887  3'23
      Msd:   0.069(O)   0.093(M)   0.212(H)   0.000( )   0.000( )    73.2(    5472)
  126  298 0.1235( 0.12 0.21 0.06) -1730.22  106.29  3.86 -1610.76 2.38799  3'23
  127  297 0.1424( 0.09 0.18 0.17) -1730.33  106.47  3.82 -1610.76 2.38697  3'23
  128  296 0.1642( 0.07 0.16 0.28) -1730.45  106.68  3.78 -1610.75 2.38581  3'23
  129  295 0.1861( 0.05 0.13 0.39) -1730.56  106.89  3.74 -1610.72 2.38449  3'23
  130  295 0.2074( 0.04 0.12 0.49) -1730.68  107.10  3.70 -1610.68 2.38303  3'23
      Msd:   0.070(O)   0.098(M)   0.231(H)   0.000( )   0.000( )    73.5(    5616)
  131  295 0.2265( 0.03 0.10 0.57) -1730.78  107.29  3.65 -1610.63 2.38145  3'23
  132  295 0.2431( 0.02 0.09 0.64) -1730.88  107.46  3.61 -1610.59 2.37976  3'23
  133  296 0.2572( 0.01 0.08 0.70) -1730.97  107.60  3.57 -1610.55 2.37799  3'23
  134  297 0.2698( 0.01 0.08 0.74) -1731.06  107.72  3.52 -1610.54 2.37614  3'23
  135  298 0.2825( 0.01 0.08 0.78) -1731.16  107.84  3.48 -1610.54 2.37430  3'23
      Msd:   0.072(O)   0.102(M)   0.247(H)   0.000( )   0.000( )    73.6(    5655)
  136  298 0.3020( 0.02 0.08 0.82) -1731.29  108.00  3.43 -1610.55 2.37259  3'23
  137  298 0.3372( 0.04 0.10 0.90) -1731.50  108.24  3.39 -1610.56 2.37094  3'23
  138  297 0.3820( 0.06 0.12 0.99) -1731.74  108.54  3.35 -1610.57 2.36932  3'23
  139  296 0.4322( 0.08 0.15 1.08) -1732.00  108.88  3.31 -1610.56 2.36773  3'23
  140  295 0.4835( 0.11 0.18 1.18) -1732.27  109.23  3.28 -1610.54 2.36618  3'23
      Msd:   0.073(O)   0.106(M)   0.262(H)   0.000( )   0.000( )    73.6(    5752)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  141  294 0.5329( 0.13 0.21 1.28) -1732.52  109.58  3.24 -1610.51 2.36471  3'23
  142  294 0.5765( 0.16 0.23 1.36) -1732.74  109.88  3.21 -1610.46 2.36334  3'23
  143  295 0.6118( 0.17 0.25 1.43) -1732.93  110.13  3.18 -1610.42 2.36207  3'23
  144  296 0.6376( 0.19 0.27 1.47) -1733.08  110.31  3.15 -1610.38 2.36093  3'24
  145  297 0.6539( 0.19 0.28 1.51) -1733.19  110.44  3.12 -1610.36 2.35992  3'24
      Msd:   0.075(O)   0.109(M)   0.276(H)   0.000( )   0.000( )    73.7(    5810)
  146  298 0.6618( 0.19 0.29 1.52) -1733.27  110.51  3.10 -1610.36 2.35894  3'24
  147  298 0.6578( 0.18 0.29 1.52) -1733.29  110.53  3.08 -1610.37 2.35782  3'24
  148  298 0.6344( 0.16 0.27 1.49) -1733.23  110.47  3.06 -1610.39 2.35657  3'24
  149  298 0.5976( 0.13 0.25 1.43) -1733.11  110.35  3.04 -1610.40 2.35522  3'24
  150  297 0.5520( 0.10 0.22 1.36) -1732.94  110.22  3.02 -1610.42 2.35378  3'24
      Msd:   0.076(O)   0.113(M)   0.289(H)   0.000( )   0.000( )    73.8(    5856)
--------------------------------------------------------------------------------
 Avr   297 0.2015( 0.32 0.46-0.16) -1730.46  106.72  3.90 -1610.56 2.38211
 Std     1 0.2510( 0.28 0.35 1.29)     1.67    2.30  0.59     0.14 0.01408
--------------------------------------------------------------------------------
 Temperatures: O : 339 Mg: 418 H : 195
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
  151  297 0.5032( 0.07 0.19 1.28) -1732.77  110.08  3.00 -1610.42 2.35226  3'24
  152  296 0.4560( 0.03 0.16 1.20) -1732.59  109.95  2.99 -1610.41 2.35068  3'24
  153  296 0.4132( 0.01 0.13 1.12) -1732.44  109.84  2.97 -1610.39 2.34903  3'24
  154  296 0.3761(-0.01 0.11 1.05) -1732.32  109.74  2.95 -1610.37 2.34746  3'24
  155  297 0.3568(-0.02 0.09 1.01) -1732.28  109.71  2.94 -1610.35 2.34589  3'24
      Msd:   0.078(O)   0.116(M)   0.299(H)   0.000( )   0.000( )    73.6(    5830)
  156  298 0.3520(-0.02 0.09 1.00) -1732.32  109.74  2.92 -1610.35 2.34412  3'24
  157  299 0.3493(-0.02 0.09 0.99) -1732.38  109.76  2.90 -1610.37 2.34212  3'24
  158  300 0.3475(-0.01 0.09 0.98) -1732.45  109.79  2.87 -1610.41 2.33984  3'24
  159  301 0.3448( 0.00 0.09 0.96) -1732.53  109.83  2.85 -1610.46 2.33758  3'24
  160  301 0.3608( 0.02 0.10 0.99) -1732.69  109.96  2.82 -1610.52 2.33551  3'24
      Msd:   0.080(O)   0.119(M)   0.305(H)   0.000( )   0.000( )    73.7(    5809)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  161  300 0.4058( 0.04 0.12 1.07) -1732.98  110.24  2.80 -1610.57 2.33348  3'24
  162  299 0.4662( 0.07 0.15 1.19) -1733.35  110.61  2.77 -1610.62 2.33147  3'24
  163  299 0.5330( 0.10 0.18 1.33) -1733.74  111.01  2.75 -1610.65 2.32947  3'24
  164  298 0.6000( 0.13 0.21 1.48) -1734.13  111.42  2.73 -1610.68 2.32752  3'24
  165  298 0.6611( 0.15 0.23 1.61) -1734.49  111.79  2.70 -1610.69 2.32566  3'24
      Msd:   0.081(O)   0.121(M)   0.309(H)   0.000( )   0.000( )    73.5(    5732)
  166  298 0.7116( 0.17 0.25 1.73) -1734.80  112.09  2.68 -1610.71 2.32392  3'24
  167  299 0.7479( 0.18 0.26 1.82) -1735.04  112.31  2.66 -1610.73 2.32234  3'25
  168  299 0.7681( 0.18 0.27 1.88) -1735.20  112.44  2.65 -1610.76 2.32080  3'25
  169  300 0.7630( 0.16 0.26 1.89) -1735.25  112.44  2.63 -1610.80 2.31919  3'25
  170  300 0.7272( 0.13 0.23 1.83) -1735.15  112.30  2.62 -1610.85 2.31743  3'25
      Msd:   0.083(O)   0.123(M)   0.312(H)   0.000( )   0.000( )    73.5(    5641)
  171  300 0.6579( 0.09 0.19 1.71) -1734.88  111.99  2.61 -1610.91 2.31560  3'25
  172  300 0.5644( 0.04 0.14 1.54) -1734.50  111.58  2.60 -1610.96 2.31379  3'25
  173  299 0.4584(-0.02 0.08 1.33) -1734.05  111.13  2.59 -1611.00 2.31224  3'25
  174  298 0.3619(-0.06 0.03 1.13) -1733.64  110.72  2.59 -1611.02 2.31095  3'25
  175  297 0.2810(-0.09-0.00 0.96) -1733.29  110.39  2.58 -1611.03 2.30999  3'25
      Msd:   0.085(O)   0.125(M)   0.316(H)   0.000( )   0.000( )    73.4(    5614)
  176  297 0.2257(-0.11-0.03 0.83) -1733.06  110.17  2.58 -1611.03 2.30925  3'25
  177  297 0.1933(-0.12-0.03 0.74) -1732.94  110.05  2.58 -1611.03 2.30864  3'25
  178  298 0.1813(-0.11-0.03 0.70) -1732.91  110.01  2.58 -1611.03 2.30799  3'25
  179  298 0.1780(-0.10-0.02 0.67) -1732.92  110.01  2.58 -1611.03 2.30724  3'25
  180  299 0.1831(-0.08-0.01 0.66) -1732.98  110.04  2.57 -1611.04 2.30636  3'25
      Msd:   0.087(O)   0.127(M)   0.317(H)   0.000( )   0.000( )    73.1(    5539)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  181  299 0.1945(-0.06 0.00 0.66) -1733.07  110.10  2.56 -1611.06 2.30538  3'25
  182  299 0.2165(-0.04 0.02 0.68) -1733.20  110.22  2.56 -1611.09 2.30434  3'25
  183  299 0.2504(-0.01 0.04 0.74) -1733.39  110.40  2.55 -1611.12 2.30319  3'25
  184  298 0.2919( 0.01 0.06 0.82) -1733.61  110.63  2.54 -1611.13 2.30204  3'25
  185  297 0.3433( 0.03 0.09 0.93) -1733.87  110.92  2.53 -1611.14 2.30086  3'25
      Msd:   0.089(O)   0.128(M)   0.317(H)   0.000( )   0.000( )    72.8(    5506)
  186  297 0.3979( 0.05 0.11 1.05) -1734.15  111.22  2.52 -1611.14 2.29968  3'25
  187  296 0.4513( 0.07 0.13 1.17) -1734.41  111.52  2.51 -1611.13 2.29853  3'25
  188  296 0.4985( 0.07 0.15 1.29) -1734.63  111.77  2.50 -1611.11 2.29742  3'25
  189  296 0.5362( 0.08 0.15 1.39) -1734.81  111.97  2.49 -1611.09 2.29639  3'25
  190  297 0.5614( 0.07 0.16 1.47) -1734.93  112.10  2.49 -1611.08 2.29537  3'26
      Msd:   0.092(O)   0.129(M)   0.317(H)   0.000( )   0.000( )    72.7(    5426)
  191  297 0.5663( 0.06 0.15 1.51) -1734.95  112.12  2.48 -1611.07 2.29429  3'26
  192  297 0.5464( 0.03 0.13 1.50) -1734.85  112.01  2.48 -1611.07 2.29309  3'26
  193  297 0.4977(-0.00 0.09 1.42) -1734.61  111.77  2.48 -1611.08 2.29194  3'26
  194  297 0.4347(-0.04 0.05 1.31) -1734.30  111.46  2.47 -1611.08 2.29089  3'26
  195  297 0.3636(-0.08 0.01 1.18) -1733.94  111.12  2.47 -1611.08 2.28996  3'26
      Msd:   0.094(O)   0.130(M)   0.320(H)   0.000( )   0.000( )    72.4(    5269)
  196  296 0.2911(-0.11-0.03 1.03) -1733.58  110.77  2.48 -1611.08 2.28926  3'26
  197  296 0.2270(-0.14-0.06 0.90) -1733.25  110.47  2.48 -1611.06 2.28873  3'26
  198  296 0.1735(-0.16-0.09 0.78) -1732.97  110.22  2.49 -1611.03 2.28834  3'26
  199  296 0.1303(-0.17-0.10 0.68) -1732.74  110.01  2.49 -1611.00 2.28807  3'26
  200  296 0.0978(-0.18-0.12 0.61) -1732.56  109.85  2.49 -1610.98 2.28787  3'26
      Msd:   0.096(O)   0.131(M)   0.322(H)   0.000( )   0.000( )    72.4(    5266)
--------------------------------------------------------------------------------
 Avr   298 0.4120( 0.01 0.09 1.16) -1733.64  110.84  2.64 -1610.86 2.31407
 Std     1 0.1768( 0.09 0.10 0.36)     0.93    0.90  0.16     0.27 0.01946
--------------------------------------------------------------------------------
 Temperatures: O : 385 Mg: 368 H : 176
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  201  296 0.0769(-0.18-0.13 0.55) -1732.44  109.73  2.50 -1610.95 2.28772  3'26
  202  297 0.0669(-0.17-0.13 0.52) -1732.37  109.66  2.50 -1610.94 2.28759  3'26
  203  297 0.0661(-0.17-0.13 0.51) -1732.35  109.63  2.51 -1610.93 2.28744  3'26
  204  298 0.0724(-0.16-0.12 0.51) -1732.37  109.64  2.51 -1610.93 2.28726  3'26
  205  298 0.0865(-0.14-0.11 0.53) -1732.43  109.69  2.51 -1610.93 2.28704  3'26
      Msd:   0.098(O)   0.131(M)   0.325(H)   0.000( )   0.000( )    72.4(    5282)
  206  297 0.1063(-0.13-0.10 0.57) -1732.51  109.78  2.51 -1610.94 2.28675  3'26
  207  297 0.1287(-0.12-0.09 0.61) -1732.61  109.89  2.51 -1610.94 2.28639  3'26
  208  297 0.1502(-0.11-0.08 0.65) -1732.70  110.00  2.51 -1610.93 2.28594  3'26
  209  296 0.1678(-0.10-0.07 0.69) -1732.77  110.08  2.51 -1610.92 2.28542  3'26
  210  296 0.1778(-0.11-0.07 0.72) -1732.80  110.13  2.50 -1610.90 2.28490  3'26
      Msd:   0.101(O)   0.131(M)   0.328(H)   0.000( )   0.000( )    72.3(    5234)
  211  297 0.1831(-0.11-0.07 0.74) -1732.80  110.15  2.50 -1610.89 2.28443  3'26
  212  297 0.1859(-0.12-0.07 0.76) -1732.80  110.14  2.50 -1610.88 2.28402  3'26
  213  297 0.1845(-0.13-0.08 0.78) -1732.77  110.11  2.50 -1610.87 2.28366  3'27
  214  298 0.1777(-0.14-0.09 0.78) -1732.72  110.05  2.50 -1610.88 2.28337  3'27
  215  298 0.1649(-0.16-0.10 0.77) -1732.65  109.96  2.50 -1610.88 2.28311  3'27
      Msd:   0.103(O)   0.131(M)   0.333(H)   0.000( )   0.000( )    72.1(    5198)
  216  298 0.1450(-0.18-0.12 0.75) -1732.53  109.84  2.50 -1610.89 2.28289  3'27
  217  298 0.1192(-0.20-0.13 0.71) -1732.39  109.69  2.50 -1610.90 2.28272  3'27
  218  297 0.0882(-0.22-0.15 0.65) -1732.22  109.52  2.50 -1610.91 2.28260  3'27
  219  297 0.0540(-0.24-0.17 0.58) -1732.04  109.35  2.50 -1610.91 2.28253  3'27
  220  297 0.0175(-0.26-0.18 0.51) -1731.84  109.16  2.51 -1610.90 2.28251  3'27
      Msd:   0.105(O)   0.131(M)   0.339(H)   0.000( )   0.000( )    72.2(    5197)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  221  297-0.0198(-0.28-0.20 0.43) -1731.63  108.96  2.51 -1610.89 2.28253  3'27
  222  297-0.0574(-0.29-0.21 0.35) -1731.43  108.76  2.51 -1610.88 2.28260  3'27
  223  297-0.0936(-0.31-0.23 0.27) -1731.23  108.56  2.52 -1610.87 2.28270  3'27
  224  298-0.1274(-0.32-0.24 0.19) -1731.05  108.36  2.52 -1610.87 2.28283  3'27
  225  298-0.1572(-0.33-0.25 0.13) -1730.88  108.19  2.52 -1610.87 2.28298  3'27
      Msd:   0.107(O)   0.130(M)   0.345(H)   0.000( )   0.000( )    72.4(    5224)
  226  298-0.1811(-0.34-0.26 0.07) -1730.75  108.04  2.53 -1610.88 2.28315  3'27
  227  298-0.1985(-0.35-0.27 0.04) -1730.65  107.93  2.53 -1610.88 2.28333  3'27
  228  298-0.2088(-0.35-0.27 0.01) -1730.58  107.85  2.53 -1610.89 2.28350  3'27
  229  297-0.2128(-0.35-0.28 0.01) -1730.54  107.82  2.53 -1610.90 2.28367  3'27
  230  297-0.2110(-0.36-0.28 0.02) -1730.52  107.81  2.53 -1610.90 2.28382  3'27
      Msd:   0.108(O)   0.130(M)   0.351(H)   0.000( )   0.000( )    73.0(    5305)
  231  297-0.2058(-0.36-0.28 0.04) -1730.52  107.83  2.53 -1610.89 2.28396  3'27
  232  297-0.1980(-0.36-0.28 0.07) -1730.54  107.85  2.53 -1610.88 2.28409  3'27
  233  297-0.1894(-0.36-0.29 0.10) -1730.55  107.87  2.53 -1610.87 2.28422  3'27
  234  297-0.1822(-0.37-0.29 0.13) -1730.56  107.89  2.53 -1610.86 2.28435  3'27
  235  297-0.1777(-0.37-0.29 0.15) -1730.55  107.88  2.53 -1610.86 2.28447  3'27
      Msd:   0.110(O)   0.130(M)   0.357(H)   0.000( )   0.000( )    73.1(    5327)
  236  298-0.1771(-0.38-0.30 0.16) -1730.53  107.85  2.53 -1610.85 2.28459  3'28
