***********************************************************************************************************************
*                                                                                                                     *
*                                                     EOSFIT7c                                                        *
*                                                                                                                     *
*             Authors: RJ ANGEL, J GONZALEZ-PLATAS, M ALVARO, ML MAZZUCCHELLI                                         *
*        Version date: 13-May-2021                                                                                    *
*             Version:  7.60                                                                                          *
*                                                                                                                     *
*                                                                                                                     *
*        INCLUDING LEAST SQUARES BY I.G. WOOD & J. PIPER AND USING THE CrysFML EOS MODULE.                            *
*                                                                                                                     *
*        EosFit7c: Angel, Gonzalez-Platas, Alvaro (2014) Zeitschrift fuer Kristallographie, 229:405-419.              *
*        Phase Transitions: Angel et al (2017) Contribs Min Pet, DOI:10.1007/s00410-017-1349-x                        *
*        Fitting Moduli: Milani et al. (2017) Amer Min, DOI:10.2138/am-2017-5855                                      *
*                                                                                                                     *
*        Development currently supported by ERC grant 714936, TrueDepths to M. Alvaro, and                            *
*                          Agencia Estatal de Investigacion under                                                     *
*        National Program of Sciences and Technological Materials (PID2019-106383GB-C44) to J. Gonzalez-Platas        *
*        For more information see the help system                                                                     *
*                                                                                                                     *
*                                                                                                                     *
*        Current date and time:  3-OCT-2026 13:52                                                                     *
*                                                                                                                     *
***********************************************************************************************************************

EOSFIT-7.6>

Successfully opened file for macros
Named /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/all-author-rows-gamma-errors/run.mcr

***** Running macro

EOSFIT-7.6>log /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/all-author-rows-gamma-errors/run.log


Successfully opened Log file
Named /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/all-author-rows-gamma-errors/run.log


EOSFIT-7.6>input

*************************************Commands to input or change EoS parameters ***************************************


   Type HELP for a list of commands to change EoS types or parameters


INPUT EOS>load /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/sources/FeS6.eos


Successfully opened file with eos
Named /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/sources/FeS6.eos

 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 12-mars-2024 at 18:44
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  15.3700           :Reference pressure volume: units are cm^3/mol
      K0:  115.490           :Bulk modulus: units are GPa
      Kp:  4.99000           :dK/dP: dimensionless
     Kpp: -0.0507            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   298.00 K
 
   ThMGD:  417.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.42(4)           :Gruneisen parameter at Tref,Pref
       q:  1.00000           :Gruneisen power law in V/V0
 

INPUT EOS>x

*************************************************Exiting from INPUT ***************************************************


EOSFIT-7.6>read /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/sources/FeS6EOSfittot-SataOhfuji.dat


Successfully opened data file
Named /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/sources/FeS6EOSfittot-SataOhfuji.dat



        The title on the file is:
             The data in the file is for:T  ,P  ,V
               with esds in the file for:T  ,P  ,V

Only data available is for V: This will be selected

           The title on the data file is:
           The calculated values are from:

  THE 178 LOADED DATA ARE AS FOLLOWS:

     **********Scale factors in use: Calculated values have been scaled to observed values**********
<-------------------------Observed Values---------------------------><----------------Calculated Values ----------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd
                                                                          GPa                       cm^3/mol
  1  1    29.5964   1.29360   1450.00   150.000   13.6912   0.00301   26.5828   3.01369   2.32969   13.4909   0.20034   66.6062
  2  1    29.6173   1.38320   1530.00   150.000   13.7498   0.00330   26.3702   3.24709   2.34752   13.5297   0.22011   66.7117
  3  1    29.6810   1.47280   1610.00   150.000   13.7994   0.00363   26.3005   3.38059   2.29535   13.5662   0.23316   64.2890
  4  1    29.9049   1.58480   1710.00   150.000   13.8947   0.00426   25.7874   4.11756   2.59816   13.6031   0.29155   68.4916
  5  1    33.1277   1.09200   1270.00   150.000   13.3751   0.00163   30.0517   3.07602   2.81687   13.1944   0.18073   111.151
  6  1    33.2312   1.18160   1350.00   150.000   13.4019   0.00199   30.2366   2.99461   2.53437   13.2239   0.17798   89.3215
  7  1    33.4179   1.31600   1470.00   150.000   13.4595   0.00519   30.2471   3.17083   2.40944   13.2671   0.19234   37.0549
  8  1    33.4179   1.31600   1470.00   150.000   13.4595   0.00519   30.2471   3.17083   2.40944   13.2671   0.19234   37.0549
  9  1    41.6518   1.03600   1220.00   150.000   12.8111   0.00274   40.0639   1.58797   1.53279   12.7353   0.07574   27.5983
 10  1    41.7693   1.15920   1330.00   150.000   12.8350   0.00263   40.4256   1.34371   1.15917   12.7701   0.06487   24.7018
 11  1    41.6736   1.26000   1420.00   150.000   12.8648   0.00241   40.5182   1.15540   0.91698   12.8082   0.05657   23.4871
 12  1    41.9291   1.36080   1510.00   150.000   12.9202   0.00185   40.1130   1.81609   1.33458   12.8298   0.09035   48.7440
 13  1    41.8033   1.43920   1580.00   150.000   12.9554   0.00343   39.9674   1.83591   1.27564   12.8628   0.09262   26.9957
 14  1    41.9176   1.50640   1640.00   150.000   12.9752   0.00226   40.0505   1.86710   1.23944   12.8803   0.09492   42.0433
 15  1    42.1986   1.62960   1750.00   150.000   13.0096   0.00374   40.2489   1.94967   1.19641   12.9092   0.10042   26.8822
 16  1    42.6556   1.78640   1890.00   150.000   13.0418   0.00396   40.7333   1.92233   1.07609   12.9415   0.10034   25.3502
 17  1    45.1681   1.06960   1250.00   150.000   12.6349   0.00424   44.0682   1.09989   1.02832   12.5858   0.04905   11.5747
 18  1    44.9994   1.17040   1340.00   150.000   12.6735   0.00406   43.9159   1.08351   0.92576   12.6244   0.04910   12.0932
 19  1    44.9909   1.24880   1410.00   150.000   12.6937   0.00419   44.0183   0.97262   0.77884   12.6492   0.04449   10.6269
 20  1    44.9010   1.38320   1530.00   150.000   12.7792   0.00235   43.1321   1.76881   1.27878   12.6960   0.08316   35.3595
 21  1    44.8590   1.52880   1660.00   150.000   12.8025   0.00322   43.6593   1.19970   0.78473   12.7452   0.05726   17.7998
 22  1    44.9072   1.64080   1760.00   150.000   12.8579   0.00294   43.3049   1.60224   0.97650   12.7800   0.07791   26.4825
 23  1    44.9390   1.74160   1850.00   150.000   12.9170   0.00362   42.8241   2.11496   1.21438   12.8122   0.10480   28.9650
 24  1    45.0022   1.84240   1940.00   150.000   12.9424   0.00392   43.0285   1.97364   1.07123   12.8434   0.09894   25.2146
 25  1    45.0678   1.90960   2000.00   150.000   12.9831   0.00433   42.7072   2.36056   1.23615   12.8633   0.11981   27.6583
 26  1    45.1985   2.02160   2100.00   150.000   13.0163   0.00520   42.8547   2.34383   1.15939   12.8957   0.12058   23.1970
 27  1    45.2392   2.12240   2190.00   150.000   13.1059   0.00466   41.8885   3.35077   1.57876   12.9292   0.17675   37.8954
 28  1    45.3343   2.23440   2290.00   150.000   13.1217   0.00493   42.3826   2.95168   1.32102   12.9644   0.15734   31.9288
 29  1    54.1843   1.03600   1220.00   150.000   12.2173   0.00381   53.9608   0.22350   0.21573   12.2088   0.00844   2.21318
 30  1    54.2740   1.08080   1260.00   150.000   12.2298   0.00219   53.9400   0.33405   0.30907   12.2171   0.01267   5.78136
 31  1    54.2970   1.17040   1340.00   150.000   12.2497   0.00200   54.0375   0.25953   0.22175   12.2398   0.00994   4.97494
 32  1    54.2284   1.27120   1430.00   150.000   12.2735   0.00174   54.1189   0.10954   0.08617   12.2692   0.00424   2.43126
 33  1    54.1407   1.32720   1480.00   150.000   12.3060   0.00205   53.6737   0.46699   0.35186   12.2877   0.01828   8.91298
 34  1    54.1687   1.43920   1580.00   150.000   12.3360   0.00247   53.6903   0.47844   0.33243   12.3171   0.01896   7.68263
 35  1    54.2215   1.55120   1680.00   150.000   12.3761   0.00333   53.4704   0.75106   0.48418   12.3459   0.03020   9.07911
 36  1    54.2202   1.62960   1750.00   150.000   12.4059   0.00459   53.2824   0.93783   0.57550   12.3678   0.03813   8.30436
 37  1    54.2211   1.69680   1810.00   150.000   12.4246   0.00480   53.2951   0.92593   0.54569   12.3867   0.03794   7.90457
 38  1    54.2430   1.77520   1880.00   150.000   12.4577   0.00387   53.0441   1.19888   0.67535   12.4081   0.04969   12.8282
 39  1    54.2302   1.84240   1940.00   150.000   12.4692   0.00403   53.2397   0.99050   0.53761   12.4279   0.04132   10.2619
 40  1    54.2358   1.93200   2020.00   150.000   12.4928   0.00415   53.3055   0.93032   0.48153   12.4536   0.03922   9.44248
 41  1    54.2892   2.04400   2120.00   150.000   12.5412   0.00433   52.9584   1.33084   0.65110   12.4842   0.05703   13.1563
 42  1    54.2243   2.13360   2200.00   150.000   12.5874   0.00492   52.5269   1.69739   0.79555   12.5135   0.07389   15.0143
 43  1    57.9981   1.12560   1300.00   150.000   12.0882   0.00309   58.0846   -0.0865   0.07681   12.0913   -0.0031   1.00356
 44  1    58.0563   1.24880   1410.00   150.000   12.1189   0.00340   58.0839   -0.0276   0.02211   12.1199   -0.0010   0.29494
 45  1    58.0852   1.30480   1460.00   150.000   12.1069   0.00322   58.8021   -0.7169   0.54946   12.1330   -0.0260   8.09438
 46  1    58.1264   1.37200   1520.00   150.000   12.1202   0.00278   58.9005   -0.7740   0.56417   12.1485   -0.0283   10.1753
 47  1    58.2363   1.49520   1630.00   150.000   12.1343   0.00286   59.3705   -1.1343   0.75860   12.1761   -0.0418   14.6094
 48  1    58.3077   1.57360   1700.00   150.000   12.1412   0.00285   59.7261   -1.4184   0.90137   12.1938   -0.0526   18.4187
 49  1    58.5404   1.65200   1770.00   150.000   12.1615   0.00263   59.7174   -1.1770   0.71249   12.2055   -0.0439   16.6790
 50  1    58.6663   1.74160   1850.00   150.000   12.2155   0.00254   58.8981   -0.2319   0.13313   12.2243   -0.0088   3.45941
<-------------------------Observed Values---------------------------><----------------Calculated Values ----------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd
                                                                          GPa                       cm^3/mol
 51  1    58.8002   1.83120   1930.00   150.000   12.2293   0.00340   59.1574   -0.3572   0.19506   12.2429   -0.0136   4.01021
 52  1    58.8179   1.92080   2010.00   150.000   12.2410   0.00282   59.4745   -0.6566   0.34184   12.2663   -0.0252   8.94392
 53  1    58.9342   1.98800   2070.00   150.000   12.2517   0.00379   59.6623   -0.7281   0.36627   12.2799   -0.0281   7.42593
 54  1    59.1212   2.11120   2180.00   150.000   12.2582   0.00401   60.3543   -1.2330   0.58405   12.3061   -0.0480   11.9635
 55  1    59.2891   2.18960   2250.00   150.000   12.2825   0.00503   60.2711   -0.9820   0.44848   12.3211   -0.0385   7.65581
 56  1    59.3838   2.27920   2330.00   150.000   12.2960   0.00797   60.5519   -1.1681   0.51250   12.3421   -0.0462   5.79191
 57  1    63.7709   1.12560   1300.00   150.000   11.9336   0.00325   62.5418   1.22913   1.09197   11.8927   0.04089   12.5714