  237  298-0.1814(-0.39-0.30 0.17) -1730.48  107.80  2.53 -1610.86 2.28472  3'28
  238  298-0.1899(-0.40-0.31 0.16) -1730.42  107.73  2.53 -1610.86 2.28485  3'28
  239  298-0.2026(-0.42-0.32 0.14) -1730.33  107.65  2.52 -1610.87 2.28499  3'28
  240  297-0.2188(-0.43-0.32 0.11) -1730.23  107.55  2.52 -1610.87 2.28514  3'28
      Msd:   0.112(O)   0.129(M)   0.362(H)   0.000( )   0.000( )    73.5(    5371)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  241  297-0.2384(-0.44-0.33 0.07) -1730.11  107.44  2.53 -1610.87 2.28530  3'28
  242  297-0.2611(-0.45-0.34 0.02) -1729.97  107.31  2.53 -1610.86 2.28548  3'28
  243  297-0.2860(-0.47-0.34-0.03) -1729.83  107.18  2.53 -1610.85 2.28567  3'28
  244  297-0.3125(-0.48-0.35-0.09) -1729.68  107.03  2.53 -1610.85 2.28589  3'28
  245  297-0.3398(-0.49-0.36-0.16) -1729.52  106.88  2.53 -1610.84 2.28612  3'28
      Msd:   0.113(O)   0.129(M)   0.367(H)   0.000( )   0.000( )    73.5(    5368)
  246  297-0.3669(-0.50-0.37-0.22) -1729.38  106.73  2.53 -1610.83 2.28637  3'28
  247  298-0.3922(-0.50-0.38-0.28) -1729.24  106.58  2.53 -1610.83 2.28664  3'28
  248  298-0.4151(-0.51-0.38-0.34) -1729.11  106.44  2.53 -1610.83 2.28693  3'28
  249  298-0.4338(-0.51-0.39-0.38) -1729.01  106.33  2.54 -1610.84 2.28723  3'28
  250  298-0.4472(-0.51-0.40-0.42) -1728.93  106.24  2.54 -1610.85 2.28753  3'28
      Msd:   0.114(O)   0.128(M)   0.371(H)   0.000( )   0.000( )    73.7(    5385)
--------------------------------------------------------------------------------
 Avr   297-0.0893(-0.30-0.23 0.28) -1731.18  108.49  2.52 -1610.88 2.28476
 Std     0 0.1921( 0.13 0.11 0.34)     1.22    1.21  0.01     0.03 0.00163
--------------------------------------------------------------------------------
 Temperatures: O : 352 Mg: 429 H : 177
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
  251  298-0.4555(-0.51-0.40-0.44) -1728.88  106.18  2.54 -1610.86 2.28784  3'28
  252  298-0.4584(-0.51-0.40-0.45) -1728.86  106.16  2.54 -1610.86 2.28816  3'28
  253  298-0.4575(-0.50-0.40-0.45) -1728.86  106.15  2.54 -1610.87 2.28847  3'28
  254  298-0.4526(-0.49-0.40-0.44) -1728.87  106.16  2.54 -1610.87 2.28883  3'28
  255  298-0.4429(-0.48-0.40-0.43) -1728.91  106.20  2.54 -1610.87 2.28924  3'28
      Msd:   0.115(O)   0.128(M)   0.373(H)   0.000( )   0.000( )    73.8(    5420)
  256  298-0.4299(-0.47-0.40-0.41) -1728.97  106.24  2.54 -1610.88 2.28970  3'28
  257  298-0.4145(-0.46-0.39-0.38) -1729.04  106.30  2.55 -1610.89 2.29021  3'28
  258  298-0.3978(-0.45-0.38-0.35) -1729.12  106.36  2.55 -1610.90 2.29078  3'28
  259  298-0.3812(-0.43-0.36-0.33) -1729.20  106.42  2.55 -1610.91 2.29141  3'29
  260  299-0.3644(-0.42-0.35-0.31) -1729.28  106.48  2.55 -1610.93 2.29211  3'29
      Msd:   0.116(O)   0.128(M)   0.375(H)   0.000( )   0.000( )    73.8(    5390)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  261  299-0.3480(-0.40-0.33-0.30) -1729.37  106.53  2.56 -1610.95 2.29288  3'29
  262  299-0.3317(-0.38-0.30-0.29) -1729.45  106.59  2.56 -1610.97 2.29373  3'29
  263  298-0.3157(-0.36-0.28-0.29) -1729.53  106.65  2.57 -1610.99 2.29467  3'29
  264  298-0.2994(-0.34-0.25-0.29) -1729.62  106.72  2.57 -1611.01 2.29560  3'29
  265  298-0.2864(-0.32-0.22-0.30) -1729.68  106.76  2.58 -1611.02 2.29654  3'29
      Msd:   0.117(O)   0.127(M)   0.376(H)   0.000( )   0.000( )    73.7(    5391)
  266  298-0.2767(-0.30-0.19-0.32) -1729.74  106.79  2.59 -1611.04 2.29749  3'29
  267  298-0.2688(-0.29-0.17-0.34) -1729.78  106.82  2.60 -1611.05 2.29846  3'29
  268  298-0.2618(-0.27-0.14-0.35) -1729.82  106.83  2.61 -1611.07 2.29946  3'29
  269  298-0.2544(-0.26-0.12-0.37) -1729.86  106.85  2.62 -1611.08 2.30047  3'29
  270  298-0.2451(-0.24-0.10-0.38) -1729.91  106.87  2.63 -1611.10 2.30150  3'29
      Msd:   0.117(O)   0.127(M)   0.377(H)   0.000( )   0.000( )    73.8(    5435)
  271  298-0.2344(-0.22-0.08-0.39) -1729.97  106.90  2.64 -1611.12 2.30253  3'29
  272  298-0.2207(-0.19-0.07-0.39) -1730.05  106.94  2.65 -1611.13 2.30365  3'29
  273  298-0.1985(-0.17-0.05-0.36) -1730.16  107.03  2.66 -1611.15 2.30482  3'29
  274  298-0.1696(-0.13-0.03-0.33) -1730.31  107.15  2.67 -1611.17 2.30597  3'29
  275  298-0.1380(-0.10-0.02-0.28) -1730.47  107.29  2.68 -1611.19 2.30693  3'29
      Msd:   0.118(O)   0.126(M)   0.377(H)   0.000( )   0.000( )    73.9(    5480)
  276  298-0.1150(-0.07-0.01-0.25) -1730.59  107.39  2.69 -1611.20 2.30772  3'29
  277  298-0.0984(-0.05-0.01-0.23) -1730.67  107.45  2.70 -1611.21 2.30840  3'29
  278  298-0.0866(-0.03-0.01-0.21) -1730.74  107.50  2.70 -1611.23 2.30900  3'29
  279  298-0.0776(-0.01-0.01-0.19) -1730.78  107.54  2.71 -1611.24 2.30953  3'29
  280  298-0.0699( 0.00-0.01-0.18) -1730.82  107.56  2.71 -1611.24 2.31002  3'29
      Msd:   0.118(O)   0.126(M)   0.377(H)   0.000( )   0.000( )    74.0(    5531)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  281  298-0.0637( 0.01-0.02-0.17) -1730.86  107.58  2.72 -1611.25 2.31044  3'29
  282  298-0.0593( 0.02-0.02-0.16) -1730.88  107.59  2.72 -1611.26 2.31081  3'30
  283  298-0.0562( 0.02-0.02-0.16) -1730.90  107.59  2.73 -1611.27 2.31118  3'30
  284  298-0.0512( 0.02-0.01-0.15) -1730.92  107.60  2.73 -1611.28 2.31154  3'30
  285  298-0.0451( 0.02-0.01-0.13) -1730.95  107.62  2.74 -1611.29 2.31185  3'30
      Msd:   0.118(O)   0.126(M)   0.376(H)   0.000( )   0.000( )    74.1(    5559)
  286  298-0.0393( 0.01 0.00-0.12) -1730.98  107.63  2.74 -1611.30 2.31212  3'30
  287  298-0.0346( 0.01 0.01-0.10) -1731.00  107.65  2.75 -1611.30 2.31236  3'30
  288  298-0.0309(-0.00 0.02-0.09) -1731.02  107.66  2.75 -1611.31 2.31257  3'30
  289  298-0.0281(-0.01 0.02-0.08) -1731.03  107.66  2.76 -1611.31 2.31274  3'30
  290  298-0.0264(-0.02 0.03-0.07) -1731.03  107.66  2.76 -1611.32 2.31290  3'30
      Msd:   0.118(O)   0.125(M)   0.376(H)   0.000( )   0.000( )    74.1(    5585)
  291  298-0.0258(-0.03 0.03-0.06) -1731.04  107.66  2.77 -1611.32 2.31305  3'30
  292  298-0.0256(-0.04 0.03-0.05) -1731.03  107.66  2.77 -1611.32 2.31319  3'30
  293  298-0.0261(-0.05 0.03-0.05) -1731.03  107.65  2.77 -1611.32 2.31334  3'30
  294  298-0.0260(-0.05 0.03-0.04) -1731.03  107.64  2.77 -1611.32 2.31350  3'30
  295  298-0.0254(-0.05 0.02-0.03) -1731.04  107.64  2.78 -1611.32 2.31367  3'30
      Msd:   0.118(O)   0.125(M)   0.374(H)   0.000( )   0.000( )    74.2(    5595)
  296  298-0.0236(-0.04 0.01-0.03) -1731.05  107.65  2.78 -1611.33 2.31384  3'30
  297  298-0.0230(-0.03 0.01-0.03) -1731.05  107.65  2.78 -1611.33 2.31400  3'30
  298  298-0.0229(-0.03-0.00-0.02) -1731.06  107.65  2.78 -1611.33 2.31416  3'30
  299  298-0.0227(-0.02-0.01-0.02) -1731.06  107.65  2.79 -1611.34 2.31432  3'30
  300  298-0.0228(-0.01-0.02-0.03) -1731.06  107.64  2.79 -1611.34 2.31447  3'30
      Msd:   0.118(O)   0.125(M)   0.372(H)   0.000( )   0.000( )    73.9(    5554)
--------------------------------------------------------------------------------
 Avr   298-0.1846(-0.18-0.12-0.23) -1730.23  107.11  2.67 -1611.14 2.30384
 Std     0 0.1562( 0.19 0.16 0.14)     0.80    0.55  0.09     0.17 0.00932
--------------------------------------------------------------------------------
 Temperatures: O : 352 Mg: 400 H : 193
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  301  297-0.0239( 0.00-0.03-0.03) -1731.06  107.64  2.79 -1611.34 2.31462  3'30
  302  297-0.0250( 0.01-0.04-0.03) -1731.05  107.63  2.79 -1611.34 2.31475  3'30
  303  297-0.0272( 0.02-0.05-0.04) -1731.04  107.62  2.80 -1611.34 2.31488  3'30
  304  298-0.0306( 0.02-0.05-0.05) -1731.03  107.60  2.80 -1611.34 2.31501  3'30
  305  298-0.0346( 0.03-0.06-0.06) -1731.01  107.58  2.80 -1611.34 2.31513  3'31
      Msd:   0.118(O)   0.124(M)   0.370(H)   0.000( )   0.000( )    73.7(    5554)
  306  298-0.0386( 0.03-0.06-0.07) -1731.00  107.56  2.81 -1611.34 2.31525  3'31
  307  298-0.0430( 0.03-0.07-0.08) -1730.98  107.53  2.81 -1611.34 2.31537  3'31
  308  298-0.0464( 0.03-0.07-0.08) -1730.97  107.51  2.81 -1611.35 2.31550  3'31
  309  298-0.0492( 0.03-0.07-0.09) -1730.96  107.50  2.81 -1611.35 2.31563  3'31
  310  298-0.0505( 0.02-0.07-0.09) -1730.96  107.49  2.81 -1611.35 2.31577  3'31
      Msd:   0.117(O)   0.123(M)   0.368(H)   0.000( )   0.000( )    73.6(    5552)
  311  298-0.0502( 0.02-0.06-0.09) -1730.97  107.50  2.82 -1611.36 2.31593  3'31
  312  298-0.0473( 0.02-0.06-0.08) -1730.99  107.51  2.82 -1611.36 2.31610  3'31
  313  298-0.0426( 0.02-0.05-0.07) -1731.03  107.54  2.82 -1611.37 2.31628  3'31
  314  298-0.0357( 0.02-0.05-0.06) -1731.06  107.58  2.82 -1611.37 2.31644  3'31
  315  298-0.0299( 0.02-0.04-0.05) -1731.10  107.61  2.82 -1611.37 2.31659  3'31
      Msd:   0.117(O)   0.123(M)   0.365(H)   0.000( )   0.000( )    73.3(    5506)
  316  298-0.0249( 0.02-0.04-0.04) -1731.13  107.64  2.82 -1611.38 2.31671  3'31
  317  298-0.0210( 0.02-0.03-0.04) -1731.16  107.66  2.82 -1611.38 2.31682  3'31
  318  298-0.0184( 0.03-0.03-0.04) -1731.18  107.68  2.82 -1611.38 2.31692  3'31
  319  298-0.0163( 0.03-0.03-0.04) -1731.20  107.69  2.82 -1611.39 2.31701  3'31
  320  298-0.0153( 0.03-0.03-0.04) -1731.21  107.69  2.82 -1611.39 2.31709  3'31
      Msd:   0.117(O)   0.122(M)   0.362(H)   0.000( )   0.000( )    73.2(    5494)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  321  298-0.0159( 0.04-0.03-0.04) -1731.22  107.69  2.82 -1611.40 2.31716  3'31
  322  298-0.0172( 0.04-0.03-0.04) -1731.22  107.69  2.82 -1611.41 2.31722  3'31
  323  298-0.0194( 0.05-0.04-0.05) -1731.22  107.68  2.82 -1611.41 2.31728  3'31
  324  298-0.0214( 0.05-0.05-0.05) -1731.21  107.67  2.82 -1611.42 2.31734  3'31
  325  298-0.0235( 0.06-0.05-0.06) -1731.21  107.67  2.82 -1611.42 2.31740  3'31
      Msd:   0.116(O)   0.121(M)   0.359(H)   0.000( )   0.000( )    73.2(    5479)
  326  298-0.0257( 0.06-0.06-0.06) -1731.21  107.66  2.83 -1611.42 2.31745  3'31
  327  298-0.0277( 0.07-0.07-0.07) -1731.21  107.66  2.83 -1611.43 2.31750  3'31
  328  298-0.0300( 0.07-0.08-0.07) -1731.20  107.65  2.83 -1611.43 2.31755  3'32
  329  298-0.0316( 0.08-0.08-0.07) -1731.20  107.65  2.83 -1611.43 2.31759  3'32
  330  298-0.0332( 0.08-0.09-0.07) -1731.21  107.65  2.83 -1611.44 2.31763  3'32
      Msd:   0.116(O)   0.120(M)   0.356(H)   0.000( )   0.000( )    73.2(    5464)
  331  298-0.0339( 0.09-0.10-0.07) -1731.22  107.65  2.83 -1611.44 2.31766  3'32
  332  298-0.0334( 0.09-0.10-0.07) -1731.23  107.65  2.83 -1611.44 2.31769  3'32
  333  298-0.0318( 0.10-0.11-0.07) -1731.25  107.66  2.83 -1611.45 2.31772  3'32
  334  298-0.0291( 0.10-0.11-0.07) -1731.28  107.68  2.84 -1611.46 2.31774  3'32
  335  298-0.0252( 0.11-0.11-0.06) -1731.31  107.70  2.84 -1611.47 2.31777  3'32
      Msd:   0.115(O)   0.119(M)   0.352(H)   0.000( )   0.000( )    73.1(    5406)
  336  298-0.0199( 0.11-0.10-0.05) -1731.35  107.73  2.84 -1611.48 2.31779  3'32
  337  298-0.0134( 0.12-0.10-0.04) -1731.40  107.76  2.84 -1611.48 2.31780  3'32
  338  298-0.0069( 0.12-0.09-0.03) -1731.44  107.80  2.85 -1611.49 2.31781  3'32
  339  298-0.0010( 0.13-0.09-0.02) -1731.49  107.83  2.85 -1611.50 2.31781  3'32
  340  298 0.0037( 0.13-0.08-0.02) -1731.53  107.86  2.86 -1611.51 2.31780  3'32
      Msd:   0.115(O)   0.118(M)   0.348(H)   0.000( )   0.000( )    73.1(    5379)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  341  298 0.0080( 0.13-0.08-0.01) -1731.57  107.87  2.86 -1611.52 2.31779  3'32
  342  298 0.0102( 0.13-0.08-0.01) -1731.60  107.88  2.86 -1611.53 2.31778  3'32
  343  299 0.0108( 0.13-0.08-0.01) -1731.63  107.89  2.87 -1611.55 2.31777  3'32
  344  299 0.0096( 0.13-0.08-0.01) -1731.65  107.88  2.87 -1611.57 2.31775  3'32
  345  299 0.0077( 0.13-0.08-0.01) -1731.66  107.87  2.88 -1611.59 2.31774  3'32
      Msd:   0.114(O)   0.117(M)   0.344(H)   0.000( )   0.000( )    73.2(    5386)
  346  299 0.0048( 0.13-0.09-0.01) -1731.68  107.86  2.88 -1611.61 2.31774  3'32
  347  299 0.0012( 0.13-0.09-0.02) -1731.69  107.84  2.88 -1611.63 2.31774  3'32
  348  299-0.0027( 0.13-0.10-0.02) -1731.70  107.83  2.89 -1611.65 2.31774  3'32
  349  299-0.0072( 0.13-0.10-0.03) -1731.70  107.81  2.89 -1611.67 2.31775  3'32
  350  299-0.0123( 0.13-0.11-0.04) -1731.71  107.79  2.90 -1611.69 2.31776  3'32
      Msd:   0.113(O)   0.115(M)   0.340(H)   0.000( )   0.000( )    73.0(    5354)
--------------------------------------------------------------------------------
 Avr   298-0.0215( 0.07-0.07-0.05) -1731.27  107.69  2.83 -1611.44 2.31694
 Std     0 0.0170( 0.05 0.03 0.02)     0.24    0.11  0.03     0.09 0.00100
--------------------------------------------------------------------------------
 Temperatures: O : 374 Mg: 368 H : 187
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
  351  299-0.0167( 0.13-0.12-0.04) -1731.72  107.77  2.90 -1611.71 2.31777  3'33
  352  299-0.0214( 0.13-0.13-0.05) -1731.73  107.76  2.90 -1611.73 2.31779  3'33
  353  299-0.0263( 0.13-0.13-0.06) -1731.74  107.74  2.91 -1611.76 2.31781  3'33
  354  299-0.0301( 0.13-0.14-0.07) -1731.75  107.72  2.91 -1611.78 2.31783  3'33
  355  299-0.0327( 0.14-0.14-0.08) -1731.77  107.70  2.92 -1611.80 2.31785  3'33
      Msd:   0.113(O)   0.114(M)   0.335(H)   0.000( )   0.000( )    72.9(    5307)
  356  299-0.0344( 0.14-0.14-0.08) -1731.79  107.70  2.92 -1611.83 2.31788  3'33
  357  299-0.0355( 0.14-0.14-0.09) -1731.81  107.69  2.92 -1611.86 2.31790  3'33
  358  299-0.0353( 0.14-0.14-0.09) -1731.84  107.70  2.92 -1611.88 2.31793  3'33
  359  299-0.0341( 0.14-0.13-0.09) -1731.88  107.71  2.93 -1611.91 2.31795  3'33
  360  299-0.0326( 0.14-0.13-0.09) -1731.91  107.72  2.93 -1611.93 2.31798  3'33
      Msd:   0.112(O)   0.113(M)   0.330(H)   0.000( )   0.000( )    72.9(    5291)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  361  299-0.0308( 0.13-0.12-0.08) -1731.95  107.73  2.93 -1611.95 2.31801  3'33
  362  299-0.0288( 0.13-0.12-0.08) -1731.98  107.75  2.93 -1611.98 2.31804  3'33
  363  299-0.0272( 0.12-0.12-0.07) -1732.01  107.75  2.93 -1612.00 2.31808  3'33
  364  299-0.0264( 0.11-0.11-0.06) -1732.04  107.76  2.93 -1612.02 2.31812  3'33
  365  299-0.0267( 0.10-0.11-0.06) -1732.06  107.76  2.93 -1612.04 2.31817  3'33
      Msd:   0.111(O)   0.112(M)   0.325(H)   0.000( )   0.000( )    72.6(    5272)
  366  299-0.0283( 0.09-0.11-0.05) -1732.08  107.75  2.93 -1612.06 2.31822  3'33
  367  299-0.0301( 0.08-0.11-0.05) -1732.09  107.74  2.92 -1612.09 2.31829  3'33
  368  299-0.0330( 0.07-0.11-0.04) -1732.10  107.73  2.92 -1612.11 2.31836  3'33
  369  299-0.0367( 0.06-0.12-0.04) -1732.11  107.72  2.92 -1612.14 2.31845  3'33
  370  299-0.0407( 0.05-0.12-0.04) -1732.11  107.71  2.92 -1612.16 2.31855  3'33
      Msd:   0.110(O)   0.111(M)   0.321(H)   0.000( )   0.000( )    72.3(    5265)
  371  299-0.0454( 0.04-0.12-0.04) -1732.12  107.70  2.91 -1612.18 2.31866  3'33
  372  299-0.0502( 0.04-0.13-0.05) -1732.12  107.69  2.91 -1612.20 2.31877  3'33
  373  299-0.0555( 0.03-0.13-0.05) -1732.11  107.67  2.91 -1612.21 2.31889  3'33
  374  299-0.0617( 0.03-0.13-0.06) -1732.11  107.65  2.91 -1612.23 2.31901  3'34
  375  299-0.0677( 0.03-0.14-0.08) -1732.10  107.62  2.91 -1612.24 2.31915  3'34
      Msd:   0.109(O)   0.110(M)   0.317(H)   0.000( )   0.000( )    72.2(    5231)
  376  299-0.0740( 0.02-0.14-0.09) -1732.09  107.59  2.90 -1612.26 2.31928  3'34
  377  299-0.0799( 0.02-0.14-0.10) -1732.08  107.57  2.90 -1612.28 2.31942  3'34
  378  299-0.0850( 0.02-0.14-0.11) -1732.08  107.54  2.90 -1612.30 2.31957  3'34
  379  299-0.0896( 0.02-0.14-0.12) -1732.08  107.52  2.90 -1612.33 2.31971  3'34
  380  299-0.0930( 0.01-0.14-0.13) -1732.09  107.51  2.89 -1612.35 2.31985  3'34
      Msd:   0.107(O)   0.108(M)   0.313(H)   0.000( )   0.000( )    72.0(    5181)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  381  299-0.0954( 0.01-0.14-0.13) -1732.09  107.50  2.89 -1612.37 2.32000  3'34
  382  299-0.0961( 0.00-0.14-0.13) -1732.11  107.50  2.89 -1612.39 2.32016  3'34
  383  299-0.0952(-0.00-0.14-0.13) -1732.13  107.51  2.89 -1612.41 2.32033  3'34
  384  299-0.0935(-0.01-0.14-0.12) -1732.16  107.52  2.88 -1612.43 2.32050  3'34
  385  299-0.0916(-0.02-0.13-0.11) -1732.19  107.54  2.88 -1612.45 2.32068  3'34
      Msd:   0.106(O)   0.107(M)   0.310(H)   0.000( )   0.000( )    72.0(    5217)
  386  299-0.0894(-0.03-0.13-0.09) -1732.21  107.55  2.88 -1612.46 2.32086  3'34
  387  299-0.0879(-0.04-0.13-0.08) -1732.24  107.55  2.87 -1612.48 2.32105  3'34
  388  299-0.0869(-0.05-0.12-0.07) -1732.26  107.56  2.87 -1612.50 2.32125  3'34
  389  299-0.0869(-0.06-0.12-0.06) -1732.29  107.56  2.87 -1612.53 2.32143  3'34
  390  299-0.0881(-0.07-0.13-0.05) -1732.30  107.56  2.86 -1612.55 2.32161  3'34
      Msd:   0.105(O)   0.106(M)   0.308(H)   0.000( )   0.000( )    72.0(    5226)
  391  299-0.0905(-0.08-0.13-0.05) -1732.31  107.55  2.86 -1612.57 2.32179  3'34
  392  299-0.0935(-0.09-0.13-0.04) -1732.32  107.54  2.86 -1612.59 2.32196  3'34
  393  299-0.0974(-0.09-0.14-0.04) -1732.32  107.53  2.85 -1612.61 2.32213  3'34
  394  298-0.1021(-0.10-0.15-0.04) -1732.32  107.52  2.85 -1612.63 2.32229  3'34
  395  298-0.1082(-0.10-0.16-0.05) -1732.31  107.50  2.85 -1612.64 2.32243  3'34
      Msd:   0.104(O)   0.104(M)   0.306(H)   0.000( )   0.000( )    71.9(    5213)
  396  298-0.1152(-0.10-0.17-0.06) -1732.29  107.47  2.84 -1612.66 2.32256  3'34
  397  298-0.1232(-0.10-0.18-0.07) -1732.27  107.44  2.84 -1612.67 2.32270  3'35
  398  299-0.1312(-0.10-0.19-0.09) -1732.25  107.40  2.84 -1612.69 2.32283  3'35
  399  299-0.1387(-0.10-0.19-0.11) -1732.23  107.36  2.84 -1612.70 2.32297  3'35
  400  299-0.1458(-0.10-0.20-0.12) -1732.22  107.33  2.84 -1612.72 2.32310  3'35
      Msd:   0.102(O)   0.103(M)   0.305(H)   0.000( )   0.000( )    72.0(    5287)
--------------------------------------------------------------------------------
 Avr   299-0.0673( 0.03-0.14-0.08) -1732.09  107.61  2.89 -1612.25 2.31972
 Std     0 0.0352( 0.09 0.02 0.03)     0.17    0.12  0.03     0.30 0.00175
--------------------------------------------------------------------------------
 Temperatures: O : 366 Mg: 385 H : 188
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  401  299-0.1519(-0.09-0.21-0.14) -1732.20  107.29  2.84 -1612.74 2.32324  3'35
  402  299-0.1566(-0.09-0.21-0.15) -1732.19  107.27  2.84 -1612.76 2.32337  3'35
  403  299-0.1602(-0.09-0.21-0.16) -1732.19  107.25  2.84 -1612.78 2.32350  3'35
  404  298-0.1626(-0.09-0.22-0.17) -1732.19  107.24  2.84 -1612.80 2.32361  3'35
  405  298-0.1651(-0.09-0.22-0.17) -1732.20  107.23  2.84 -1612.81 2.32373  3'35
      Msd:   0.101(O)   0.102(M)   0.305(H)   0.000( )   0.000( )    72.3(    5324)
  406  298-0.1657(-0.09-0.22-0.17) -1732.21  107.22  2.84 -1612.83 2.32384  3'35
  407  298-0.1659(-0.10-0.22-0.17) -1732.22  107.22  2.84 -1612.84 2.32396  3'35
  408  298-0.1662(-0.10-0.22-0.16) -1732.23  107.22  2.84 -1612.85 2.32408  3'35
  409  298-0.1665(-0.10-0.22-0.16) -1732.24  107.21  2.84 -1612.87 2.32419  3'35
  410  299-0.1681(-0.11-0.23-0.15) -1732.24  107.20  2.84 -1612.88 2.32431  3'35
      Msd:   0.100(O)   0.100(M)   0.304(H)   0.000( )   0.000( )    72.5(    5346)
  411  299-0.1700(-0.11-0.23-0.15) -1732.25  107.19  2.84 -1612.90 2.32443  3'35
  412  299-0.1731(-0.12-0.24-0.15) -1732.25  107.16  2.84 -1612.92 2.32455  3'35
  413  299-0.1770(-0.12-0.25-0.14) -1732.24  107.14  2.84 -1612.93 2.32467  3'35
  414  299-0.1815(-0.12-0.27-0.14) -1732.23  107.11  2.84 -1612.95 2.32480  3'35
  415  299-0.1866(-0.12-0.28-0.14) -1732.22  107.09  2.84 -1612.97 2.32493  3'35
      Msd:   0.099(O)   0.099(M)   0.304(H)   0.000( )   0.000( )    72.6(    5400)
  416  298-0.1924(-0.12-0.30-0.14) -1732.21  107.06  2.84 -1612.99 2.32506  3'35
  417  298-0.1985(-0.11-0.32-0.15) -1732.19  107.03  2.84 -1613.01 2.32520  3'35
  418  298-0.2051(-0.11-0.33-0.16) -1732.17  107.00  2.84 -1613.02 2.32535  3'35
  419  298-0.2114(-0.11-0.34-0.17) -1732.15  106.96  2.84 -1613.03 2.32549  3'35
  420  298-0.2180(-0.10-0.36-0.18) -1732.13  106.93  2.84 -1613.04 2.32565  3'36
      Msd:   0.098(O)   0.097(M)   0.304(H)   0.000( )   0.000( )    72.4(    5365)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  421  298-0.2248(-0.10-0.37-0.19) -1732.10  106.89  2.84 -1613.06 2.32580  3'36
  422  298-0.2304(-0.09-0.37-0.21) -1732.08  106.85  2.84 -1613.07 2.32596  3'36
  423  298-0.2356(-0.09-0.38-0.22) -1732.06  106.81  2.84 -1613.09 2.32613  3'36
  424  298-0.2393(-0.09-0.38-0.24) -1732.05  106.78  2.85 -1613.10 2.32629  3'36
  425  298-0.2419(-0.09-0.37-0.25) -1732.05  106.76  2.85 -1613.12 2.32647  3'36
      Msd:   0.096(O)   0.096(M)   0.304(H)   0.000( )   0.000( )    72.5(    5399)
  426  298-0.2424(-0.09-0.37-0.25) -1732.05  106.75  2.85 -1613.13 2.32664  3'36
  427  298-0.2419(-0.09-0.36-0.25) -1732.06  106.75  2.85 -1613.15 2.32681  3'36
  428  298-0.2399(-0.09-0.36-0.25) -1732.07  106.75  2.85 -1613.16 2.32699  3'36
  429  298-0.2368(-0.09-0.35-0.25) -1732.09  106.77  2.85 -1613.17 2.32717  3'36
  430  298-0.2329(-0.10-0.34-0.24) -1732.11  106.78  2.85 -1613.18 2.32736  3'36
      Msd:   0.095(O)   0.094(M)   0.304(H)   0.000( )   0.000( )    72.3(    5364)
  431  298-0.2290(-0.10-0.34-0.24) -1732.14  106.79  2.85 -1613.18 2.32755  3'36
  432  298-0.2257(-0.10-0.33-0.23) -1732.15  106.80  2.85 -1613.19 2.32775  3'36
  433  298-0.2230(-0.10-0.33-0.22) -1732.17  106.81  2.85 -1613.20 2.32796  3'36
  434  298-0.2213(-0.10-0.33-0.22) -1732.18  106.80  2.85 -1613.21 2.32818  3'36
  435  298-0.2203(-0.10-0.33-0.21) -1732.19  106.80  2.86 -1613.22 2.32838  3'36
      Msd:   0.094(O)   0.093(M)   0.303(H)   0.000( )   0.000( )    72.2(    5453)
  436  298-0.2217(-0.10-0.33-0.21) -1732.19  106.78  2.86 -1613.23 2.32858  3'36
  437  298-0.2246(-0.10-0.34-0.21) -1732.18  106.76  2.85 -1613.25 2.32876  3'36
  438  298-0.2298(-0.11-0.35-0.21) -1732.16  106.74  2.85 -1613.26 2.32892  3'36
  439  298-0.2356(-0.11-0.36-0.22) -1732.13  106.71  2.85 -1613.27 2.32908  3'36
  440  298-0.2414(-0.11-0.37-0.23) -1732.11  106.68  2.85 -1613.28 2.32925  3'36
      Msd:   0.093(O)   0.092(M)   0.302(H)   0.000( )   0.000( )    72.2(    5444)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  441  298-0.2467(-0.11-0.38-0.23) -1732.09  106.65  2.85 -1613.28 2.32942  3'36
  442  298-0.2515(-0.11-0.38-0.24) -1732.07  106.62  2.85 -1613.29 2.32960  3'36
  443  298-0.2554(-0.11-0.39-0.25) -1732.05  106.60  2.85 -1613.29 2.32978  3'37
  444  298-0.2588(-0.12-0.39-0.26) -1732.04  106.57  2.85 -1613.30 2.32996  3'37
  445  298-0.2612(-0.12-0.38-0.27) -1732.03  106.55  2.86 -1613.31 2.33014  3'37
      Msd:   0.092(O)   0.090(M)   0.302(H)   0.000( )   0.000( )    72.4(    5489)
  446  298-0.2628(-0.12-0.38-0.28) -1732.03  106.54  2.86 -1613.32 2.33032  3'37
  447  298-0.2633(-0.12-0.37-0.28) -1732.03  106.53  2.86 -1613.33 2.33051  3'37
  448  298-0.2627(-0.12-0.36-0.29) -1732.04  106.52  2.86 -1613.34 2.33069  3'37
  449  298-0.2612(-0.12-0.35-0.30) -1732.06  106.53  2.86 -1613.36 2.33087  3'37
  450  298-0.2587(-0.12-0.33-0.30) -1732.08  106.53  2.86 -1613.37 2.33106  3'37
      Msd:   0.091(O)   0.089(M)   0.301(H)   0.000( )   0.000( )    72.5(    5512)
--------------------------------------------------------------------------------
 Avr   298-0.2153(-0.10-0.32-0.21) -1732.14  106.88  2.85 -1613.09 2.32681
 Std     0 0.0350( 0.01 0.06 0.05)     0.07    0.24  0.01     0.18 0.00236
--------------------------------------------------------------------------------
 Temperatures: O : 358 Mg: 389 H : 193
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
  451  298-0.2562(-0.12-0.32-0.31) -1732.10  106.54  2.86 -1613.38 2.33123  3'37
  452  298-0.2538(-0.12-0.31-0.31) -1732.11  106.55  2.87 -1613.39 2.33142  3'37
  453  298-0.2519(-0.12-0.30-0.31) -1732.13  106.56  2.87 -1613.40 2.33162  3'37
  454  298-0.2505(-0.12-0.29-0.32) -1732.14  106.57  2.87 -1613.40 2.33182  3'37