 58  1    63.6024   1.17040   1340.00   150.000   11.9445   0.00340   62.5290   1.07336   0.91709   11.9085   0.03591   10.5586
 59  1    63.4838   1.26000   1420.00   150.000   11.9511   0.00291   62.9527   0.53111   0.42152   11.9332   0.01789   6.15580
 60  1    63.4353   1.32720   1480.00   150.000   11.9541   0.00321   63.3288   0.10654   0.08028   11.9505   0.00360   1.12143
 61  1    63.4263   1.40560   1550.00   150.000   11.9585   0.00173   63.7418   -0.3155   0.22445   11.9692   -0.0107   6.21458
 62  1    63.4708   1.49520   1630.00   150.000   11.9638   0.00191   64.2063   -0.7356   0.49196   11.9889   -0.0251   13.1485
 63  1    63.4788   1.55120   1680.00   150.000   11.9712   0.00200   64.3764   -0.8976   0.57864   12.0021   -0.0308   15.4082
 64  1    63.4561   1.64080   1760.00   150.000   11.9931   0.00234   64.3591   -0.9030   0.55032   12.0244   -0.0313   13.3904
 65  1    63.4578   1.71920   1830.00   150.000   12.0148   0.00190   64.2766   -0.8187   0.47623   12.0435   -0.0286   15.0868
 66  1    63.4820   1.79760   1900.00   150.000   12.0369   0.00200   64.1893   -0.7073   0.39346   12.0619   -0.0249   12.5039
 67  1    63.4522   1.88720   1980.00   150.000   12.0586   0.00209   64.1970   -0.7448   0.39467   12.0852   -0.0265   12.6912
 68  1    63.5647   1.97680   2060.00   150.000   12.0860   0.00276   64.0523   -0.4876   0.24668   12.1035   -0.0175   6.36051
 69  1    63.7663   2.11120   2180.00   150.000   12.1086   0.00246   64.3620   -0.5957   0.28216   12.1302   -0.0216   8.79286
 70  1    63.8600   2.22320   2280.00   150.000   12.1319   0.00476   64.5002   -0.6403   0.28799   12.1554   -0.0235   4.94362
 71  1    63.9175   2.32400   2370.00   150.000   12.1586   0.00333   64.4776   -0.5602   0.24104   12.1793   -0.0208   6.23542
 72  1    64.2285   2.38000   2420.00   150.000   12.1793   0.00397   64.3095   -0.0810   0.03404   12.1823   -0.0030   0.76118
 73  1    64.2644   2.48080   2510.00   150.000   12.2193   0.00305   63.9492   0.31517   0.12704   12.2073   0.01192   3.90667
 74  1    64.1073   2.51440   2540.00   150.000   12.2414   0.00389   63.6037   0.50358   0.20028   12.2222   0.01919   4.93226
 75  1    62.2692   0.00560   300.000   5.00000   11.8284   0.00423   58.3933   3.87594   692.133   11.7078   0.12061   28.5417
 76  1    63.9256   0.00560   300.000   5.00000   11.7776   0.00327   60.0018   3.92382   700.682   11.6581   0.11949   36.5435
 77  1    64.1117   0.00560   300.000   5.00000   11.7685   0.00337   60.2959   3.81575   681.385   11.6526   0.11584   34.3879
 78  1    66.7763   0.00560   300.000   5.00000   11.7099   0.00374   62.2006   4.57563   817.077   11.5750   0.13488   36.0377
 79  1    83.7593   1.26000   1420.00   150.000   11.3320   0.00310   83.9329   -0.1735   0.13772   11.3365   -0.0045   1.45058
 80  1    83.8346   1.33840   1490.00   150.000   11.3408   0.00342   84.1348   -0.3002   0.22426   11.3486   -0.0078   2.28224
 81  1    83.9210   1.41680   1560.00   150.000   11.3793   0.00341   83.2056   0.71545   0.50497   11.3605   0.01881   5.52290
 82  1    84.2479   1.55120   1680.00   150.000   11.3832   0.00317   83.9908   0.25715   0.16577   11.3764   0.00679   2.14474
 83  1    84.3992   1.61840   1740.00   150.000   11.3958   0.00245   83.9824   0.41684   0.25756   11.3847   0.01106   4.51056
 84  1    84.4442   1.69680   1810.00   150.000   11.4169   0.00298   83.7358   0.70842   0.41750   11.3979   0.01894   6.35128
 85  1    84.4649   1.77520   1880.00   150.000   11.4405   0.00254   83.4061   1.05882   0.59645   11.4119   0.02855   11.2260
 86  1    84.4635   1.86480   1960.00   150.000   11.4697   0.00311   82.9588   1.50469   0.80689   11.4287   0.04098   13.1720
 87  1    84.4695   1.97680   2060.00   150.000   11.4935   0.00347   82.8754   1.59406   0.80639   11.4497   0.04385   12.6204
 88  1    84.3718   2.10000   2170.00   150.000   11.5201   0.00710   82.7817   1.59009   0.75718   11.4758   0.04424   6.23516
 89  1    84.3526   2.17840   2240.00   150.000   11.5093   0.00636   83.7132   0.63933   0.29349   11.4914   0.01781   2.80105
 90  1    84.3375   2.27920   2330.00   150.000   11.5127   0.00536   84.2921   0.04535   0.01990   11.5114   0.00127   0.23718
 91  1    84.6732   2.40240   2440.00   150.000   11.5493   0.00623   83.8523   0.82092   0.34171   11.5261   0.02324   3.73070
 92  1    84.6227   2.48080   2510.00   150.000   11.5593   0.00717   84.0503   0.57241   0.23074   11.5430   0.01630   2.27242
 93  1    92.4086   1.47280   1610.00   150.000   11.2251   0.00678   89.6369   2.77168   1.88191   11.1577   0.06737   9.93063
 94  1    92.4186   1.69680   1810.00   150.000   11.2227   0.00358   91.2846   1.13402   0.66833   11.1949   0.02778   7.76452
 95  1    92.8268   1.80880   1910.00   150.000   11.2112   0.00237   92.5317   0.29511   0.16315   11.2039   0.00723   3.05056
 96  1    92.8125   1.57360   1700.00   150.000   11.1687   0.00178   92.6501   0.16244   0.10323   11.1648   0.00391   2.19260
 97  1    92.7971   1.46160   1600.00   150.000   11.1515   0.00176   92.5898   0.20726   0.14180   11.1466   0.00494   2.81404
 98  1    93.0799   1.75280   1860.00   150.000   11.1817   0.00201   93.3535   -0.2735   0.15606   11.1883   -0.0066   3.29753
 99  1    93.2651   1.84240   1940.00   150.000   11.1913   0.00212   93.5797   -0.3146   0.17075   11.1989   -0.0077   3.61307
100  1    93.4954   1.95440   2040.00   150.000   11.2110   0.00321   93.5505   -0.0551   0.02820   11.2123   -0.0014   0.42186
<-------------------------Observed Values---------------------------><----------------Calculated Values ----------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd
                                                                          GPa                       cm^3/mol
101  1    93.6135   2.04400   2120.00   150.000   11.2302   0.00254   93.3923   0.22124   0.10824   11.2247   0.00547   2.15070
102  1    93.7267   2.16720   2230.00   150.000   11.2543   0.00216   93.2817   0.44505   0.20536   11.2432   0.01110   5.14038
103  1    94.0063   2.34640   2390.00   150.000   11.2760   0.00251   93.6652   0.34107   0.14536   11.2674   0.00859   3.42201
104  1    94.0082   2.44720   2480.00   150.000   11.3215   0.00372   92.5807   1.42747   0.58331   11.2851   0.03648   9.80711
105  1    94.2592   2.52560   2550.00   150.000   11.3215   0.00436   93.1295   1.12968   0.44729   11.2926   0.02891   6.63735
106  1    108.263   1.60720   1730.00   150.000   10.7922   0.00317   109.923   -1.6597   1.03264   10.8262   -0.0340   10.7325
107  1    108.554   1.68560   1800.00   150.000   10.7938   0.00283   110.385   -1.8309   1.08621   10.8314   -0.0376   13.2571
108  1    109.100   1.87600   1970.00   150.000   10.8120   0.00211   110.815   -1.7155   0.91447   10.8474   -0.0355   16.8309
109  1    109.347   1.61840   1740.00   150.000   10.7955   0.00192   109.835   -0.4878   0.30143   10.8055   -0.0100   5.18609
110  1    109.266   1.49520   1630.00   150.000   10.7872   0.00176   109.395   -0.1295   0.08663   10.7898   -0.0026   1.49590
111  1    109.210   1.39440   1540.00   150.000   10.7761   0.00180   109.248   -0.0376   0.02698   10.7768  -0.00076   0.42133
112  1    109.146   1.28240   1440.00   150.000   10.7658   0.00176   108.988   0.15848   0.12358   10.7626   0.00318   1.80425
113  1    109.052   1.17040   1340.00   150.000   10.7579   0.00195   108.610   0.44201   0.37766   10.7491   0.00882   4.53261
114  1    109.097   1.17040   1340.00   150.000   10.7562   0.00201   108.695   0.40198   0.34345   10.7482   0.00802   3.98038
115  1    109.504   1.57360   1700.00   150.000   10.7853   0.00200   110.028   -0.5240   0.33302   10.7960   -0.0106   5.33149
116  1    109.609   1.68560   1800.00   150.000   10.7947   0.00190   110.341   -0.7326   0.43463   10.8096   -0.0150   7.87736
117  1    109.780   1.74160   1850.00   150.000   10.7967   0.00186   110.629   -0.8487   0.48731   10.8141   -0.0174   9.33198
118  1    109.961   1.89840   1990.00   150.000   10.8103   0.00205   111.051   -1.0901   0.57423   10.8328   -0.0225   10.9375