  455  298-0.2503(-0.12-0.29-0.33) -1732.14  106.56  2.87 -1613.41 2.33203  3'37
      Msd:   0.090(O)   0.088(M)   0.299(H)   0.000( )   0.000( )    72.5(    5528)
  456  298-0.2516(-0.12-0.28-0.34) -1732.14  106.55  2.87 -1613.41 2.33226  3'37
  457  298-0.2540(-0.12-0.28-0.35) -1732.13  106.53  2.88 -1613.42 2.33249  3'37
  458  298-0.2574(-0.12-0.28-0.35) -1732.11  106.51  2.88 -1613.42 2.33270  3'37
  459  298-0.2640(-0.12-0.29-0.37) -1732.08  106.47  2.88 -1613.43 2.33289  3'37
  460  298-0.2721(-0.13-0.29-0.38) -1732.03  106.42  2.88 -1613.43 2.33308  3'37
      Msd:   0.088(O)   0.087(M)   0.298(H)   0.000( )   0.000( )    72.3(    5474)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  461  297-0.2801(-0.13-0.30-0.39) -1731.99  106.38  2.88 -1613.44 2.33327  3'37
  462  297-0.2877(-0.14-0.31-0.40) -1731.95  106.34  2.88 -1613.44 2.33348  3'37
  463  297-0.2935(-0.14-0.32-0.40) -1731.91  106.30  2.89 -1613.43 2.33368  3'37
  464  297-0.2981(-0.15-0.33-0.40) -1731.87  106.28  2.89 -1613.43 2.33389  3'37
  465  297-0.3005(-0.15-0.34-0.40) -1731.85  106.26  2.89 -1613.42 2.33410  3'37
      Msd:   0.087(O)   0.086(M)   0.298(H)   0.000( )   0.000( )    72.3(    5537)
  466  297-0.3011(-0.15-0.34-0.39) -1731.83  106.25  2.89 -1613.41 2.33431  3'38
  467  297-0.3002(-0.15-0.35-0.38) -1731.82  106.25  2.90 -1613.40 2.33452  3'38
  468  297-0.2976(-0.15-0.35-0.37) -1731.82  106.25  2.90 -1613.39 2.33473  3'38
  469  297-0.2930(-0.15-0.35-0.36) -1731.82  106.27  2.90 -1613.38 2.33497  3'38
  470  297-0.2857(-0.15-0.34-0.35) -1731.85  106.29  2.90 -1613.38 2.33524  3'38
      Msd:   0.086(O)   0.084(M)   0.297(H)   0.000( )   0.000( )    72.3(    5576)
  471  297-0.2756(-0.14-0.33-0.33) -1731.88  106.33  2.91 -1613.37 2.33554  3'38
  472  297-0.2631(-0.13-0.32-0.32) -1731.93  106.39  2.91 -1613.36 2.33587  3'38
  473  297-0.2486(-0.12-0.31-0.30) -1731.99  106.45  2.91 -1613.35 2.33623  3'38
  474  297-0.2335(-0.11-0.30-0.28) -1732.05  106.52  2.91 -1613.35 2.33662  3'38
  475  297-0.2177(-0.09-0.28-0.26) -1732.11  106.59  2.91 -1613.34 2.33705  3'38
      Msd:   0.085(O)   0.083(M)   0.296(H)   0.000( )   0.000( )    72.4(    5560)
  476  297-0.2024(-0.08-0.27-0.24) -1732.17  106.67  2.91 -1613.33 2.33751  3'38
  477  297-0.1881(-0.06-0.25-0.23) -1732.23  106.73  2.92 -1613.32 2.33800  3'38
  478  297-0.1753(-0.05-0.24-0.22) -1732.29  106.79  2.92 -1613.31 2.33853  3'38
  479  297-0.1635(-0.04-0.22-0.21) -1732.34  106.84  2.92 -1613.30 2.33910  3'38
  480  297-0.1528(-0.03-0.21-0.21) -1732.38  106.89  2.92 -1613.29 2.33972  3'38
      Msd:   0.083(O)   0.082(M)   0.294(H)   0.000( )   0.000( )    72.6(    5569)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  481  297-0.1429(-0.02-0.19-0.20) -1732.43  106.93  2.93 -1613.29 2.34040  3'38
  482  297-0.1331(-0.02-0.17-0.19) -1732.47  106.97  2.93 -1613.29 2.34112  3'38
  483  297-0.1225(-0.01-0.16-0.18) -1732.53  107.01  2.93 -1613.29 2.34189  3'38
  484  298-0.1109(-0.01-0.14-0.16) -1732.58  107.06  2.94 -1613.29 2.34267  3'38
  485  298-0.1001(-0.01-0.12-0.15) -1732.64  107.11  2.94 -1613.29 2.34337  3'38
      Msd:   0.082(O)   0.081(M)   0.292(H)   0.000( )   0.000( )    72.5(    5565)
  486  298-0.0937(-0.01-0.11-0.14) -1732.67  107.13  2.95 -1613.29 2.34403  3'38
  487  298-0.0899(-0.02-0.10-0.13) -1732.69  107.15  2.95 -1613.30 2.34467  3'38
  488  298-0.0868(-0.02-0.09-0.13) -1732.71  107.16  2.96 -1613.30 2.34528  3'38
  489  298-0.0836(-0.02-0.08-0.13) -1732.74  107.17  2.96 -1613.31 2.34586  3'39
  490  298-0.0791(-0.02-0.08-0.12) -1732.77  107.18  2.96 -1613.32 2.34642  3'39
      Msd:   0.081(O)   0.080(M)   0.290(H)   0.000( )   0.000( )    72.6(    5620)
  491  298-0.0736(-0.02-0.07-0.12) -1732.81  107.20  2.97 -1613.32 2.34694  3'39
  492  298-0.0669(-0.01-0.06-0.11) -1732.85  107.23  2.97 -1613.34 2.34741  3'39
  493  298-0.0595(-0.01-0.05-0.10) -1732.90  107.25  2.97 -1613.35 2.34783  3'39
  494  299-0.0513( 0.00-0.05-0.09) -1732.95  107.29  2.98 -1613.37 2.34819  3'39
  495  299-0.0432( 0.01-0.04-0.08) -1733.01  107.32  2.98 -1613.38 2.34850  3'39
      Msd:   0.079(O)   0.079(M)   0.288(H)   0.000( )   0.000( )    72.7(    5675)
  496  299-0.0353( 0.02-0.04-0.07) -1733.06  107.36  2.98 -1613.40 2.34875  3'39
  497  299-0.0280( 0.02-0.03-0.06) -1733.11  107.39  2.98 -1613.42 2.34894  3'39
  498  298-0.0218( 0.03-0.03-0.05) -1733.16  107.43  2.98 -1613.43 2.34910  3'39
  499  298-0.0175( 0.03-0.03-0.04) -1733.20  107.45  2.97 -1613.45 2.34922  3'39
  500  298-0.0145( 0.03-0.02-0.04) -1733.23  107.47  2.97 -1613.47 2.34933  3'39
      Msd:   0.078(O)   0.079(M)   0.286(H)   0.000( )   0.000( )    72.7(    5720)
--------------------------------------------------------------------------------
 Avr   298-0.1815(-0.07-0.21-0.24) -1732.35  106.77  2.92 -1613.37 2.33916
 Std     0 0.0973( 0.06 0.11 0.12)     0.43    0.40  0.04     0.05 0.00614
--------------------------------------------------------------------------------
 Temperatures: O : 353 Mg: 391 H : 196
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  501  298-0.0136( 0.03-0.02-0.03) -1733.25  107.47  2.97 -1613.48 2.34942  3'39
  502  298-0.0141( 0.03-0.02-0.03) -1733.26  107.47  2.97 -1613.50 2.34952  3'39
  503  298-0.0161( 0.02-0.02-0.03) -1733.26  107.46  2.97 -1613.51 2.34964  3'39
  504  298-0.0192( 0.02-0.02-0.03) -1733.26  107.45  2.96 -1613.53 2.34977  3'39
  505  298-0.0237( 0.01-0.02-0.04) -1733.25  107.42  2.96 -1613.54 2.34990  3'39
      Msd:   0.077(O)   0.078(M)   0.284(H)   0.000( )   0.000( )    72.7(    5683)
  506  298-0.0299(-0.00-0.03-0.04) -1733.23  107.39  2.96 -1613.56 2.35005  3'39
  507  298-0.0373(-0.01-0.04-0.04) -1733.20  107.35  2.96 -1613.57 2.35022  3'39
  508  298-0.0453(-0.02-0.04-0.05) -1733.17  107.31  2.96 -1613.58 2.35039  3'39
  509  298-0.0537(-0.03-0.06-0.06) -1733.13  107.26  2.96 -1613.59 2.35056  3'39
  510  298-0.0624(-0.04-0.07-0.06) -1733.09  107.22  2.96 -1613.60 2.35073  3'39
      Msd:   0.076(O)   0.077(M)   0.282(H)   0.000( )   0.000( )    72.7(    5715)
  511  298-0.0711(-0.05-0.08-0.07) -1733.05  107.17  2.96 -1613.61 2.35091  3'39
  512  298-0.0795(-0.05-0.10-0.07) -1733.01  107.13  2.97 -1613.61 2.35107  3'40
  513  298-0.0870(-0.05-0.11-0.08) -1732.97  107.09  2.97 -1613.62 2.35123  3'40
  514  298-0.0937(-0.05-0.13-0.09) -1732.94  107.05  2.97 -1613.62 2.35139  3'40
  515  298-0.0987(-0.04-0.14-0.09) -1732.91  107.02  2.97 -1613.62 2.35155  3'40
      Msd:   0.074(O)   0.076(M)   0.280(H)   0.000( )   0.000( )    72.8(    5808)
  516  298-0.1014(-0.04-0.15-0.09) -1732.89  106.99  2.97 -1613.63 2.35171  3'40
  517  298-0.1024(-0.03-0.16-0.09) -1732.89  106.98  2.98 -1613.63 2.35186  3'40
  518  298-0.1013(-0.03-0.17-0.09) -1732.89  106.98  2.98 -1613.64 2.35202  3'40
  519  298-0.0975(-0.02-0.17-0.09) -1732.91  106.98  2.98 -1613.64 2.35218  3'40
  520  298-0.0922(-0.01-0.16-0.09) -1732.93  107.00  2.99 -1613.65 2.35235  3'40
      Msd:   0.073(O)   0.075(M)   0.278(H)   0.000( )   0.000( )    72.6(    5782)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  521  298-0.0849(-0.00-0.15-0.08) -1732.97  107.03  2.99 -1613.65 2.35254  3'40
  522  298-0.0762( 0.01-0.14-0.07) -1733.01  107.07  2.99 -1613.65 2.35273  3'40
  523  298-0.0672( 0.01-0.13-0.07) -1733.05  107.10  3.00 -1613.66 2.35291  3'40
  524  298-0.0596( 0.02-0.12-0.06) -1733.09  107.13  3.00 -1613.66 2.35308  3'40
  525  298-0.0544( 0.02-0.10-0.06) -1733.11  107.15  3.00 -1613.66 2.35324  3'40
      Msd:   0.072(O)   0.075(M)   0.275(H)   0.000( )   0.000( )    72.7(    5758)
  526  298-0.0514( 0.02-0.09-0.06) -1733.13  107.15  3.01 -1613.67 2.35338  3'40
  527  298-0.0514( 0.02-0.09-0.07) -1733.14  107.14  3.01 -1613.68 2.35353  3'40
  528  298-0.0532( 0.02-0.08-0.08) -1733.13  107.12  3.01 -1613.69 2.35369  3'40
  529  298-0.0562( 0.02-0.08-0.08) -1733.12  107.09  3.02 -1613.70 2.35388  3'40
  530  298-0.0601( 0.01-0.09-0.09) -1733.11  107.06  3.02 -1613.71 2.35406  3'40
      Msd:   0.071(O)   0.074(M)   0.272(H)   0.000( )   0.000( )    72.5(    5750)
  531  298-0.0652( 0.01-0.09-0.10) -1733.09  107.02  3.03 -1613.72 2.35425  3'40
  532  298-0.0714( 0.01-0.10-0.11) -1733.07  106.98  3.03 -1613.74 2.35445  3'40
  533  298-0.0780( 0.01-0.11-0.11) -1733.05  106.94  3.04 -1613.75 2.35466  3'40
  534  298-0.0840( 0.01-0.12-0.12) -1733.03  106.90  3.04 -1613.77 2.35487  3'40
  535  298-0.0896( 0.01-0.13-0.13) -1733.02  106.86  3.05 -1613.78 2.35507  3'41
      Msd:   0.070(O)   0.073(M)   0.269(H)   0.000( )   0.000( )    72.4(    5737)
  536  299-0.0954( 0.01-0.14-0.13) -1733.00  106.82  3.06 -1613.80 2.35525  3'41
  537  299-0.1010( 0.01-0.15-0.14) -1732.99  106.78  3.06 -1613.81 2.35542  3'41
  538  299-0.1059( 0.01-0.16-0.15) -1732.98  106.74  3.07 -1613.83 2.35557  3'41
  539  299-0.1098( 0.01-0.16-0.16) -1732.97  106.71  3.08 -1613.85 2.35570  3'41
  540  299-0.1129( 0.01-0.16-0.17) -1732.98  106.69  3.08 -1613.87 2.35582  3'41
      Msd:   0.069(O)   0.073(M)   0.267(H)   0.000( )   0.000( )    72.4(    5775)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  541  299-0.1145( 0.02-0.16-0.18) -1732.99  106.67  3.09 -1613.90 2.35593  3'41
  542  299-0.1141( 0.02-0.15-0.19) -1733.01  106.66  3.09 -1613.92 2.35604  3'41
  543  299-0.1123( 0.02-0.15-0.20) -1733.03  106.67  3.10 -1613.94 2.35615  3'41
  544  299-0.1094( 0.03-0.14-0.20) -1733.06  106.67  3.10 -1613.96 2.35624  3'41
  545  299-0.1064( 0.03-0.13-0.20) -1733.10  106.68  3.10 -1613.98 2.35633  3'41
      Msd:   0.068(O)   0.072(M)   0.264(H)   0.000( )   0.000( )    72.4(    5874)
  546  299-0.1038( 0.03-0.12-0.21) -1733.12  106.69  3.11 -1614.00 2.35641  3'41
  547  299-0.1021( 0.03-0.11-0.21) -1733.15  106.70  3.11 -1614.02 2.35649  3'41
  548  298-0.1018( 0.03-0.10-0.22) -1733.16  106.69  3.11 -1614.03 2.35657  3'41
  549  298-0.1027( 0.03-0.09-0.22) -1733.17  106.68  3.12 -1614.05 2.35665  3'41
  550  298-0.1055( 0.02-0.09-0.23) -1733.16  106.66  3.12 -1614.06 2.35674  3'41
      Msd:   0.067(O)   0.071(M)   0.261(H)   0.000( )   0.000( )    72.4(    5850)
--------------------------------------------------------------------------------
 Avr   298-0.0768( 0.00-0.11-0.11) -1733.07  107.01  3.02 -1613.72 2.35328
 Std     0 0.0297( 0.02 0.04 0.06)     0.10    0.25  0.05     0.16 0.00233
--------------------------------------------------------------------------------
 Temperatures: O : 363 Mg: 377 H : 194
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
  551  298-0.1095( 0.02-0.09-0.24) -1733.15  106.63  3.12 -1614.08 2.35684  3'41
  552  298-0.1143( 0.01-0.08-0.25) -1733.13  106.60  3.13 -1614.09 2.35695  3'41
  553  298-0.1201(-0.00-0.08-0.25) -1733.11  106.56  3.13 -1614.11 2.35705  3'41
  554  298-0.1271(-0.01-0.09-0.26) -1733.08  106.52  3.13 -1614.12 2.35714  3'41
  555  298-0.1356(-0.03-0.09-0.27) -1733.03  106.47  3.14 -1614.13 2.35724  3'41
      Msd:   0.066(O)   0.070(M)   0.260(H)   0.000( )   0.000( )    72.4(    5797)
  556  298-0.1435(-0.04-0.09-0.28) -1732.99  106.43  3.14 -1614.13 2.35734  3'41
  557  297-0.1505(-0.05-0.09-0.29) -1732.95  106.39  3.15 -1614.13 2.35745  3'41
  558  297-0.1563(-0.06-0.10-0.30) -1732.92  106.36  3.15 -1614.13 2.35756  3'41
  559  297-0.1611(-0.06-0.10-0.30) -1732.88  106.33  3.15 -1614.12 2.35767  3'42
  560  297-0.1645(-0.06-0.10-0.31) -1732.86  106.31  3.16 -1614.12 2.35779  3'42
      Msd:   0.066(O)   0.070(M)   0.258(H)   0.000( )   0.000( )    72.6(    5784)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  561  297-0.1663(-0.07-0.10-0.32) -1732.84  106.29  3.16 -1614.11 2.35791  3'42
  562  297-0.1661(-0.06-0.09-0.32) -1732.82  106.29  3.16 -1614.10 2.35803  3'42
  563  297-0.1642(-0.06-0.09-0.32) -1732.82  106.29  3.17 -1614.09 2.35816  3'42
  564  297-0.1609(-0.06-0.08-0.32) -1732.82  106.30  3.17 -1614.08 2.35829  3'42
  565  297-0.1557(-0.05-0.08-0.32) -1732.83  106.32  3.17 -1614.07 2.35844  3'42
      Msd:   0.065(O)   0.069(M)   0.257(H)   0.000( )   0.000( )    72.7(    5821)