119  1    110.057   1.98800   2070.00   150.000   10.8246   0.00238   110.977   -0.9206   0.46306   10.8437   -0.0191   8.00270
120  1    110.219   2.08880   2160.00   150.000   10.8499   0.00258   110.458   -0.2388   0.11433   10.8549   -0.0050   1.93567
121  1    110.303   2.18960   2250.00   150.000   10.8684   0.00300   110.275   0.02774   0.01267   10.8679   0.00058   0.19393
122  1    110.562   2.26800   2320.00   150.000   10.8737   0.00369   110.569   -0.0075   0.00329   10.8739  -0.00016   0.04293
123  1    110.756   2.36880   2410.00   150.000   10.8897   0.00549   110.518   0.23813   0.10053   10.8846   0.00505   0.92071
124  1    110.707   2.49200   2520.00   150.000   10.9341   0.00455   109.303   1.40392   0.56337   10.9039   0.03022   6.63576
125  1    110.928   2.57040   2590.00   150.000   10.9507   0.00494   109.089   1.83984   0.71578   10.9109   0.03982   8.06113
126  1    115.855   1.70800   1820.00   150.000   10.6051   0.00627   120.230   -4.3755   2.56180   10.6883   -0.0832   13.2791
127  1    116.306   1.71920   1830.00   150.000   10.5867   0.00644   121.295   -4.9893   2.90213   10.6811   -0.0943   14.6525
128  1    116.740   1.90960   2000.00   150.000   10.6019   0.00547   121.798   -5.0579   2.64869   10.6982   -0.0963   17.6047
129  1    117.407   1.97680   2060.00   150.000   10.6254   0.00423   121.009   -3.6019   1.82208   10.6943   -0.0689   16.2784
130  1    117.832   2.13360   2200.00   150.000   10.6403   0.00487   121.311   -3.4783   1.63026   10.7073   -0.0670   13.7593
131  1    118.498   2.30160   2350.00   150.000   10.6945   0.00651   119.657   -1.1590   0.50356   10.7171   -0.0226   3.47988
132  1    118.847   2.39120   2430.00   150.000   10.6958   0.00459   120.213   -1.3663   0.57140   10.7225   -0.0267   5.82136
133  1    118.550   1.90960   2000.00   150.000   10.6170   0.00962   120.990   -2.4399   1.27768   10.6633   -0.0463   4.80736
134  1    118.524   1.79760   1900.00   150.000   10.6004   0.00661   121.104   -2.5797   1.43509   10.6489   -0.0486   7.34230
135  1    118.494   1.68560   1800.00   150.000   10.5950   0.00854   120.617   -2.1232   1.25960   10.6348   -0.0398   4.65714
136  1    118.350   1.57360   1700.00   150.000   10.5935   0.00797   119.926   -1.5760   1.00153   10.6229   -0.0294   3.69598
137  1    118.373   1.46160   1600.00   150.000   10.5813   0.00963   119.809   -1.4364   0.98274   10.6080   -0.0267   2.77022
138  1    118.240   1.23760   1400.00   150.000   10.5803   0.00776   118.322   -0.0817   0.06602   10.5818   -0.0015   0.19416
139  1    117.627   0.00560   300.000   5.00000   10.5203   0.00793   113.721   3.90556   697.422   10.4516   0.06870   8.66360
140  1    118.231   0.00560   300.000   5.00000   10.5106   0.00645   114.264   3.96712   708.415   10.4412   0.06946   10.7743
141  1    122.968   0.00560   300.000   5.00000   10.4226   0.00636   119.314   3.65395   652.492   10.3610   0.06152   9.66898
142  1    123.164   0.00560   300.000   5.00000   10.4201   0.00776   119.459   3.70528   661.656   10.3578   0.06231   8.02471
143  1    126.236   0.00560   300.000   5.00000   10.3842   0.00674   121.581   4.65527   831.297   10.3075   0.07672   11.3776
144  1    128.752   1.15920   1330.00   150.000   10.4038   0.00358   127.757   0.99501   0.85836   10.3870   0.01684   4.69964
145  1    129.081   1.33840   1490.00   150.000   10.4080   0.00403   128.740   0.34093   0.25473   10.4022   0.00580   1.43686
146  1    129.340   1.52880   1660.00   150.000   10.4123   0.00374   129.797   -0.4568   0.29881   10.4201   -0.0078   2.08613
147  1    129.907   1.67440   1790.00   150.000   10.4083   0.00548   131.040   -1.1328   0.67654   10.4277   -0.0194   3.53581
148  1    130.211   1.82000   1920.00   150.000   10.4054   0.00417   132.217   -2.0065   1.10247   10.4398   -0.0344   8.24183
149  1    130.971   2.02160   2100.00   150.000   10.4075   0.00481   133.493   -2.5225   1.24779   10.4509   -0.0434   9.02855
150  1    131.695   2.17840   2240.00   150.000   10.4275   0.00481   133.413   -1.7180   0.78865   10.4572   -0.0297   6.17800
<-------------------------Observed Values---------------------------><----------------Calculated Values ----------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd
                                                                          GPa                       cm^3/mol
151  1    132.596   2.40240   2440.00   150.000   10.4586   0.00461   133.174   -0.5777   0.24048   10.4687   -0.0101   2.19100
152  1    146.495   0.00560   300.000   5.00000   10.0622   0.00479   142.297   4.19827   749.692   10.0025   0.05968   12.4657
153  1    146.468   0.00560   300.000   5.00000   10.0611   0.00504   142.372   4.09601   731.430   10.0029   0.05821   11.5436
154  1    148.509   1.20400   1370.00   150.000   10.0717   0.00428   149.216   -0.7077   0.58775   10.0820   -0.0103   2.40713
155  1    148.906   1.42800   1570.00   150.000   10.0720   0.00384   150.727   -1.8217   1.27568   10.0987   -0.0266   6.93618
156  1    149.347   1.60720   1730.00   150.000   10.0749   0.00383   151.765   -2.4180   1.50448   10.1104   -0.0355   9.27585
157  1    149.948   1.79760   1900.00   150.000   10.0739   0.00659   153.149   -3.2010   1.78072   10.1210   -0.0471   7.14579
158  1    39.0000   0.39000   300.000   5.00000   12.4836   0.06242   40.4814   -1.4814   3.79838   12.5468   -0.0632   1.01233
159  1    44.3000   0.44300   300.000   5.00000   12.3060   0.06153   44.8612   -0.5612   1.26677   12.3280   -0.0220   0.35816
160  1    112.300   1.12300   300.000   5.00000   10.5295   0.05265   113.209   -0.9086   0.80910   10.5458   -0.0164   0.31090
161  1    130.600   1.30600   300.000   5.00000   10.2750   0.05138   128.256   2.34450   1.79517   10.2380   0.03706   0.72132
162  1    148.500   1.48500   300.000   5.00000   10.0101   0.05005   145.958   2.54240   1.71206   9.97461   0.03546   0.70842
163  1    170.500   1.70500   300.000   5.00000   9.74209   0.04871   166.294   4.20596   2.46684   9.69076   0.05133   1.05379
164  1    185.500   1.85500   300.000   5.00000   9.47260   0.04736   189.609   -4.1086   2.21490   9.51757   -0.0450   0.94930
165  1    198.200   1.98200   300.000   5.00000   9.37926   0.04690   198.438   -0.2380   0.12008   9.38173   -0.0025   0.05247
166  1    214.500   2.14500   300.000   5.00000   9.23022   0.04615   213.424   1.07648   0.50185   9.21994   0.01029   0.22286
167  1    68.9000   0.68900   300.000   5.00000   11.5487   0.05774   67.7017   1.19833   1.73923   11.5150   0.03367   0.58317
168  1    84.8000   0.84800   300.000   5.00000   11.0745   0.05537   86.3216   -1.5216   1.79437   11.1097   -0.0352   0.63637
169  1    101.200   1.01200   300.000   5.00000   10.7342   0.05367   102.320   -1.1201   1.10686   10.7564   -0.0222   0.41350
170  1    70.3000   0.70300   300.000   5.00000   11.4749   0.05737   70.3499   -0.0499   0.07094   11.4763   -0.0014   0.02387
171  1    43.2000   0.43200   300.000   5.00000   12.3933   0.06197   42.6678   0.53220   1.23194   12.3718   0.02148   0.34666
172  1    49.3000   0.49300   300.000   5.00000   12.2051   0.06103   47.4967   1.80326   3.65774   12.1385   0.06663   1.09181
173  1    56.3000   0.56300   300.000   5.00000   11.8317   0.05916   58.2907   -1.9907   3.53581   11.8963   -0.0645   1.09109
174  1    58.9000   0.58900   300.000   5.00000   11.8377   0.05919   58.1026   0.79738   1.35379   11.8123   0.02543   0.42959
175  1    64.7000   0.64700   300.000   5.00000   11.6752   0.05838   63.3546   1.34542   2.07948   11.6353   0.03988   0.68324
176  1    67.2000   0.67200   300.000   5.00000   11.5863   0.05793   66.3829   0.81705   1.21584   11.5629   0.02339   0.40380
177  1    110.600   1.10600   300.000   5.00000   10.5445   0.05272   112.373   -1.7726   1.60275   10.5768   -0.0323   0.61215
178  1    120.100   1.20100   300.000   5.00000   10.3654   0.05183   122.708   -2.6081   2.17161   10.4092   -0.0438   0.84559