  566  297-0.1482(-0.04-0.07-0.32) -1732.85  106.36  3.17 -1614.06 2.35860  3'42
  567  296-0.1394(-0.03-0.06-0.31) -1732.87  106.40  3.17 -1614.05 2.35878  3'42
  568  296-0.1295(-0.02-0.05-0.30) -1732.90  106.45  3.17 -1614.03 2.35897  3'42
  569  296-0.1188(-0.02-0.03-0.29) -1732.94  106.50  3.17 -1614.01 2.35917  3'42
  570  296-0.1085(-0.01-0.02-0.27) -1732.96  106.55  3.17 -1614.00 2.35938  3'42
      Msd:   0.064(O)   0.068(M)   0.256(H)   0.000( )   0.000( )    72.4(    5786)
  571  296-0.0989(-0.01-0.01-0.26) -1732.99  106.59  3.17 -1613.98 2.35961  3'42
  572  296-0.0905(-0.01-0.00-0.24) -1733.01  106.63  3.17 -1613.96 2.35985  3'42
  573  296-0.0838(-0.01 0.01-0.23) -1733.03  106.66  3.17 -1613.94 2.36008  3'42
  574  297-0.0799(-0.01 0.01-0.22) -1733.03  106.67  3.17 -1613.93 2.36029  3'42
  575  297-0.0796(-0.02 0.01-0.21) -1733.01  106.66  3.17 -1613.91 2.36049  3'42
      Msd:   0.064(O)   0.067(M)   0.255(H)   0.000( )   0.000( )    72.3(    5773)
  576  297-0.0820(-0.03 0.01-0.21) -1732.99  106.65  3.17 -1613.90 2.36071  3'42
  577  297-0.0843(-0.04 0.01-0.21) -1732.96  106.63  3.17 -1613.89 2.36095  3'42
  578  297-0.0863(-0.04 0.01-0.21) -1732.94  106.62  3.17 -1613.88 2.36120  3'42
  579  297-0.0868(-0.05 0.01-0.20) -1732.93  106.62  3.17 -1613.87 2.36144  3'42
  580  297-0.0875(-0.05 0.00-0.20) -1732.92  106.62  3.17 -1613.86 2.36169  3'42
      Msd:   0.063(O)   0.067(M)   0.255(H)   0.000( )   0.000( )    72.5(    5811)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  581  297-0.0864(-0.04-0.00-0.19) -1732.92  106.62  3.17 -1613.85 2.36196  3'42
  582  297-0.0829(-0.03-0.01-0.19) -1732.93  106.64  3.17 -1613.84 2.36223  3'43
  583  297-0.0778(-0.02-0.01-0.18) -1732.95  106.66  3.17 -1613.84 2.36249  3'43
  584  297-0.0712(-0.01-0.01-0.17) -1732.99  106.69  3.17 -1613.83 2.36274  3'43
  585  297-0.0632( 0.01-0.02-0.16) -1733.03  106.73  3.17 -1613.83 2.36295  3'43
      Msd:   0.063(O)   0.066(M)   0.255(H)   0.000( )   0.000( )    72.5(    5866)
  586  298-0.0560( 0.03-0.02-0.16) -1733.06  106.77  3.17 -1613.83 2.36314  3'43
  587  298-0.0494( 0.04-0.02-0.15) -1733.10  106.80  3.17 -1613.83 2.36329  3'43
  588  298-0.0426( 0.06-0.02-0.15) -1733.14  106.84  3.17 -1613.84 2.36341  3'43
  589  298-0.0363( 0.08-0.02-0.14) -1733.17  106.87  3.17 -1613.84 2.36351  3'43
  590  298-0.0304( 0.09-0.02-0.14) -1733.21  106.90  3.17 -1613.84 2.36359  3'43
      Msd:   0.063(O)   0.065(M)   0.255(H)   0.000( )   0.000( )    72.4(    5842)
  591  298-0.0254( 0.10-0.02-0.13) -1733.23  106.93  3.16 -1613.84 2.36366  3'43
  592  298-0.0214( 0.11-0.03-0.12) -1733.26  106.96  3.16 -1613.85 2.36371  3'43
  593  298-0.0187( 0.11-0.03-0.12) -1733.27  106.97  3.16 -1613.85 2.36375  3'43
  594  298-0.0175( 0.11-0.03-0.11) -1733.28  106.98  3.16 -1613.85 2.36379  3'43
  595  298-0.0166( 0.11-0.03-0.10) -1733.29  106.99  3.16 -1613.85 2.36384  3'43
      Msd:   0.062(O)   0.064(M)   0.255(H)   0.000( )   0.000( )    72.3(    5751)
  596  298-0.0166( 0.10-0.03-0.09) -1733.29  106.99  3.16 -1613.85 2.36388  3'43
  597  298-0.0175( 0.09-0.04-0.09) -1733.29  106.99  3.15 -1613.85 2.36393  3'43
  598  298-0.0187( 0.08-0.04-0.08) -1733.29  106.98  3.15 -1613.86 2.36398  3'43
  599  298-0.0195( 0.08-0.04-0.07) -1733.29  106.98  3.15 -1613.86 2.36404  3'43
  600  298-0.0203( 0.07-0.05-0.06) -1733.29  106.98  3.15 -1613.87 2.36411  3'43
      Msd:   0.062(O)   0.063(M)   0.255(H)   0.000( )   0.000( )    72.5(    5802)
--------------------------------------------------------------------------------
 Avr   297-0.0898( 0.00-0.04-0.21) -1733.04  106.64  3.16 -1613.96 2.36066
 Std     0 0.0500( 0.06 0.04 0.08)     0.15    0.23  0.01     0.11 0.00253
--------------------------------------------------------------------------------
 Temperatures: O : 361 Mg: 374 H : 195
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  601  297-0.0208( 0.06-0.05-0.06) -1733.29  106.99  3.15 -1613.87 2.36418  3'43
  602  297-0.0205( 0.06-0.05-0.05) -1733.30  107.00  3.14 -1613.87 2.36425  3'43
  603  297-0.0200( 0.06-0.05-0.05) -1733.30  107.01  3.14 -1613.87 2.36433  3'43
  604  297-0.0188( 0.06-0.05-0.05) -1733.31  107.03  3.14 -1613.86 2.36440  3'43
  605  297-0.0175( 0.06-0.05-0.05) -1733.32  107.04  3.14 -1613.86 2.36447  3'44
      Msd:   0.062(O)   0.062(M)   0.256(H)   0.000( )   0.000( )    72.4(    5764)
  606  297-0.0162( 0.07-0.05-0.05) -1733.32  107.06  3.13 -1613.85 2.36454  3'44
  607  297-0.0148( 0.07-0.05-0.05) -1733.33  107.07  3.13 -1613.85 2.36459  3'44
  608  297-0.0136( 0.08-0.05-0.05) -1733.33  107.08  3.13 -1613.84 2.36464  3'44
  609  297-0.0123( 0.08-0.04-0.06) -1733.34  107.09  3.13 -1613.84 2.36468  3'44
  610  297-0.0111( 0.09-0.04-0.06) -1733.34  107.09  3.12 -1613.84 2.36472  3'44
      Msd:   0.062(O)   0.061(M)   0.256(H)   0.000( )   0.000( )    72.3(    5729)
  611  297-0.0098( 0.09-0.04-0.06) -1733.34  107.10  3.12 -1613.83 2.36475  3'44
  612  297-0.0080( 0.09-0.04-0.06) -1733.34  107.12  3.12 -1613.83 2.36478  3'44
  613  297-0.0059( 0.09-0.04-0.05) -1733.35  107.13  3.12 -1613.82 2.36480  3'44
  614  297-0.0037( 0.09-0.04-0.04) -1733.35  107.15  3.11 -1613.82 2.36482  3'44
  615  297-0.0019( 0.08-0.03-0.03) -1733.35  107.16  3.11 -1613.81 2.36483  3'44
      Msd:   0.061(O)   0.061(M)   0.256(H)   0.000( )   0.000( )    72.4(    5725)
  616  297-0.0008( 0.08-0.03-0.02) -1733.35  107.17  3.11 -1613.80 2.36483  3'44
  617  297-0.0005( 0.07-0.03-0.02) -1733.34  107.18  3.11 -1613.79 2.36483  3'44
  618  297-0.0014( 0.06-0.03-0.01) -1733.33  107.18  3.10 -1613.77 2.36485  3'44
  619  297-0.0027( 0.05-0.03-0.01) -1733.31  107.18  3.10 -1613.76 2.36487  3'44
  620  297-0.0051( 0.04-0.03-0.01) -1733.29  107.16  3.10 -1613.75 2.36490  3'44
      Msd:   0.061(O)   0.060(M)   0.256(H)   0.000( )   0.000( )    72.5(    5724)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  621  297-0.0073( 0.04-0.03-0.01) -1733.27  107.15  3.10 -1613.74 2.36495  3'44
  622  297-0.0089( 0.03-0.03-0.01) -1733.25  107.15  3.10 -1613.73 2.36502  3'44
  623  297-0.0100( 0.03-0.03-0.01) -1733.24  107.14  3.10 -1613.73 2.36509  3'44
  624  297-0.0104( 0.03-0.02-0.02) -1733.23  107.14  3.09 -1613.72 2.36517  3'44
  625  297-0.0100( 0.03-0.02-0.02) -1733.22  107.14  3.09 -1613.71 2.36523  3'44
      Msd:   0.061(O)   0.059(M)   0.256(H)   0.000( )   0.000( )    72.5(    5692)
  626  297-0.0093( 0.03-0.01-0.03) -1733.21  107.15  3.09 -1613.70 2.36529  3'44
  627  297-0.0081( 0.03-0.01-0.03) -1733.21  107.15  3.10 -1613.69 2.36534  3'44
  628  297-0.0070( 0.03-0.00-0.03) -1733.20  107.15  3.10 -1613.68 2.36538  3'45
  629  297-0.0062( 0.03 0.01-0.04) -1733.19  107.15  3.10 -1613.67 2.36542  3'45
  630  297-0.0053( 0.03 0.01-0.04) -1733.18  107.14  3.10 -1613.66 2.36545  3'45
      Msd:   0.061(O)   0.058(M)   0.255(H)   0.000( )   0.000( )    72.6(    5773)
  631  297-0.0051( 0.03 0.02-0.05) -1733.17  107.14  3.10 -1613.65 2.36547  3'45
  632  297-0.0052( 0.03 0.02-0.05) -1733.15  107.13  3.11 -1613.64 2.36550  3'45
  633  297-0.0060( 0.03 0.02-0.05) -1733.14  107.12  3.11 -1613.63 2.36553  3'45
  634  297-0.0063( 0.02 0.02-0.04) -1733.12  107.11  3.11 -1613.63 2.36557  3'45
  635  297-0.0065( 0.02 0.02-0.04) -1733.11  107.10  3.11 -1613.62 2.36561  3'45
      Msd:   0.061(O)   0.058(M)   0.255(H)   0.000( )   0.000( )    72.5(    5797)
  636  297-0.0068( 0.02 0.01-0.03) -1733.09  107.09  3.12 -1613.61 2.36566  3'45
  637  297-0.0083( 0.01 0.00-0.02) -1733.07  107.07  3.12 -1613.61 2.36572  3'45
  638  297-0.0099( 0.01-0.01-0.01) -1733.05  107.06  3.12 -1613.60 2.36579  3'45
  639  297-0.0123( 0.01-0.02-0.01) -1733.03  107.04  3.13 -1613.59 2.36588  3'45
  640  297-0.0149( 0.01-0.03-0.01) -1733.01  107.01  3.13 -1613.58 2.36599  3'45
      Msd:   0.060(O)   0.057(M)   0.254(H)   0.000( )   0.000( )    72.6(    5783)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  641  297-0.0171( 0.01-0.03-0.01) -1732.99  106.99  3.13 -1613.58 2.36610  3'45
  642  297-0.0187( 0.01-0.04-0.01) -1732.97  106.97  3.14 -1613.58 2.36621  3'45
  643  298-0.0208( 0.01-0.04-0.01) -1732.96  106.95  3.14 -1613.58 2.36632  3'45
  644  298-0.0226( 0.01-0.04-0.02) -1732.95  106.93  3.14 -1613.58 2.36642  3'45
  645  298-0.0234( 0.02-0.04-0.03) -1732.94  106.91  3.15 -1613.58 2.36651  3'45
      Msd:   0.060(O)   0.056(M)   0.253(H)   0.000( )   0.000( )    72.6(    5824)
  646  298-0.0232( 0.02-0.04-0.03) -1732.94  106.90  3.15 -1613.59 2.36661  3'45
  647  298-0.0222( 0.02-0.03-0.04) -1732.94  106.90  3.15 -1613.59 2.36669  3'45
  648  298-0.0205( 0.02-0.02-0.05) -1732.95  106.90  3.16 -1613.59 2.36676  3'45
  649  298-0.0187( 0.02-0.00-0.06) -1732.96  106.90  3.16 -1613.60 2.36683  3'45
  650  298-0.0168( 0.02 0.01-0.06) -1732.98  106.91  3.16 -1613.61 2.36688  3'45
      Msd:   0.060(O)   0.056(M)   0.252(H)   0.000( )   0.000( )    72.4(    5778)
--------------------------------------------------------------------------------
 Avr   297-0.0115( 0.04-0.02-0.03) -1733.18  107.07  3.12 -1613.71 2.36535
 Std     0 0.0066( 0.03 0.02 0.02)     0.14    0.09  0.02     0.10 0.00073
--------------------------------------------------------------------------------
 Temperatures: O : 342 Mg: 389 H : 206
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
  651  298-0.0155( 0.02 0.02-0.07) -1732.99  106.90  3.16 -1613.61 2.36692  3'46
  652  298-0.0150( 0.02 0.03-0.08) -1732.99  106.90  3.16 -1613.62 2.36696  3'46
  653  298-0.0156( 0.02 0.04-0.09) -1733.00  106.89  3.17 -1613.63 2.36699  3'46
  654  298-0.0168( 0.02 0.05-0.09) -1733.00  106.87  3.17 -1613.64 2.36703  3'46
  655  298-0.0189( 0.01 0.05-0.10) -1732.99  106.86  3.17 -1613.65 2.36707  3'46
      Msd:   0.060(O)   0.055(M)   0.250(H)   0.000( )   0.000( )    72.5(    5853)
  656  298-0.0220( 0.01 0.05-0.10) -1732.99  106.84  3.17 -1613.67 2.36712  3'46
  657  298-0.0249( 0.00 0.04-0.10) -1732.98  106.82  3.17 -1613.68 2.36718  3'46
  658  298-0.0287(-0.00 0.03-0.10) -1732.97  106.79  3.17 -1613.69 2.36725  3'46
  659  298-0.0328(-0.01 0.02-0.09) -1732.96  106.77  3.17 -1613.70 2.36733  3'46
  660  298-0.0366(-0.01 0.01-0.09) -1732.95  106.75  3.17 -1613.71 2.36743  3'46
      Msd:   0.059(O)   0.055(M)   0.249(H)   0.000( )   0.000( )    72.4(    5857)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  661  298-0.0408(-0.02-0.00-0.08) -1732.93  106.73  3.17 -1613.72 2.36753  3'46
  662  298-0.0453(-0.02-0.02-0.08) -1732.92  106.71  3.17 -1613.73 2.36764  3'46
  663  298-0.0498(-0.03-0.03-0.08) -1732.90  106.68  3.17 -1613.74 2.36776  3'46
  664  298-0.0542(-0.03-0.04-0.08) -1732.89  106.66  3.17 -1613.75 2.36787  3'46
  665  298-0.0591(-0.04-0.04-0.08) -1732.87  106.64  3.17 -1613.76 2.36797  3'46
      Msd:   0.059(O)   0.054(M)   0.248(H)   0.000( )   0.000( )    72.4(    5882)
  666  298-0.0636(-0.04-0.05-0.09) -1732.85  106.61  3.16 -1613.77 2.36806  3'46
  667  298-0.0675(-0.04-0.05-0.10) -1732.84  106.60  3.16 -1613.78 2.36815  3'46
  668  298-0.0699(-0.04-0.04-0.10) -1732.84  106.59  3.16 -1613.78 2.36824  3'46
  669  298-0.0703(-0.04-0.04-0.11) -1732.84  106.59  3.16 -1613.79 2.36833  3'46
  670  298-0.0686(-0.04-0.03-0.12) -1732.85  106.60  3.15 -1613.80 2.36842  3'46
      Msd:   0.058(O)   0.054(M)   0.247(H)   0.000( )   0.000( )    72.3(    5885)
  671  298-0.0652(-0.04-0.02-0.12) -1732.87  106.62  3.15 -1613.80 2.36851  3'46
  672  298-0.0604(-0.04-0.01-0.12) -1732.90  106.65  3.15 -1613.81 2.36860  3'46
  673  298-0.0545(-0.03 0.01-0.12) -1732.93  106.68  3.14 -1613.81 2.36869  3'46
  674  298-0.0481(-0.03 0.02-0.12) -1732.96  106.72  3.14 -1613.81 2.36877  3'47
  675  298-0.0423(-0.02 0.03-0.11) -1732.99  106.75  3.14 -1613.81 2.36884  3'47
      Msd:   0.058(O)   0.054(M)   0.246(H)   0.000( )   0.000( )    72.5(    5909)
  676  298-0.0373(-0.02 0.03-0.11) -1733.02  106.78  3.13 -1613.81 2.36891  3'47
  677  298-0.0333(-0.02 0.04-0.10) -1733.04  106.81  3.13 -1613.81 2.36897  3'47
  678  298-0.0309(-0.02 0.04-0.09) -1733.06  106.83  3.12 -1613.82 2.36903  3'47
  679  298-0.0308(-0.02 0.04-0.09) -1733.06  106.83  3.12 -1613.82 2.36909  3'47
  680  298-0.0320(-0.03 0.03-0.08) -1733.06  106.84  3.11 -1613.82 2.36915  3'47
      Msd:   0.057(O)   0.054(M)   0.245(H)   0.000( )   0.000( )    72.4(    5862)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  681  298-0.0346(-0.03 0.02-0.08) -1733.05  106.83  3.11 -1613.82 2.36922  3'47
  682  298-0.0381(-0.04 0.01-0.07) -1733.04  106.82  3.11 -1613.82 2.36931  3'47
  683  298-0.0421(-0.04-0.00-0.07) -1733.02  106.80  3.11 -1613.82 2.36940  3'47
  684  298-0.0467(-0.04-0.01-0.07) -1733.00  106.78  3.10 -1613.82 2.36949  3'47
  685  298-0.0516(-0.04-0.02-0.07) -1732.99  106.76  3.10 -1613.82 2.36958  3'47
      Msd:   0.057(O)   0.053(M)   0.244(H)   0.000( )   0.000( )    72.1(    5832)
  686  298-0.0563(-0.05-0.03-0.07) -1732.97  106.75  3.10 -1613.83 2.36966  3'47
  687  298-0.0604(-0.05-0.04-0.08) -1732.96  106.73  3.10 -1613.83 2.36974  3'47
  688  298-0.0636(-0.05-0.04-0.08) -1732.96  106.72  3.10 -1613.84 2.36981  3'47
  689  298-0.0654(-0.05-0.04-0.09) -1732.96  106.71  3.10 -1613.84 2.36989  3'47
  690  298-0.0650(-0.05-0.03-0.10) -1732.98  106.72  3.10 -1613.85 2.36997  3'47
      Msd:   0.056(O)   0.053(M)   0.243(H)   0.000( )   0.000( )    72.0(    5730)
  691  298-0.0617(-0.05-0.02-0.10) -1733.01  106.74  3.10 -1613.86 2.37005  3'47
  692  298-0.0562(-0.04-0.01-0.10) -1733.05  106.77  3.10 -1613.87 2.37013  3'47
  693  298-0.0484(-0.04 0.00-0.09) -1733.11  106.81  3.11 -1613.88 2.37022  3'47
  694  298-0.0394(-0.03 0.02-0.09) -1733.17  106.85  3.11 -1613.89 2.37029  3'47
  695  298-0.0301(-0.03 0.03-0.08) -1733.23  106.90  3.11 -1613.90 2.37035  3'47
      Msd:   0.056(O)   0.053(M)   0.241(H)   0.000( )   0.000( )    72.0(    5704)
  696  298-0.0216(-0.02 0.05-0.07) -1733.29  106.95  3.12 -1613.91 2.37039  3'47
  697  298-0.0143(-0.02 0.06-0.07) -1733.34  106.98  3.12 -1613.92 2.37042  3'47
  698  298-0.0087(-0.02 0.07-0.06) -1733.38  107.01  3.13 -1613.94 2.37044  3'48
  699  298-0.0053(-0.02 0.08-0.06) -1733.41  107.02  3.13 -1613.95 2.37045  3'48
  700  298-0.0041(-0.02 0.08-0.06) -1733.43  107.02  3.14 -1613.96 2.37046  3'48
      Msd:   0.055(O)   0.053(M)   0.239(H)   0.000( )   0.000( )    72.0(    5658)
--------------------------------------------------------------------------------
 Avr   298-0.0413(-0.03 0.01-0.09) -1733.02  106.78  3.14 -1613.79 2.36878
 Std     0 0.0189( 0.02 0.04 0.02)     0.14    0.11  0.03     0.09 0.00115
--------------------------------------------------------------------------------
 Temperatures: O : 339 Mg: 397 H : 208
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  701  298-0.0051(-0.02 0.08-0.06) -1733.44  107.01  3.14 -1613.97 2.37047  3'48
  702  298-0.0078(-0.02 0.08-0.06) -1733.44  106.99  3.15 -1613.98 2.37048  3'48
  703  298-0.0114(-0.03 0.07-0.06) -1733.43  106.97  3.16 -1613.99 2.37050  3'48
  704  298-0.0157(-0.03 0.07-0.07) -1733.42  106.94  3.17 -1614.00 2.37053  3'48
  705  298-0.0208(-0.03 0.06-0.08) -1733.40  106.90  3.18 -1614.01 2.37056  3'48
      Msd:   0.055(O)   0.053(M)   0.238(H)   0.000( )   0.000( )    71.9(    5622)
  706  298-0.0249(-0.03 0.05-0.08) -1733.38  106.87  3.19 -1614.02 2.37060  3'48
  707  298-0.0279(-0.02 0.05-0.09) -1733.37  106.84  3.20 -1614.03 2.37065  3'48
  708  298-0.0297(-0.02 0.04-0.09) -1733.37  106.82  3.21 -1614.03 2.37070  3'48
  709  298-0.0300(-0.01 0.04-0.10) -1733.37  106.81  3.22 -1614.04 2.37076  3'48
  710  298-0.0280(-0.01 0.04-0.10) -1733.38  106.81  3.23 -1614.04 2.37081  3'48
      Msd:   0.054(O)   0.053(M)   0.237(H)   0.000( )   0.000( )    72.0(    5659)
  711  298-0.0250(-0.00 0.04-0.10) -1733.40  106.81  3.24 -1614.05 2.37086  3'48
  712  298-0.0202( 0.00 0.05-0.10) -1733.42  106.81  3.25 -1614.05 2.37089  3'48
  713  298-0.0141( 0.01 0.06-0.09) -1733.44  106.83  3.26 -1614.06 2.37092  3'48
  714  298-0.0070( 0.02 0.07-0.08) -1733.48  106.85  3.27 -1614.06 2.37093  3'48
  715  298 0.0006( 0.02 0.08-0.08) -1733.51  106.87  3.28 -1614.06 2.37093  3'48
      Msd:   0.054(O)   0.053(M)   0.235(H)   0.000( )   0.000( )    71.9(    5643)
  716  297 0.0085( 0.03 0.09-0.07) -1733.54  106.90  3.29 -1614.06 2.37092  3'48
  717  297 0.0160( 0.03 0.09-0.06) -1733.57  106.92  3.30 -1614.06 2.37089  3'48
  718  297 0.0229( 0.03 0.10-0.04) -1733.60  106.94  3.31 -1614.06 2.37086  3'48
  719  297 0.0285( 0.03 0.10-0.03) -1733.62  106.96  3.32 -1614.06 2.37083  3'48
  720  297 0.0333( 0.03 0.11-0.02) -1733.63  106.96  3.33 -1614.05 2.37079  3'48
      Msd:   0.053(O)   0.053(M)   0.234(H)   0.000( )   0.000( )    71.9(    5643)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  721  297 0.0362( 0.03 0.10-0.01) -1733.64  106.97  3.34 -1614.05 2.37074  3'49
  722  297 0.0372( 0.03 0.10-0.00) -1733.64  106.96  3.34 -1614.05 2.37069  3'49
  723  297 0.0366( 0.03 0.09 0.00) -1733.63  106.94  3.35 -1614.05 2.37063  3'49
  724  297 0.0342( 0.03 0.08 0.01) -1733.61  106.92  3.35 -1614.05 2.37057  3'49
  725  298 0.0304( 0.03 0.07 0.01) -1733.59  106.90  3.36 -1614.04 2.37051  3'49
      Msd:   0.053(O)   0.053(M)   0.233(H)   0.000( )   0.000( )    71.9(    5687)
  726  298 0.0260( 0.04 0.05 0.01) -1733.57  106.86  3.36 -1614.04 2.37046  3'49
  727  298 0.0209( 0.04 0.04 0.01) -1733.54  106.83  3.37 -1614.05 2.37043  3'49
  728  298 0.0158( 0.04 0.02 0.00) -1733.52  106.81  3.37 -1614.05 2.37040  3'49
  729  298 0.0111( 0.04 0.01-0.00) -1733.50  106.78  3.37 -1614.05 2.37038  3'49
  730  298 0.0068( 0.05-0.00-0.01) -1733.49  106.76  3.37 -1614.05 2.37037  3'49
      Msd:   0.052(O)   0.053(M)   0.232(H)   0.000( )   0.000( )    72.0(    5720)
  731  298 0.0029( 0.05-0.01-0.01) -1733.48  106.75  3.37 -1614.06 2.37036  3'49
  732  298 0.0001( 0.06-0.02-0.02) -1733.47  106.74  3.37 -1614.06 2.37036  3'49
  733  298-0.0023( 0.06-0.03-0.03) -1733.47  106.73  3.37 -1614.07 2.37037  3'49
  734  298-0.0041( 0.07-0.03-0.03) -1733.47  106.72  3.37 -1614.07 2.37037  3'49
  735  298-0.0054( 0.07-0.03-0.04) -1733.47  106.72  3.36 -1614.08 2.37037  3'49
      Msd:   0.052(O)   0.053(M)   0.230(H)   0.000( )   0.000( )    72.1(    5706)
  736  298-0.0065( 0.07-0.03-0.04) -1733.48  106.72  3.36 -1614.09 2.37038  3'49
  737  298-0.0075( 0.07-0.03-0.05) -1733.49  106.73  3.35 -1614.10 2.37038  3'49
  738  298-0.0080( 0.07-0.02-0.05) -1733.50  106.74  3.34 -1614.11 2.37039  3'49
  739  298-0.0085( 0.06-0.02-0.05) -1733.50  106.75  3.34 -1614.11 2.37040  3'49
  740  298-0.0089( 0.06-0.02-0.04) -1733.51  106.76  3.33 -1614.12 2.37041  3'49
      Msd:   0.052(O)   0.053(M)   0.229(H)   0.000( )   0.000( )    72.0(    5653)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  741  298-0.0096( 0.05-0.02-0.04) -1733.52  106.76  3.32 -1614.13 2.37042  3'49
  742  298-0.0112( 0.04-0.03-0.03) -1733.52  106.77  3.32 -1614.13 2.37043  3'49
  743  298-0.0135( 0.03-0.03-0.02) -1733.51  106.77  3.31 -1614.14 2.37045  3'49
  744  298-0.0167( 0.02-0.04-0.02) -1733.51  106.76  3.30 -1614.14 2.37047  3'50
  745  298-0.0205( 0.02-0.05-0.01) -1733.50  106.76  3.29 -1614.15 2.37050  3'50
      Msd:   0.051(O)   0.053(M)   0.228(H)   0.000( )   0.000( )    71.9(    5653)
  746  298-0.0244( 0.01-0.06-0.01) -1733.49  106.75  3.28 -1614.15 2.37053  3'50
  747  298-0.0288( 0.01-0.07-0.01) -1733.47  106.74  3.27 -1614.16 2.37057  3'50
  748  298-0.0332( 0.00-0.08-0.01) -1733.46  106.73  3.27 -1614.16 2.37061  3'50
  749  298-0.0370( 0.00-0.09-0.01) -1733.44  106.72  3.26 -1614.16 2.37065  3'50
  750  298-0.0405( 0.00-0.10-0.01) -1733.43  106.72  3.25 -1614.17 2.37070  3'50
      Msd:   0.051(O)   0.053(M)   0.226(H)   0.000( )   0.000( )    72.0(    5741)
--------------------------------------------------------------------------------
 Avr   298-0.0037( 0.02 0.02-0.04) -1733.49  106.83  3.29 -1614.07 2.37058
 Std     0 0.0214( 0.03 0.06 0.03)     0.07    0.09  0.07     0.05 0.00019
--------------------------------------------------------------------------------
 Temperatures: O : 342 Mg: 382 H : 212
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
  751  297-0.0435( 0.00-0.11-0.01) -1733.42  106.72  3.24 -1614.17 2.37074  3'50
  752  297-0.0459( 0.01-0.11-0.01) -1733.41  106.72  3.24 -1614.16 2.37078  3'50
  753  297-0.0478( 0.01-0.12-0.01) -1733.40  106.72  3.23 -1614.16 2.37082  3'50
  754  297-0.0492( 0.02-0.13-0.02) -1733.39  106.73  3.23 -1614.16 2.37085  3'50
  755  297-0.0504( 0.02-0.13-0.02) -1733.39  106.74  3.22 -1614.15 2.37089  3'50
      Msd:   0.051(O)   0.053(M)   0.226(H)   0.000( )   0.000( )    71.9(    5693)
  756  297-0.0508( 0.02-0.14-0.02) -1733.39  106.74  3.21 -1614.15 2.37092  3'50
  757  297-0.0507( 0.02-0.14-0.02) -1733.39  106.75  3.21 -1614.14 2.37096  3'50
  758  297-0.0500( 0.02-0.14-0.01) -1733.39  106.75  3.21 -1614.14 2.37100  3'50
  759  297-0.0490( 0.02-0.14-0.01) -1733.39  106.76  3.20 -1614.14 2.37104  3'50
  760  297-0.0478( 0.01-0.14 0.00) -1733.39  106.77  3.20 -1614.14 2.37107  3'50
      Msd:   0.051(O)   0.053(M)   0.225(H)   0.000( )   0.000( )    72.0(    5735)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  761  297-0.0463( 0.01-0.14 0.01) -1733.39  106.78  3.20 -1614.13 2.37111  3'50
  762  297-0.0443( 0.00-0.14 0.02) -1733.40  106.79  3.19 -1614.13 2.37115  3'50
  763  297-0.0427(-0.00-0.14 0.03) -1733.40  106.80  3.19 -1614.13 2.37118  3'50
  764  297-0.0414(-0.01-0.14 0.05) -1733.41  106.81  3.19 -1614.13 2.37121  3'50
  765  297-0.0403(-0.02-0.14 0.06) -1733.41  106.81  3.19 -1614.12 2.37124  3'50
      Msd:   0.050(O)   0.053(M)   0.225(H)   0.000( )   0.000( )    72.1(    5769)
  766  297-0.0398(-0.02-0.14 0.06) -1733.41  106.81  3.19 -1614.12 2.37127  3'50
  767  297-0.0394(-0.03-0.14 0.07) -1733.40  106.81  3.18 -1614.12 2.37130  3'51
  768  297-0.0396(-0.03-0.14 0.07) -1733.40  106.81  3.18 -1614.12 2.37132  3'51
  769  298-0.0400(-0.03-0.14 0.07) -1733.40  106.81  3.18 -1614.12 2.37135  3'51
  770  298-0.0404(-0.03-0.14 0.06) -1733.39  106.81  3.18 -1614.12 2.37139  3'51
      Msd:   0.050(O)   0.053(M)   0.224(H)   0.000( )   0.000( )    72.2(    5774)
  771  298-0.0406(-0.02-0.13 0.05) -1733.39  106.80  3.18 -1614.12 2.37143  3'51
  772  298-0.0403(-0.02-0.13 0.04) -1733.39  106.81  3.18 -1614.12 2.37148  3'51
  773  297-0.0391(-0.01-0.13 0.04) -1733.40  106.81  3.18 -1614.12 2.37153  3'51
  774  297-0.0374(-0.00-0.12 0.03) -1733.41  106.82  3.18 -1614.12 2.37159  3'51
  775  297-0.0353( 0.00-0.12 0.02) -1733.42  106.84  3.18 -1614.11 2.37165  3'51
      Msd:   0.050(O)   0.053(M)   0.224(H)   0.000( )   0.000( )    72.3(    5793)
  776  297-0.0322( 0.01-0.11 0.02) -1733.43  106.86  3.18 -1614.11 2.37171  3'51
  777  297-0.0293( 0.01-0.10 0.02) -1733.44  106.88  3.18 -1614.11 2.37177  3'51
  778  297-0.0259( 0.02-0.10 0.02) -1733.46  106.89  3.18 -1614.10 2.37182  3'51
  779  297-0.0233( 0.02-0.10 0.02) -1733.47  106.91  3.18 -1614.10 2.37186  3'51
  780  297-0.0207( 0.02-0.09 0.03) -1733.48  106.92  3.18 -1614.10 2.37190  3'51
      Msd:   0.050(O)   0.053(M)   0.224(H)   0.000( )   0.000( )    72.1(    5750)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  781  297-0.0181( 0.02-0.09 0.03) -1733.49  106.93  3.18 -1614.09 2.37193  3'51
  782  297-0.0155( 0.02-0.09 0.04) -1733.50  106.94  3.18 -1614.09 2.37196  3'51
  783  297-0.0125( 0.02-0.08 0.04) -1733.51  106.95  3.18 -1614.09 2.37199  3'51
  784  297-0.0096( 0.02-0.08 0.05) -1733.52  106.97  3.18 -1614.09 2.37201  3'51
  785  297-0.0064( 0.02-0.08 0.06) -1733.53  106.98  3.19 -1614.08 2.37202  3'51
      Msd:   0.050(O)   0.054(M)   0.224(H)   0.000( )   0.000( )    72.1(    5771)
  786  297-0.0029( 0.02-0.07 0.06) -1733.54  107.00  3.19 -1614.08 2.37202  3'51
  787  297 0.0007( 0.02-0.07 0.07) -1733.56  107.02  3.19 -1614.07 2.37202  3'51