       Esds available for all data points for:  P, T, V

EOSFIT-7.6>fit
     178 data for V will be used in least-squares
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 12-mars-2024 at 18:44
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  15.3700           :Reference pressure volume: units are cm^3/mol
      K0:  115.490           :Bulk modulus: units are GPa
      Kp:  4.99000           :dK/dP: dimensionless
     Kpp: -0.0507            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   298.00 K
 
   ThMGD:  417.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.42(4)           :Gruneisen parameter at Tref,Pref
       q:  1.00000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 
    Do you want to change these EoS parameters or the EoS type? (Y/N) <N>?n

 SELECT PARAMETERS TO REFINE IN LEAST-SQUARES FIT:
           REFINE V0     (Y/N)?n
           REFINE K0     (Y/N)?n
           REFINE Kp     (Y/N)?n
     Parameters for thermal model
           REFINE ThMGD  (Y/N)?n
           REFINE Gamm0  (Y/N)?y
           REFINE q      (Y/N)?n

 SELECT WEIGHTING SCHEME:
     SIGMAS FOR P   PRESENT, USE IN WEIGHTS (Y/N)?y
     SIGMAS FOR T   PRESENT, USE IN WEIGHTS (Y/N)?y
     SIGMAS FOR V   PRESENT, USE IN WEIGHTS (Y/N)?y

     EQUATION FITTED WITH WEIGHTS DERIVED FROM sigma(P), sigma(T), sigma(V),




   RESULTS FROM CYCLE  1
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        15.37000  [NOT REFINED]
 K0      0       115.49000  [NOT REFINED]
 Kp      0         4.99000  [NOT REFINED]
 Kpp     0        -0.05073  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       416.99997  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.46936          0.05265          0.21731           0.24
 q       0         1.00000  [NOT REFINED]
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 298.00
 W-CHI^2 =  30.85 (AND ESD'S RESCALED BY W-CHI^2)


   RESULTS FROM CYCLE  2
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        15.37000  [NOT REFINED]
 K0      0       115.49000  [NOT REFINED]
 Kp      0         4.99000  [NOT REFINED]
 Kpp     0        -0.05073  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       416.99997  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.46943          0.00007          0.21942           0.00
 q       0         1.00000  [NOT REFINED]
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 298.00
 W-CHI^2 =  30.79 (AND ESD'S RESCALED BY W-CHI^2)


***********************MESSAGE FROM LEAST SQUARES***********************
Least Squares converged, indicated by small shift/esd
************************************************************************



   RESULTS AFTER FINAL REFINEMENT CYCLE
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        15.37000  [NOT REFINED]
 K0      0       115.49000  [NOT REFINED]
 Kp      0         4.99000  [NOT REFINED]
 Kpp     0        -0.05073  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       416.99997  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.46943          0.00007          0.21942           0.00
 q       0         1.00000  [NOT REFINED]
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 298.00
 W-CHI^2 =  30.79 (AND ESD'S RESCALED BY W-CHI^2)

 INPUT <CR> TO CONTINUE

  THE 178 LOADED DATA ARE AS FOLLOWS:

     **********Scale factors in use: Calculated values have been scaled to observed values**********
<-------------------------Observed Values---------------------------><----------------Calculated Values -------------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd       Wt
                                                                          GPa                       cm^3/mol
  1  1    29.5964   1.29360   1450.00   150.000   13.6912   0.00301   26.7702   2.82629   2.18482   13.5028   0.18840   62.6376   0.3223677
  2  1    29.6173   1.38320   1530.00   150.000   13.7498   0.00330   26.5714   3.04585   2.20203   13.5427   0.20709   62.7648   0.2990194
  3  1    29.6810   1.47280   1610.00   150.000   13.7994   0.00363   26.5155   3.16555   2.14934   13.5804   0.21903   60.3935   0.2776045
  4  1    29.9049   1.58480   1710.00   150.000   13.8947   0.00426   26.0198   3.88509   2.45147   13.6186   0.27605   64.8514   0.2533330
  5  1    33.1277   1.09200   1270.00   150.000   13.3751   0.00163   30.2071   2.92062   2.67456   13.2032   0.17196   105.759   0.3828183
  6  1    33.2312   1.18160   1350.00   150.000   13.4019   0.00199   30.4056   2.82558   2.39132   13.2336   0.16832   84.4745   0.3546994
  7  1    33.4179   1.31600   1470.00   150.000   13.4595   0.00519   30.4367   2.98122   2.26537   13.2781   0.18132   34.9302   0.3160080
  8  1    33.4179   1.31600   1470.00   150.000   13.4595   0.00519   30.4367   2.98122   2.26537   13.2781   0.18132   34.9302   0.3160080
  9  1    41.6518   1.03600   1220.00   150.000   12.8111   0.00274   40.2076   1.44426   1.39407   12.7421   0.06900   25.1430   0.4019339
 10  1    41.7693   1.15920   1330.00   150.000   12.8350   0.00263   40.5879   1.18142   1.01916   12.7778   0.05715   21.7597   0.3618820
 11  1    41.6736   1.26000   1420.00   150.000   12.8648   0.00241   40.6958   0.97779   0.77602   12.8168   0.04798   19.9185   0.3322029
 12  1    41.9291   1.36080   1510.00   150.000   12.9202   0.00185   40.3061   1.62296   1.19265   12.8392   0.08092   43.6599   0.3052044
 13  1    41.8033   1.43920   1580.00   150.000   12.9554   0.00343   40.1726   1.63073   1.13308   12.8729   0.08247   24.0374   0.2856224
 14  1    41.9176   1.50640   1640.00   150.000   12.9752   0.00226   40.2659   1.65165   1.09642   12.8911   0.08419   37.2876   0.2704171
 15  1    42.1986   1.62960   1750.00   150.000   13.0096   0.00374   40.4832   1.71538   1.05264   12.9210   0.08860   23.7174   0.2445109
 16  1    42.6556   1.78640   1890.00   150.000   13.0418   0.00396   40.9915   1.66410   0.93154   12.9547   0.08713   22.0126   0.2160650
 17  1    45.1681   1.06960   1250.00   150.000   12.6349   0.00424   44.2158   0.95234   0.89037   12.5923   0.04254   10.0385   0.3900170
 18  1    44.9994   1.17040   1340.00   150.000   12.6735   0.00406   44.0788   0.92064   0.78660   12.6317   0.04180   10.2942   0.3579975
 19  1    44.9909   1.24880   1410.00   150.000   12.6937   0.00419   44.1930   0.79786   0.63890   12.6572   0.03657   8.73473   0.3348715
 20  1    44.9010   1.38320   1530.00   150.000   12.7792   0.00235   43.3277   1.57326   1.13740   12.7051   0.07413   31.5199   0.2995285
 21  1    44.8590   1.52880   1660.00   150.000   12.8025   0.00322   43.8769   0.98205   0.64237   12.7555   0.04699   14.6065   0.2653981
 22  1    44.9072   1.64080   1760.00   150.000   12.8579   0.00294   43.5399   1.36730   0.83331   12.7912   0.06666   22.6594   0.2424639
 23  1    44.9390   1.74160   1850.00   150.000   12.9170   0.00362   43.0747   1.86436   1.07049   12.8244   0.09264   25.6061   0.2237824
 24  1    45.0022   1.84240   1940.00   150.000   12.9424   0.00392   43.2946   1.70761   0.92684   12.8565   0.08586   21.8825   0.2069513
 25  1    45.0678   1.90960   2000.00   150.000   12.9831   0.00433   42.9837   2.08407   1.09136   12.8770   0.10611   24.4964   0.1966119
 26  1    45.1985   2.02160   2100.00   150.000   13.0163   0.00520   43.1484   2.05012   1.01411   12.9104   0.10583   20.3591   0.1808166
 27  1    45.2392   2.12240   2190.00   150.000   13.1059   0.00466   42.1981   3.04115   1.43288   12.9449   0.16100   34.5185   0.1681543
 28  1    45.3343   2.23440   2290.00   150.000   13.1217   0.00493   42.7094   2.62495   1.17479   12.9812   0.14047   28.5046   0.1553639
 29  1    54.1843   1.03600   1220.00   150.000   12.2173   0.00381   54.1003   0.08405   0.08112   12.2141   0.00318   0.83332   0.4019404
 30  1    54.2740   1.08080   1260.00   150.000   12.2298   0.00219   54.0862   0.18786   0.17381   12.2226   0.00714   3.25610   0.3878267
 31  1    54.2970   1.17040   1340.00   150.000   12.2497   0.00200   54.1971   0.09987   0.08533   12.2459   0.00383   1.91855   0.3592047
 32  1    54.2284   1.27120   1430.00   150.000   12.2735   0.00174   54.2938   -0.0653   0.05141   12.2760   -0.0025   1.45263   0.3296565
 33  1    54.1407   1.32720   1480.00   150.000   12.3060   0.00205   53.8572   0.28346   0.21358   12.2949   0.01111   5.41959   0.3142858
 34  1    54.1687   1.43920   1580.00   150.000   12.3360   0.00247   53.8909   0.27788   0.19308   12.3250   0.01104   4.47110   0.2860239
 35  1    54.2215   1.55120   1680.00   150.000   12.3761   0.00333   53.6881   0.53334   0.34382   12.3546   0.02149   6.46067   0.2606231
 36  1    54.2202   1.62960   1750.00   150.000   12.4059   0.00459   53.5122   0.70805   0.43450   12.3771   0.02885   6.28435   0.2442662
 37  1    54.2211   1.69680   1810.00   150.000   12.4246   0.00480   53.5352   0.68587   0.40421   12.3964   0.02817   5.86927   0.2314982
 38  1    54.2430   1.77520   1880.00   150.000   12.4577   0.00387   53.2963   0.94671   0.53330   12.4184   0.03934   10.1559   0.2179406
 39  1    54.2302   1.84240   1940.00   150.000   12.4692   0.00403   53.5021   0.72808   0.39518   12.4387   0.03046   7.56301   0.2069052
 40  1    54.2358   1.93200   2020.00   150.000   12.4928   0.00415   53.5817   0.65417   0.33860   12.4651   0.02765   6.65779   0.1933121
 41  1    54.2892   2.04400   2120.00   150.000   12.5412   0.00433   53.2519   1.03733   0.50750   12.4966   0.04458   10.2853   0.1779295
 42  1    54.2243   2.13360   2200.00   150.000   12.5874   0.00492   52.8343   1.38993   0.65145   12.5267   0.06070   12.3329   0.1667225
 43  1    57.9981   1.12560   1300.00   150.000   12.0882   0.00309   58.2362   -0.2381   0.21154   12.0967   -0.0086   2.76773   0.3728682
 44  1    58.0563   1.24880   1410.00   150.000   12.1189   0.00340   58.2542   -0.1978   0.15843   12.1261   -0.0072   2.11961   0.3354130
 45  1    58.0852   1.30480   1460.00   150.000   12.1069   0.00322   58.9806   -0.8954   0.68625   12.1395   -0.0326   10.1269   0.3199482
 46  1    58.1264   1.37200   1520.00   150.000   12.1202   0.00278   59.0891   -0.9627   0.70167   12.1555   -0.0353   12.6777   0.3025146
 47  1    58.2363   1.49520   1630.00   150.000   12.1343   0.00286   59.5777   -1.3415   0.89719   12.1838   -0.0496   17.3119   0.2730240
 48  1    58.3077   1.57360   1700.00   150.000   12.1412   0.00285   59.9451   -1.6374   1.04057   12.2020   -0.0608   21.3072   0.2560732
 49  1    58.5404   1.65200   1770.00   150.000   12.1615   0.00263   59.9484   -1.4081   0.85233   12.2142   -0.0527   19.9964   0.2404526
 50  1    58.6663   1.74160   1850.00   150.000   12.2155   0.00254   59.1431   -0.4768   0.27380   12.2336   -0.0181   7.13089   0.2239998
<-------------------------Observed Values---------------------------><----------------Calculated Values -------------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd       Wt
                                                                          GPa                       cm^3/mol
 51  1    58.8002   1.83120   1930.00   150.000   12.2293   0.00340   59.4160   -0.6158   0.33629   12.2529   -0.0236   6.93111   0.2087944
 52  1    58.8179   1.92080   2010.00   150.000   12.2410   0.00282   59.7468   -0.9289   0.48359   12.2768   -0.0358   12.6850   0.1951450
 53  1    58.9342   1.98800   2070.00   150.000   12.2517   0.00379   59.9449   -1.0107   0.50838   12.2909   -0.0392   10.3343   0.1854514
 54  1    59.1212   2.11120   2180.00   150.000   12.2582   0.00401   60.6555   -1.5342   0.72672   12.3180   -0.0599   14.9282   0.1694972
 55  1    59.2891   2.18960   2250.00   150.000   12.2825   0.00503   60.5844   -1.2953   0.59156   12.3335   -0.0510   10.1278   0.1601607
 56  1    59.3838   2.27920   2330.00   150.000   12.2960   0.00797   60.8788   -1.4951   0.65596   12.3552   -0.0593   7.43643   0.1499339
 57  1    63.7709   1.12560   1300.00   150.000   11.9336   0.00325   62.6921   1.07883   0.95845   11.8977   0.03594   11.0490   0.3728549
 58  1    63.6024   1.17040   1340.00   150.000   11.9445   0.00340   62.6861   0.91634   0.78293   11.9137   0.03070   9.02710   0.3586881
 59  1    63.4838   1.26000   1420.00   150.000   11.9511   0.00291   63.1231   0.36071   0.28628   11.9389   0.01217   4.18701   0.3325769
 60  1    63.4353   1.32720   1480.00   150.000   11.9541   0.00321   63.5092   -0.0739   0.05567   11.9566   -0.0025   0.77978   0.3139888
 61  1    63.4263   1.40560   1550.00   150.000   11.9585   0.00173   63.9340   -0.5077   0.36117   11.9758   -0.0173   10.0162   0.2945273
 62  1    63.4708   1.49520   1630.00   150.000   11.9638   0.00191   64.4120   -0.9412   0.62949   11.9960   -0.0322   16.8561   0.2733456
 63  1    63.4788   1.55120   1680.00   150.000   11.9712   0.00200   64.5904   -1.1117   0.71666   12.0095   -0.0382   19.1199   0.2610466
 64  1    63.4561   1.64080   1760.00   150.000   11.9931   0.00234   64.5868   -1.1307   0.68912   12.0324   -0.0393   16.8015   0.2427128
 65  1    63.4578   1.71920   1830.00   150.000   12.0148   0.00190   64.5163   -1.0585   0.61569   12.0519   -0.0371   19.5451   0.2281218
 66  1    63.4820   1.79760   1900.00   150.000   12.0369   0.00200   64.4410   -0.9590   0.53351   12.0708   -0.0339   16.9924   0.2145402
 67  1    63.4522   1.88720   1980.00   150.000   12.0586   0.00209   64.4625   -1.0103   0.53534   12.0947   -0.0361   17.2552   0.2002787
 68  1    63.5647   1.97680   2060.00   150.000   12.0860   0.00276   64.3316   -0.7669   0.38795   12.1137   -0.0276   10.0277   0.1871570
 69  1    63.7663   2.11120   2180.00   150.000   12.1086   0.00246   64.6618   -0.8955   0.42415   12.1412   -0.0326   13.2538   0.1696937
 70  1    63.8600   2.22320   2280.00   150.000   12.1319   0.00476   64.8172   -0.9572   0.43055   12.1672   -0.0352   7.41142   0.1564470
 71  1    63.9175   2.32400   2370.00   150.000   12.1586   0.00333   64.8101   -0.8927   0.38410   12.1918   -0.0332   9.96632   0.1461444
 72  1    64.2285   2.38000   2420.00   150.000   12.1793   0.00397   64.6507   -0.4222   0.17738   12.1951   -0.0158   3.97766   0.1406525
 73  1    64.2644   2.48080   2510.00   150.000   12.2193   0.00305   64.3060   -0.0416   0.01679   12.2208   -0.0016   0.51791   0.1316534
 74  1    64.1073   2.51440   2540.00   150.000   12.2414   0.00389   63.9659   0.14146   0.05626   12.2359   0.00541   1.38964   0.1287384
 75  1    62.2692   0.00560   300.000   5.00000   11.8284   0.00423   58.3934   3.87576   692.100   11.7078   0.12061   28.5410   54.259926
 76  1    63.9256   0.00560   300.000   5.00000   11.7776   0.00327   60.0020   3.92365   700.651   11.6581   0.11949   36.5409   84.078590
 77  1    64.1117   0.00560   300.000   5.00000   11.7685   0.00337   60.2961   3.81557   681.353   11.6526   0.11583   34.3865   79.155708
 78  1    66.7763   0.00560   300.000   5.00000   11.7099   0.00374   62.2008   4.57546   817.047   11.5750   0.13487   36.0369   62.052094
 79  1    83.7593   1.26000   1420.00   150.000   11.3320   0.00310   84.0969   -0.3375   0.26789   11.3408   -0.0087   2.82450   0.3326080
 80  1    83.8346   1.33840   1490.00   150.000   11.3408   0.00342   84.3105   -0.4759   0.35554   11.3532   -0.0124   3.62297   0.3108582
 81  1    83.9210   1.41680   1560.00   150.000   11.3793   0.00341   83.3933   0.52768   0.37244   11.3655   0.01390   4.07947   0.2910648
 82  1    84.2479   1.55120   1680.00   150.000   11.3832   0.00317   84.1986   0.04935   0.03181   11.3819   0.00131   0.41221   0.2606432
 83  1    84.3992   1.61840   1740.00   150.000   11.3958   0.00245   84.2004   0.19886   0.12287   11.3905   0.00528   2.15476   0.2471696
 84  1    84.4442   1.69680   1810.00   150.000   11.4169   0.00298   83.9657   0.47848   0.28199   11.4041   0.01282   4.29760   0.2319272
 85  1    84.4649   1.77520   1880.00   150.000   11.4405   0.00254   83.6481   0.81686   0.46015   11.4184   0.02207   8.67645   0.2182324
 86  1    84.4635   1.86480   1960.00   150.000   11.4697   0.00311   83.2145   1.24894   0.66974   11.4356   0.03408   10.9536   0.2034851
 87  1    84.4695   1.97680   2060.00   150.000   11.4935   0.00347   83.1483   1.32120   0.66835   11.4571   0.03641   10.4809   0.1869331
 88  1    84.3718   2.10000   2170.00   150.000   11.5201   0.00710   83.0734   1.29836   0.61826   11.4839   0.03620   5.10204   0.1694433
 89  1    84.3526   2.17840   2240.00   150.000   11.5093   0.00636   84.0167   0.33591   0.15420   11.4999   0.00938   1.47485   0.1606168
 90  1    84.3375   2.27920   2330.00   150.000   11.5127   0.00536   84.6108   -0.2733   0.11992   11.5204   -0.0077   1.42985   0.1501140
 91  1    84.6732   2.40240   2440.00   150.000   11.5493   0.00623   84.1900   0.48320   0.20113   11.5356   0.01372   2.20159   0.1379124
 92  1    84.6227   2.48080   2510.00   150.000   11.5593   0.00717   84.4000   0.22272   0.08978   11.5529   0.00636   0.88632   0.1307255
 93  1    92.4086   1.47280   1610.00   150.000   11.2251   0.00678   89.8312   2.57744   1.75003   11.1624   0.06273   9.24716   0.2734825
 94  1    92.4186   1.69680   1810.00   150.000   11.2227   0.00358   91.5122   0.90646   0.53422   11.2005   0.02224   6.21689   0.2315465
 95  1    92.8268   1.80880   1910.00   150.000   11.2112   0.00237   92.7758   0.05096   0.02817   11.2099   0.00125   0.52782   0.2126659
 96  1    92.8125   1.57360   1700.00   150.000   11.1687   0.00178   92.8586   -0.0461   0.02928   11.1698   -0.0011   0.62324   0.2566440
 97  1    92.7971   1.46160   1600.00   150.000   11.1515   0.00176   92.7815   0.01560   0.01067   11.1512   0.00037   0.21225   0.2814861
 98  1    93.0799   1.75280   1860.00   150.000   11.1817   0.00201   93.5889   -0.5089   0.29036   11.1940   -0.0124   6.14545   0.2222778
 99  1    93.2651   1.84240   1940.00   150.000   11.1913   0.00212   93.8287   -0.5635   0.30586   11.2050   -0.0137   6.48392   0.2073086
100  1    93.4954   1.95440   2040.00   150.000   11.2110   0.00321   93.8165   -0.3211   0.16429   11.2189   -0.0079   2.46212   0.1900891
<-------------------------Observed Values---------------------------><----------------Calculated Values -------------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd       Wt
                                                                          GPa                       cm^3/mol
101  1    93.6135   2.04400   2120.00   150.000   11.2302   0.00254   93.6720   -0.0584   0.02858   11.2317   -0.0014   0.56882   0.1781231
102  1    93.7267   2.16720   2230.00   150.000   11.2543   0.00216   93.5802   0.14652   0.06761   11.2506   0.00366   1.69595   0.1630853
103  1    94.0063   2.34640   2390.00   150.000   11.2760   0.00251   93.9910   0.01527   0.00651   11.2756   0.00039   0.15342   0.1439815
104  1    94.0082   2.44720   2480.00   150.000   11.3215   0.00372   92.9224   1.08585   0.44371   11.2937   0.02781   7.47706   0.1343956
105  1    94.2592   2.52560   2550.00   150.000   11.3215   0.00436   93.4829   0.77622   0.30734   11.3016   0.01991   4.57129   0.1275666
106  1    108.263   1.60720   1730.00   150.000   10.7922   0.00317   110.131   -1.8681   1.16231   10.8305   -0.0383   12.0965   0.2487964
107  1    108.554   1.68560   1800.00   150.000   10.7938   0.00283   110.605   -2.0510   1.21677   10.8359   -0.0421   14.8704   0.2339142
108  1    109.100   1.87600   1970.00   150.000   10.8120   0.00211   111.064   -1.9642   1.04703   10.8526   -0.0407   19.2985   0.2020452
109  1    109.347   1.61840   1740.00   150.000   10.7955   0.00192   110.045   -0.6980   0.43127   10.8098   -0.0143   7.43021   0.2474918
110  1    109.266   1.49520   1630.00   150.000   10.7872   0.00176   109.587   -0.3213   0.21489   10.7937   -0.0065   3.71505   0.2738869
111  1    109.210   1.39440   1540.00   150.000   10.7761   0.00180   109.425   -0.2144   0.15375   10.7804   -0.0043   2.40607   0.2979758