  788  297 0.0048( 0.03-0.06 0.07) -1733.57  107.04  3.19 -1614.06 2.37201  3'51
  789  297 0.0085( 0.03-0.06 0.07) -1733.59  107.06  3.19 -1614.06 2.37200  3'51
  790  297 0.0121( 0.04-0.05 0.06) -1733.60  107.08  3.19 -1614.05 2.37198  3'52
      Msd:   0.050(O)   0.054(M)   0.224(H)   0.000( )   0.000( )    72.1(    5802)
  791  297 0.0157( 0.05-0.04 0.06) -1733.61  107.10  3.19 -1614.04 2.37195  3'52
  792  297 0.0185( 0.06-0.04 0.06) -1733.62  107.11  3.19 -1614.04 2.37191  3'52
  793  297 0.0210( 0.06-0.03 0.05) -1733.63  107.13  3.19 -1614.03 2.37186  3'52
  794  297 0.0228( 0.07-0.03 0.04) -1733.64  107.14  3.19 -1614.03 2.37181  3'52
  795  297 0.0242( 0.07-0.02 0.04) -1733.65  107.15  3.19 -1614.02 2.37175  3'52
      Msd:   0.050(O)   0.054(M)   0.224(H)   0.000( )   0.000( )    72.1(    5774)
  796  297 0.0255( 0.08-0.02 0.04) -1733.66  107.16  3.19 -1614.02 2.37169  3'52
  797  297 0.0258( 0.08-0.02 0.03) -1733.66  107.17  3.19 -1614.01 2.37162  3'52
  798  297 0.0258( 0.08-0.02 0.03) -1733.66  107.18  3.19 -1614.01 2.37155  3'52
  799  297 0.0247( 0.08-0.02 0.03) -1733.66  107.19  3.19 -1614.00 2.37148  3'52
  800  297 0.0231( 0.08-0.02 0.03) -1733.65  107.18  3.19 -1614.00 2.37140  3'52
      Msd:   0.050(O)   0.054(M)   0.224(H)   0.000( )   0.000( )    72.0(    5751)
--------------------------------------------------------------------------------
 Avr   297-0.0207( 0.02-0.10 0.03) -1733.48  106.91  3.19 -1614.10 2.37151
 Std     0 0.0271( 0.03 0.04 0.03)     0.10    0.15  0.02     0.05 0.00040
--------------------------------------------------------------------------------
 Temperatures: O : 352 Mg: 376 H : 203
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  801  297 0.0206( 0.08-0.03 0.03) -1733.64  107.18  3.19 -1613.99 2.37134  3'52
  802  297 0.0178( 0.08-0.03 0.02) -1733.63  107.17  3.19 -1613.99 2.37128  3'52
  803  297 0.0145( 0.07-0.03 0.02) -1733.62  107.16  3.19 -1613.98 2.37123  3'52
  804  297 0.0115( 0.07-0.03 0.01) -1733.60  107.15  3.19 -1613.98 2.37118  3'52
  805  297 0.0087( 0.07-0.03 0.01) -1733.59  107.14  3.18 -1613.98 2.37115  3'52
      Msd:   0.050(O)   0.054(M)   0.226(H)   0.000( )   0.000( )    72.0(    5733)
  806  297 0.0065( 0.07-0.03 0.00) -1733.58  107.14  3.18 -1613.98 2.37113  3'52
  807  297 0.0048( 0.07-0.03-0.00) -1733.58  107.13  3.18 -1613.97 2.37111  3'52
  808  297 0.0042( 0.07-0.03-0.01) -1733.58  107.14  3.18 -1613.97 2.37110  3'52
  809  297 0.0038( 0.07-0.03-0.01) -1733.57  107.14  3.18 -1613.97 2.37108  3'52
  810  297 0.0039( 0.08-0.03-0.02) -1733.57  107.14  3.18 -1613.97 2.37107  3'52
      Msd:   0.050(O)   0.055(M)   0.227(H)   0.000( )   0.000( )    72.0(    5741)
  811  297 0.0044( 0.08-0.03-0.02) -1733.57  107.14  3.18 -1613.96 2.37106  3'52
  812  297 0.0046( 0.08-0.02-0.03) -1733.57  107.15  3.18 -1613.96 2.37105  3'52
  813  297 0.0046( 0.09-0.02-0.03) -1733.57  107.15  3.18 -1613.96 2.37103  3'53
  814  297 0.0043( 0.09-0.02-0.03) -1733.57  107.15  3.18 -1613.96 2.37102  3'53
  815  297 0.0037( 0.09-0.02-0.04) -1733.57  107.15  3.18 -1613.95 2.37102  3'53
      Msd:   0.050(O)   0.055(M)   0.229(H)   0.000( )   0.000( )    72.0(    5714)
  816  297 0.0025( 0.09-0.02-0.04) -1733.56  107.15  3.18 -1613.95 2.37101  3'53
  817  297 0.0009( 0.09-0.02-0.04) -1733.55  107.14  3.18 -1613.95 2.37101  3'53
  818  297-0.0014( 0.08-0.03-0.04) -1733.53  107.13  3.18 -1613.94 2.37101  3'53
  819  297-0.0045( 0.08-0.03-0.04) -1733.52  107.11  3.18 -1613.94 2.37102  3'53
  820  297-0.0081( 0.07-0.04-0.04) -1733.49  107.10  3.18 -1613.94 2.37103  3'53
      Msd:   0.051(O)   0.055(M)   0.232(H)   0.000( )   0.000( )    72.2(    5799)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  821  297-0.0120( 0.07-0.04-0.04) -1733.47  107.08  3.18 -1613.93 2.37105  3'53
  822  297-0.0161( 0.06-0.04-0.05) -1733.44  107.06  3.18 -1613.93 2.37108  3'53
  823  297-0.0209( 0.05-0.05-0.05) -1733.41  107.03  3.18 -1613.92 2.37111  3'53
  824  297-0.0258( 0.04-0.05-0.05) -1733.37  107.01  3.18 -1613.91 2.37115  3'53
  825  297-0.0308( 0.04-0.05-0.06) -1733.34  106.99  3.18 -1613.90 2.37119  3'53
      Msd:   0.051(O)   0.055(M)   0.235(H)   0.000( )   0.000( )    72.2(    5915)
  826  297-0.0360( 0.03-0.06-0.06) -1733.30  106.96  3.17 -1613.89 2.37124  3'53
  827  297-0.0407( 0.03-0.06-0.07) -1733.27  106.94  3.17 -1613.88 2.37128  3'53
  828  297-0.0450( 0.02-0.06-0.08) -1733.23  106.92  3.17 -1613.87 2.37134  3'53
  829  297-0.0485( 0.02-0.06-0.08) -1733.20  106.90  3.17 -1613.86 2.37139  3'53
  830  297-0.0513( 0.01-0.06-0.09) -1733.17  106.88  3.17 -1613.85 2.37145  3'53
      Msd:   0.051(O)   0.055(M)   0.239(H)   0.000( )   0.000( )    72.3(    5922)
  831  297-0.0529( 0.01-0.06-0.09) -1733.15  106.87  3.17 -1613.84 2.37151  3'53
  832  297-0.0537( 0.01-0.05-0.10) -1733.13  106.87  3.17 -1613.83 2.37158  3'53
  833  297-0.0531( 0.00-0.05-0.10) -1733.12  106.86  3.17 -1613.82 2.37165  3'53
  834  297-0.0521( 0.00-0.05-0.10) -1733.10  106.86  3.17 -1613.81 2.37171  3'53
  835  297-0.0505(-0.00-0.04-0.09) -1733.09  106.87  3.17 -1613.79 2.37178  3'53
      Msd:   0.051(O)   0.055(M)   0.242(H)   0.000( )   0.000( )    72.4(    6019)
  836  297-0.0486(-0.00-0.04-0.09) -1733.09  106.87  3.16 -1613.78 2.37185  3'54
  837  297-0.0465(-0.01-0.03-0.08) -1733.08  106.88  3.17 -1613.77 2.37192  3'54
  838  297-0.0450(-0.01-0.03-0.08) -1733.07  106.88  3.16 -1613.76 2.37199  3'54
  839  297-0.0442(-0.01-0.02-0.08) -1733.06  106.88  3.16 -1613.75 2.37206  3'54
  840  297-0.0443(-0.02-0.02-0.08) -1733.05  106.88  3.16 -1613.74 2.37214  3'54
      Msd:   0.052(O)   0.055(M)   0.245(H)   0.000( )   0.000( )    72.1(    5972)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  841  297-0.0452(-0.02-0.02-0.08) -1733.04  106.87  3.16 -1613.73 2.37221  3'54
  842  297-0.0474(-0.02-0.02-0.08) -1733.02  106.86  3.17 -1613.72 2.37229  3'54
  843  297-0.0509(-0.03-0.02-0.09) -1732.99  106.84  3.17 -1613.71 2.37235  3'54
  844  297-0.0558(-0.03-0.02-0.10) -1732.96  106.81  3.17 -1613.70 2.37242  3'54
  845  297-0.0620(-0.03-0.02-0.11) -1732.92  106.78  3.17 -1613.70 2.37248  3'54
      Msd:   0.052(O)   0.055(M)   0.247(H)   0.000( )   0.000( )    72.2(    6019)
  846  297-0.0693(-0.04-0.02-0.13) -1732.88  106.74  3.17 -1613.69 2.37254  3'54
  847  297-0.0777(-0.04-0.03-0.14) -1732.84  106.70  3.17 -1613.69 2.37260  3'54
  848  297-0.0864(-0.05-0.03-0.16) -1732.80  106.66  3.17 -1613.68 2.37266  3'54
  849  297-0.0948(-0.06-0.03-0.18) -1732.76  106.62  3.17 -1613.68 2.37273  3'54
  850  297-0.1023(-0.06-0.04-0.19) -1732.72  106.58  3.17 -1613.68 2.37280  3'54
      Msd:   0.053(O)   0.055(M)   0.249(H)   0.000( )   0.000( )    72.1(    5974)
--------------------------------------------------------------------------------
 Avr   297-0.0280( 0.03-0.03-0.06) -1733.29  106.98  3.17 -1613.86 2.37155
 Std     0 0.0317( 0.05 0.01 0.05)     0.28    0.16  0.01     0.11 0.00057
--------------------------------------------------------------------------------
 Temperatures: O : 346 Mg: 368 H : 213
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
  851  297-0.1085(-0.06-0.04-0.20) -1732.69  106.55  3.18 -1613.68 2.37288  3'54
  852  297-0.1137(-0.07-0.04-0.21) -1732.67  106.52  3.18 -1613.68 2.37296  3'54
  853  298-0.1175(-0.07-0.04-0.22) -1732.65  106.50  3.18 -1613.68 2.37304  3'54
  854  298-0.1198(-0.08-0.04-0.22) -1732.64  106.48  3.18 -1613.68 2.37313  3'54
  855  298-0.1205(-0.08-0.04-0.23) -1732.63  106.47  3.18 -1613.68 2.37322  3'54
      Msd:   0.053(O)   0.055(M)   0.251(H)   0.000( )   0.000( )    72.2(    5993)
  856  298-0.1197(-0.08-0.04-0.22) -1732.63  106.47  3.18 -1613.68 2.37330  3'54
  857  298-0.1170(-0.08-0.04-0.22) -1732.64  106.48  3.19 -1613.69 2.37341  3'54
  858  297-0.1118(-0.07-0.03-0.21) -1732.66  106.49  3.19 -1613.69 2.37352  3'54
  859  297-0.1055(-0.07-0.03-0.20) -1732.69  106.52  3.19 -1613.69 2.37364  3'55
  860  297-0.0974(-0.06-0.03-0.19) -1732.72  106.55  3.20 -1613.68 2.37377  3'55
      Msd:   0.053(O)   0.055(M)   0.251(H)   0.000( )   0.000( )    72.4(    6016)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  861  297-0.0889(-0.04-0.02-0.18) -1732.75  106.58  3.20 -1613.68 2.37391  3'55
  862  297-0.0803(-0.03-0.02-0.17) -1732.78  106.61  3.21 -1613.68 2.37405  3'55
  863  297-0.0717(-0.02-0.01-0.16) -1732.81  106.64  3.22 -1613.67 2.37420  3'55
  864  297-0.0640(-0.01-0.01-0.16) -1732.84  106.67  3.22 -1613.67 2.37436  3'55
  865  297-0.0572( 0.00-0.01-0.15) -1732.86  106.69  3.23 -1613.66 2.37452  3'55
      Msd:   0.054(O)   0.055(M)   0.251(H)   0.000( )   0.000( )    72.6(    6047)
  866  297-0.0511( 0.01-0.00-0.15) -1732.88  106.71  3.23 -1613.66 2.37467  3'55
  867  297-0.0475( 0.02-0.00-0.14) -1732.88  106.72  3.24 -1613.65 2.37482  3'55
  868  297-0.0456( 0.03-0.00-0.14) -1732.88  106.72  3.25 -1613.64 2.37495  3'55
  869  297-0.0459( 0.03-0.00-0.14) -1732.86  106.71  3.25 -1613.63 2.37508  3'55
  870  297-0.0479( 0.02-0.01-0.14) -1732.84  106.69  3.26 -1613.62 2.37521  3'55
      Msd:   0.054(O)   0.055(M)   0.251(H)   0.000( )   0.000( )    72.7(    6062)
  871  297-0.0508( 0.02-0.01-0.14) -1732.81  106.67  3.27 -1613.61 2.37533  3'55
  872  297-0.0540( 0.01-0.01-0.14) -1732.78  106.64  3.27 -1613.60 2.37548  3'55
  873  297-0.0560( 0.00-0.02-0.14) -1732.76  106.62  3.28 -1613.59 2.37562  3'55
  874  297-0.0572(-0.00-0.02-0.13) -1732.74  106.61  3.29 -1613.58 2.37576  3'55
  875  297-0.0576(-0.01-0.02-0.12) -1732.72  106.59  3.29 -1613.57 2.37590  3'55
      Msd:   0.054(O)   0.055(M)   0.251(H)   0.000( )   0.000( )    72.6(    5983)
  876  297-0.0559(-0.02-0.01-0.11) -1732.72  106.59  3.30 -1613.56 2.37605  3'55
  877  297-0.0519(-0.03-0.01-0.10) -1732.73  106.60  3.30 -1613.55 2.37620  3'55
  878  297-0.0456(-0.03-0.00-0.08) -1732.75  106.61  3.31 -1613.54 2.37633  3'55
  879  297-0.0373(-0.03 0.00-0.07) -1732.78  106.64  3.31 -1613.54 2.37646  3'55
  880  297-0.0274(-0.03 0.01-0.05) -1732.82  106.68  3.32 -1613.53 2.37656  3'55
      Msd:   0.055(O)   0.055(M)   0.250(H)   0.000( )   0.000( )    72.7(    6030)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  881  297-0.0170(-0.02 0.02-0.03) -1732.86  106.72  3.32 -1613.53 2.37662  3'55
  882  297-0.0070(-0.01 0.03-0.02) -1732.91  106.77  3.32 -1613.53 2.37665  3'56
  883  297 0.0029( 0.00 0.04-0.01) -1732.95  106.81  3.33 -1613.53 2.37664  3'56
  884  297 0.0109( 0.01 0.05-0.01) -1732.99  106.84  3.33 -1613.53 2.37660  3'56
  885  298 0.0174( 0.02 0.05-0.00) -1733.02  106.87  3.33 -1613.53 2.37653  3'56
      Msd:   0.055(O)   0.056(M)   0.248(H)   0.000( )   0.000( )    72.4(    5936)
  886  298 0.0221( 0.03 0.06-0.01) -1733.04  106.89  3.33 -1613.53 2.37646  3'56
  887  298 0.0252( 0.04 0.06-0.01) -1733.06  106.91  3.33 -1613.53 2.37639  3'56
  888  298 0.0272( 0.05 0.06-0.01) -1733.07  106.91  3.33 -1613.53 2.37632  3'56
  889  298 0.0275( 0.05 0.06-0.02) -1733.08  106.91  3.33 -1613.53 2.37627  3'56
  890  298 0.0260( 0.06 0.06-0.02) -1733.07  106.90  3.33 -1613.54 2.37622  3'56
      Msd:   0.055(O)   0.056(M)   0.245(H)   0.000( )   0.000( )    72.5(    5912)
  891  298 0.0230( 0.06 0.06-0.03) -1733.06  106.89  3.33 -1613.54 2.37617  3'56
  892  298 0.0185( 0.06 0.05-0.03) -1733.05  106.86  3.33 -1613.55 2.37614  3'56
  893  298 0.0130( 0.05 0.04-0.04) -1733.02  106.84  3.33 -1613.55 2.37611  3'56
  894  298 0.0067( 0.04 0.03-0.04) -1733.00  106.81  3.33 -1613.56 2.37609  3'56
  895  298 0.0001( 0.04 0.02-0.04) -1732.97  106.78  3.33 -1613.56 2.37609  3'56
      Msd:   0.055(O)   0.057(M)   0.243(H)   0.000( )   0.000( )    72.5(    5885)
  896  298-0.0058( 0.03 0.02-0.05) -1732.95  106.76  3.33 -1613.57 2.37611  3'56
  897  298-0.0107( 0.02 0.01-0.05) -1732.93  106.74  3.33 -1613.57 2.37614  3'56
  898  298-0.0145( 0.02 0.01-0.05) -1732.92  106.72  3.33 -1613.57 2.37618  3'56
  899  298-0.0168( 0.01 0.01-0.05) -1732.92  106.71  3.33 -1613.58 2.37622  3'56
  900  298-0.0173( 0.01 0.01-0.05) -1732.92  106.71  3.32 -1613.58 2.37627  3'56
      Msd:   0.056(O)   0.057(M)   0.241(H)   0.000( )   0.000( )    72.5(    5863)
--------------------------------------------------------------------------------
 Avr   297-0.0419(-0.00 0.00-0.11) -1732.85  106.69  3.27 -1613.60 2.37529
 Std     0 0.0470( 0.04 0.03 0.07)     0.14    0.13  0.06     0.06 0.00123
--------------------------------------------------------------------------------
 Temperatures: O : 333 Mg: 398 H : 212
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  901  298-0.0163( 0.02 0.01-0.05) -1732.94  106.72  3.32 -1613.59 2.37631  3'56
  902  298-0.0139( 0.02 0.01-0.06) -1732.95  106.74  3.32 -1613.60 2.37633  3'56
  903  298-0.0102( 0.03 0.02-0.06) -1732.98  106.76  3.31 -1613.60 2.37635  3'56
  904  298-0.0054( 0.03 0.03-0.06) -1733.01  106.80  3.31 -1613.61 2.37636  3'56
  905  298 0.0005( 0.04 0.03-0.06) -1733.05  106.84  3.30 -1613.61 2.37636  3'57
      Msd:   0.056(O)   0.057(M)   0.238(H)   0.000( )   0.000( )    72.5(    5855)
  906  298 0.0072( 0.05 0.04-0.05) -1733.08  106.88  3.29 -1613.62 2.37635  3'57
  907  297 0.0144( 0.06 0.05-0.05) -1733.12  106.93  3.29 -1613.62 2.37633  3'57
  908  297 0.0210( 0.07 0.06-0.04) -1733.16  106.98  3.28 -1613.61 2.37631  3'57
  909  297 0.0269( 0.08 0.06-0.04) -1733.19  107.02  3.28 -1613.61 2.37628  3'57
  910  297 0.0310( 0.08 0.06-0.03) -1733.21  107.05  3.27 -1613.60 2.37624  3'57
      Msd:   0.056(O)   0.058(M)   0.236(H)   0.000( )   0.000( )    72.4(    5778)
  911  297 0.0340( 0.09 0.06-0.02) -1733.22  107.08  3.27 -1613.60 2.37620  3'57
  912  297 0.0350( 0.09 0.06-0.02) -1733.22  107.09  3.26 -1613.59 2.37616  3'57
  913  297 0.0341( 0.09 0.05-0.01) -1733.21  107.09  3.26 -1613.58 2.37611  3'57
  914  297 0.0318( 0.08 0.04-0.01) -1733.19  107.09  3.26 -1613.57 2.37606  3'57
  915  297 0.0284( 0.08 0.03-0.00) -1733.16  107.08  3.26 -1613.56 2.37601  3'57
      Msd:   0.056(O)   0.058(M)   0.234(H)   0.000( )   0.000( )    72.2(    5792)
  916  296 0.0244( 0.07 0.02-0.00) -1733.12  107.06  3.25 -1613.54 2.37595  3'57
  917  296 0.0205( 0.07 0.01 0.00) -1733.08  107.05  3.25 -1613.53 2.37590  3'57
  918  296 0.0175( 0.06 0.00 0.01) -1733.05  107.04  3.25 -1613.51 2.37585  3'57
  919  296 0.0152( 0.06-0.00 0.01) -1733.01  107.03  3.25 -1613.49 2.37582  3'57
  920  296 0.0150( 0.05-0.00 0.01) -1732.99  107.03  3.25 -1613.46 2.37578  3'57
      Msd:   0.056(O)   0.059(M)   0.232(H)   0.000( )   0.000( )    72.2(    5817)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  921  296 0.0163( 0.05-0.00 0.02) -1732.97  107.04  3.25 -1613.44 2.37574  3'57
  922  296 0.0192( 0.05 0.00 0.02) -1732.96  107.06  3.24 -1613.41 2.37569  3'57
  923  296 0.0234( 0.05 0.01 0.03) -1732.95  107.08  3.24 -1613.39 2.37564  3'57
  924  296 0.0296( 0.05 0.02 0.04) -1732.96  107.11  3.24 -1613.37 2.37558  3'57
  925  296 0.0378( 0.06 0.03 0.05) -1732.98  107.15  3.24 -1613.34 2.37551  3'57
      Msd:   0.057(O)   0.059(M)   0.231(H)   0.000( )   0.000( )    72.0(    5798)
  926  296 0.0477( 0.06 0.04 0.07) -1733.01  107.20  3.24 -1613.32 2.37544  3'57
  927  296 0.0584( 0.06 0.05 0.09) -1733.04  107.25  3.24 -1613.30 2.37537  3'57
  928  296 0.0700( 0.06 0.06 0.11) -1733.08  107.31  3.23 -1613.28 2.37529  3'58
  929  296 0.0818( 0.07 0.07 0.13) -1733.13  107.37  3.23 -1613.27 2.37521  3'58
  930  296 0.0927( 0.07 0.08 0.15) -1733.17  107.43  3.23 -1613.25 2.37514  3'58
      Msd:   0.057(O)   0.059(M)   0.229(H)   0.000( )   0.000( )    72.0(    5812)
  931  297 0.1024( 0.07 0.09 0.17) -1733.20  107.48  3.23 -1613.23 2.37506  3'58
  932  297 0.1095( 0.07 0.10 0.18) -1733.23  107.51  3.23 -1613.21 2.37498  3'58
  933  297 0.1137( 0.07 0.10 0.19) -1733.24  107.53  3.24 -1613.20 2.37490  3'58
  934  297 0.1144( 0.06 0.10 0.20) -1733.24  107.53  3.24 -1613.19 2.37482  3'58
  935  297 0.1116( 0.06 0.10 0.20) -1733.23  107.51  3.24 -1613.19 2.37472  3'58
      Msd:   0.057(O)   0.059(M)   0.228(H)   0.000( )   0.000( )    71.9(    5797)
  936  298 0.1054( 0.06 0.09 0.19) -1733.20  107.47  3.24 -1613.19 2.37462  3'58
  937  298 0.0964( 0.05 0.08 0.18) -1733.15  107.42  3.25 -1613.19 2.37450  3'58
  938  298 0.0857( 0.05 0.07 0.16) -1733.10  107.37  3.25 -1613.19 2.37439  3'58
  939  298 0.0737( 0.04 0.06 0.14) -1733.05  107.30  3.25 -1613.19 2.37427  3'58
  940  298 0.0620( 0.04 0.05 0.12) -1733.00  107.24  3.25 -1613.20 2.37416  3'58
      Msd:   0.057(O)   0.060(M)   0.227(H)   0.000( )   0.000( )    71.9(    5847)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  941  298 0.0510( 0.04 0.04 0.10) -1732.95  107.19  3.26 -1613.20 2.37406  3'58
  942  298 0.0419( 0.03 0.03 0.08) -1732.92  107.15  3.26 -1613.21 2.37396  3'58
  943  298 0.0353( 0.03 0.02 0.07) -1732.89  107.11  3.26 -1613.22 2.37386  3'58
  944  298 0.0308( 0.02 0.02 0.07) -1732.88  107.09  3.26 -1613.23 2.37376  3'58
  945  298 0.0287( 0.02 0.02 0.07) -1732.88  107.07  3.26 -1613.23 2.37365  3'58
      Msd:   0.057(O)   0.060(M)   0.227(H)   0.000( )   0.000( )    71.8(    5767)
  946  298 0.0284( 0.01 0.02 0.07) -1732.88  107.07  3.26 -1613.25 2.37355  3'58
  947  298 0.0309( 0.01 0.02 0.08) -1732.91  107.07  3.26 -1613.26 2.37346  3'58
  948  298 0.0353( 0.00 0.03 0.10) -1732.94  107.09  3.26 -1613.27 2.37336  3'58
  949  298 0.0418(-0.00 0.04 0.11) -1732.98  107.11  3.26 -1613.29 2.37327  3'58
  950  298 0.0494(-0.01 0.04 0.13) -1733.03  107.15  3.25 -1613.30 2.37317  3'58
      Msd:   0.057(O)   0.060(M)   0.227(H)   0.000( )   0.000( )    71.8(    5711)
--------------------------------------------------------------------------------
 Avr   297 0.0427( 0.05 0.04 0.06) -1733.06  107.14  3.26 -1613.39 2.37520
 Std     0 0.0349( 0.02 0.03 0.08)     0.11    0.21  0.02     0.17 0.00100
--------------------------------------------------------------------------------
 Temperatures: O : 343 Mg: 370 H : 215
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>
  951  298 0.0575(-0.01 0.05 0.15) -1733.07  107.19  3.25 -1613.32 2.37307  3'59
  952  298 0.0652(-0.01 0.06 0.17) -1733.12  107.22  3.25 -1613.33 2.37297  3'59
  953  298 0.0719(-0.01 0.06 0.18) -1733.16  107.26  3.25 -1613.34 2.37287  3'59
  954  298 0.0765(-0.00 0.07 0.19) -1733.19  107.28  3.25 -1613.35 2.37277  3'59
  955  298 0.0786(-0.00 0.07 0.19) -1733.20  107.29  3.26 -1613.35 2.37267  3'59
      Msd:   0.058(O)   0.060(M)   0.227(H)   0.000( )   0.000( )    71.9(    5690)
  956  298 0.0779( 0.00 0.06 0.19) -1733.20  107.29  3.26 -1613.36 2.37256  3'59
  957  298 0.0724( 0.01 0.06 0.17) -1733.18  107.26  3.26 -1613.36 2.37244  3'59
  958  298 0.0645( 0.01 0.05 0.15) -1733.14  107.22  3.26 -1613.37 2.37234  3'59
  959  298 0.0543( 0.02 0.03 0.13) -1733.10  107.17  3.26 -1613.37 2.37225  3'59
  960  298 0.0432( 0.02 0.02 0.11) -1733.04  107.11  3.27 -1613.37 2.37217  3'59
      Msd:   0.058(O)   0.060(M)   0.228(H)   0.000( )   0.000( )    72.0(    5714)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  961  297 0.0315( 0.02 0.01 0.08) -1732.98  107.05  3.27 -1613.37 2.37211  3'59
  962  297 0.0205( 0.02-0.00 0.06) -1732.93  107.00  3.27 -1613.37 2.37207  3'59
  963  297 0.0114( 0.02-0.01 0.05) -1732.88  106.95  3.27 -1613.37 2.37205  3'59
  964  297 0.0041( 0.02-0.02 0.04) -1732.84  106.91  3.28 -1613.37 2.37204  3'59
  965  297-0.0007( 0.01-0.03 0.03) -1732.80  106.88  3.28 -1613.36 2.37204  3'59
      Msd:   0.057(O)   0.060(M)   0.230(H)   0.000( )   0.000( )    71.9(    5725)
  966  297-0.0027( 0.00-0.03 0.04) -1732.79  106.86  3.28 -1613.36 2.37205  3'59
  967  297-0.0025(-0.00-0.03 0.04) -1732.78  106.85  3.28 -1613.35 2.37205  3'59
  968  297 0.0002(-0.01-0.02 0.06) -1732.78  106.86  3.29 -1613.35 2.37205  3'59
  969  297 0.0051(-0.02-0.01 0.07) -1732.80  106.87  3.29 -1613.35 2.37205  3'59
  970  298 0.0122(-0.03-0.00 0.09) -1732.83  106.90  3.29 -1613.35 2.37203  3'59
      Msd:   0.057(O)   0.060(M)   0.231(H)   0.000( )   0.000( )    72.0(    5771)
  971  298 0.0208(-0.03 0.01 0.11) -1732.86  106.93  3.29 -1613.35 2.37200  3'59
  972  298 0.0301(-0.04 0.02 0.13) -1732.91  106.97  3.29 -1613.35 2.37196  3'59
  973  298 0.0399(-0.04 0.03 0.15) -1732.95  107.01  3.29 -1613.35 2.37192  3'59
  974  298 0.0501(-0.04 0.04 0.17) -1733.00  107.06  3.29 -1613.35 2.37187  3'59
  975  298 0.0595(-0.04 0.05 0.19) -1733.05  107.10  3.29 -1613.36 2.37181  4' 0
      Msd:   0.057(O)   0.060(M)   0.233(H)   0.000( )   0.000( )    72.1(    5762)
  976  298 0.0673(-0.03 0.05 0.20) -1733.09  107.14  3.30 -1613.36 2.37175  4' 0
  977  298 0.0728(-0.03 0.06 0.21) -1733.12  107.17  3.30 -1613.36 2.37169  4' 0
  978  298 0.0756(-0.02 0.06 0.21) -1733.13  107.18  3.30 -1613.36 2.37163  4' 0
  979  298 0.0759(-0.02 0.06 0.21) -1733.14  107.18  3.30 -1613.36 2.37156  4' 0
  980  298 0.0715(-0.02 0.05 0.20) -1733.12  107.16  3.30 -1613.36 2.37148  4' 0
      Msd:   0.057(O)   0.060(M)   0.234(H)   0.000( )   0.000( )    72.2(    5820)
== Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)(End=   1000) ==
+  00K steps ----------------------------------------------------------- Hour=16
 STEP Temp  Prss.(  Px   Py   Pz ) U(Coul.) U(srt)  U(3p) E(total) Density mn:sc
  981  298 0.0634(-0.02 0.05 0.18) -1733.09  107.12  3.30 -1613.37 2.37140  4' 0
  982  298 0.0534(-0.02 0.04 0.16) -1733.05  107.07  3.31 -1613.37 2.37134  4' 0
  983  298 0.0418(-0.03 0.03 0.14) -1733.00  107.01  3.31 -1613.37 2.37129  4' 0
  984  298 0.0298(-0.03 0.02 0.12) -1732.95  106.95  3.31 -1613.38 2.37125  4' 0
  985  298 0.0183(-0.04 0.02 0.10) -1732.90  106.90  3.31 -1613.39 2.37122  4' 0
      Msd:   0.057(O)   0.060(M)   0.236(H)   0.000( )   0.000( )    72.1(    5818)
  986  298 0.0081(-0.05 0.01 0.08) -1732.85  106.85  3.31 -1613.39 2.37121  4' 0
  987  298 0.0005(-0.06 0.01 0.07) -1732.82  106.81  3.31 -1613.40 2.37121  4' 0
  988  298-0.0051(-0.08 0.01 0.07) -1732.80  106.79  3.31 -1613.40 2.37121  4' 0
  989  298-0.0079(-0.09 0.02 0.07) -1732.79  106.78  3.31 -1613.40 2.37123  4' 0
  990  298-0.0075(-0.10 0.02 0.07) -1732.80  106.79  3.30 -1613.41 2.37123  4' 0
      Msd:   0.057(O)   0.060(M)   0.237(H)   0.000( )   0.000( )    71.9(    5774)
  991  298-0.0045(-0.11 0.03 0.09) -1732.82  106.81  3.30 -1613.41 2.37124  4' 0
  992  298 0.0005(-0.12 0.03 0.10) -1732.85  106.84  3.29 -1613.41 2.37124  4' 0
  993  298 0.0075(-0.12 0.04 0.12) -1732.89  106.88  3.29 -1613.42 2.37123  4' 0
  994  298 0.0153(-0.13 0.05 0.15) -1732.94  106.93  3.28 -1613.43 2.37122  4' 0
  995  298 0.0235(-0.13 0.05 0.17) -1732.99  106.98  3.28 -1613.43 2.37120  4' 0
      Msd:   0.056(O)   0.060(M)   0.238(H)   0.000( )   0.000( )    72.1(    5758)
  996  298 0.0315(-0.13 0.06 0.19) -1733.04  107.03  3.27 -1613.44 2.37118  4' 0
  997  298 0.0390(-0.14 0.06 0.21) -1733.09  107.07  3.26 -1613.45 2.37115  4' 0
  998  298 0.0453(-0.14 0.06 0.23) -1733.13  107.12  3.25 -1613.46 2.37112  4' 1
  999  298 0.0494(-0.13 0.06 0.24) -1733.17  107.15  3.25 -1613.47 2.37109  4' 1
 1000  298 0.0507(-0.13 0.06 0.24) -1733.19  107.17  3.24 -1613.47 2.37105  4' 1
      Msd:   0.056(O)   0.060(M)   0.238(H)   0.000( )   0.000( )    72.0(    5722)
--------------------------------------------------------------------------------
 Avr   298 0.0351(-0.04 0.03 0.14) -1732.99  107.03  3.28 -1613.38 2.37177
 Std     0 0.0286( 0.05 0.03 0.06)     0.14    0.15  0.02     0.04 0.00055
--------------------------------------------------------------------------------
 Temperatures: O : 327 Mg: 394 H : 220
--------------------------------------------------------------------------------
===============  Files were updated  ============  End=   1000  ===============
<<<= ====  Mg(OH)2 Neutron data  N.Jahr.Minerall.Monatshefte p137(1967)  ====>>>

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    ===== Started at 16: 3:17 on 11/20, finished at 16: 4: 1 on 11/20 =====
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