112  1    109.146   1.28240   1440.00   150.000   10.7658   0.00176   109.148   -0.0017   0.00135   10.7658  -0.00003   0.01948   0.3278453
113  1    109.052   1.17040   1340.00   150.000   10.7579   0.00195   108.754   0.29821   0.25479   10.7520   0.00596   3.06078   0.3609636
114  1    109.097   1.17040   1340.00   150.000   10.7562   0.00201   108.839   0.25819   0.22060   10.7511   0.00516   2.56000   0.3608799
115  1    109.504   1.57360   1700.00   150.000   10.7853   0.00200   110.232   -0.7274   0.46223   10.8001   -0.0148   7.40905   0.2566233
116  1    109.609   1.68560   1800.00   150.000   10.7947   0.00190   110.562   -0.9527   0.56519   10.8142   -0.0195   10.2564   0.2345002
117  1    109.780   1.74160   1850.00   150.000   10.7967   0.00186   110.857   -1.0771   0.61846   10.8188   -0.0220   11.8591   0.2243390
118  1    109.961   1.89840   1990.00   150.000   10.8103   0.00205   111.303   -1.3421   0.70697   10.8380   -0.0277   13.4851   0.1986545
119  1    110.057   1.98800   2070.00   150.000   10.8246   0.00238   111.243   -1.1862   0.59666   10.8492   -0.0246   10.3282   0.1856203
120  1    110.219   2.08880   2160.00   150.000   10.8499   0.00258   110.739   -0.5199   0.24889   10.8608   -0.0109   4.22103   0.1723494
121  1    110.303   2.18960   2250.00   150.000   10.8684   0.00300   110.571   -0.2687   0.12273   10.8741   -0.0057   1.88532   0.1602496
122  1    110.562   2.26800   2320.00   150.000   10.8737   0.00369   110.878   -0.3158   0.13923   10.8804   -0.0067   1.80966   0.1514915
123  1    110.756   2.36880   2410.00   150.000   10.8897   0.00549   110.842   -0.0856   0.03614   10.8915   -0.0018   0.33158   0.1407290
124  1    110.707   2.49200   2520.00   150.000   10.9341   0.00455   109.646   1.06097   0.42575   10.9113   0.02289   5.02503   0.1301428
125  1    110.928   2.57040   2590.00   150.000   10.9507   0.00494   109.444   1.48482   0.57766   10.9185   0.03220   6.51895   0.1236311
126  1    115.855   1.70800   1820.00   150.000   10.6051   0.00627   120.451   -4.5961   2.69093   10.6926   -0.0875   13.9662   0.2250803
127  1    116.306   1.71920   1830.00   150.000   10.5867   0.00644   121.517   -5.2113   3.03122   10.6854   -0.0986   15.3240   0.2227365
128  1    116.740   1.90960   2000.00   150.000   10.6019   0.00547   122.049   -5.3084   2.77985   10.7031   -0.1012   18.5026   0.1941362
129  1    117.407   1.97680   2060.00   150.000   10.6254   0.00423   121.270   -3.8628   1.95404   10.6994   -0.0740   17.4828   0.1859343
130  1    117.832   2.13360   2200.00   150.000   10.6403   0.00487   121.595   -3.7629   1.76363   10.7129   -0.0726   14.9085   0.1655321
131  1    118.498   2.30160   2350.00   150.000   10.6945   0.00651   119.967   -1.4696   0.63851   10.7232   -0.0288   4.42044   0.1463021
132  1    118.847   2.39120   2430.00   150.000   10.6958   0.00459   120.537   -1.6904   0.70693   10.7289   -0.0331   7.21499   0.1388736
133  1    118.550   1.90960   2000.00   150.000   10.6170   0.00962   121.241   -2.6906   1.40898   10.6681   -0.0511   5.30862   0.1877233
134  1    118.524   1.79760   1900.00   150.000   10.6004   0.00661   121.338   -2.8135   1.56514   10.6534   -0.0530   8.01824   0.2095155
135  1    118.494   1.68560   1800.00   150.000   10.5950   0.00854   120.834   -2.3403   1.38839   10.6389   -0.0439   5.13955   0.2239935
136  1    118.350   1.57360   1700.00   150.000   10.5935   0.00797   120.127   -1.7765   1.12894   10.6267   -0.0332   4.17101   0.2457958
137  1    118.373   1.46160   1600.00   150.000   10.5813   0.00963   119.993   -1.6202   1.10851   10.6114   -0.0301   3.12806   0.2623795
138  1    118.240   1.23760   1400.00   150.000   10.5803   0.00776   118.473   -0.2328   0.18810   10.5846   -0.0043   0.55383   0.3225231
139  1    117.627   0.00560   300.000   5.00000   10.5203   0.00793   113.721   3.90547   697.406   10.4516   0.06869   8.66323   5.0787997
140  1    118.231   0.00560   300.000   5.00000   10.5106   0.00645   114.264   3.96703   708.399   10.4412   0.06946   10.7740   7.5911174
141  1    122.968   0.00560   300.000   5.00000   10.4226   0.00636   119.315   3.65386   652.475   10.3610   0.06152   9.66868   7.1868439
142  1    123.164   0.00560   300.000   5.00000   10.4201   0.00776   119.459   3.70519   661.641   10.3578   0.06230   8.02434   4.8284311
143  1    126.236   0.00560   300.000   5.00000   10.3842   0.00674   121.581   4.65518   831.282   10.3075   0.07672   11.3772   6.1843996
144  1    128.752   1.15920   1330.00   150.000   10.4038   0.00358   127.894   0.85782   0.74001   10.3893   0.01453   4.05400   0.3607545
145  1    129.081   1.33840   1490.00   150.000   10.4080   0.00403   128.903   0.17776   0.13282   10.4050   0.00303   0.74975   0.3083605
146  1    129.340   1.52880   1660.00   150.000   10.4123   0.00374   129.988   -0.6479   0.42380   10.4234   -0.0111   2.96170   0.2638520
147  1    129.907   1.67440   1790.00   150.000   10.4083   0.00548   131.253   -1.3453   0.80343   10.4313   -0.0230   4.20390   0.2316479
148  1    130.211   1.82000   1920.00   150.000   10.4054   0.00417   132.451   -2.2405   1.23102   10.4439   -0.0385   9.21480   0.2089027
149  1    130.971   2.02160   2100.00   150.000   10.4075   0.00481   133.757   -2.7865   1.37837   10.4555   -0.0480   9.98742   0.1790316
150  1    131.695   2.17840   2240.00   150.000   10.4275   0.00481   133.701   -2.0057   0.92073   10.4622   -0.0348   7.22319   0.1601020
<-------------------------Observed Values---------------------------><----------------Calculated Values -------------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd       Wt
                                                                          GPa                       cm^3/mol
151  1    132.596   2.40240   2440.00   150.000   10.4586   0.00461   133.496   -0.8996   0.37444   10.4743   -0.0157   3.41696   0.1376036
152  1    146.495   0.00560   300.000   5.00000   10.0622   0.00479   142.297   4.19821   749.681   10.0025   0.05968   12.4657   9.0392904
153  1    146.468   0.00560   300.000   5.00000   10.0611   0.00504   142.372   4.09595   731.419   10.0029   0.05821   11.5436   8.1434927
154  1    148.509   1.20400   1370.00   150.000   10.0717   0.00428   149.355   -0.8461   0.70272   10.0840   -0.0123   2.88040   0.3428220
155  1    148.906   1.42800   1570.00   150.000   10.0720   0.00384   150.898   -1.9924   1.39521   10.1012   -0.0292   7.59303   0.2853822
156  1    149.347   1.60720   1730.00   150.000   10.0749   0.00383   151.962   -2.6149   1.62698   10.1133   -0.0384   10.0407   0.2465748
157  1    149.948   1.79760   1900.00   150.000   10.0739   0.00659   153.374   -3.4259   1.90580   10.1243   -0.0505   7.65593   0.2063485
158  1    39.0000   0.39000   300.000   5.00000   12.4836   0.06242   40.4816   -1.4816   3.79894   12.5468   -0.0632   1.01248   0.4357029
159  1    44.3000   0.44300   300.000   5.00000   12.3060   0.06153   44.8614   -0.5614   1.26724   12.3280   -0.0220   0.35830   0.3828651
160  1    112.300   1.12300   300.000   5.00000   10.5295   0.05265   113.209   -0.9087   0.80918   10.5458   -0.0164   0.31093   0.1035027
161  1    130.600   1.30600   300.000   5.00000   10.2750   0.05138   128.256   2.34442   1.79512   10.2380   0.03706   0.72128   0.0844382
162  1    148.500   1.48500   300.000   5.00000   10.0101   0.05005   145.958   2.54236   1.71203   9.97462   0.03545   0.70838   0.0686283
163  1    170.500   1.70500   300.000   5.00000   9.74209   0.04871   166.294   4.20593   2.46682   9.69076   0.05133   1.05379   0.0553069
164  1    185.500   1.85500   300.000   5.00000   9.47260   0.04736   189.609   -4.1087   2.21491   9.51757   -0.0450   0.94932   0.0451437
165  1    198.200   1.98200   300.000   5.00000   9.37926   0.04690   198.438   -0.2380   0.12008   9.38173   -0.0025   0.05247   0.0415494
166  1    214.500   2.14500   300.000   5.00000   9.23022   0.04615   213.424   1.07648   0.50185   9.21993   0.01029   0.22288   0.0366677
167  1    68.9000   0.68900   300.000   5.00000   11.5487   0.05774   67.7018   1.19817   1.73899   11.5150   0.03367   0.58309   0.2205735
168  1    84.8000   0.84800   300.000   5.00000   11.0745   0.05537   86.3218   -1.5218   1.79453   11.1097   -0.0352   0.63642   0.1565900
169  1    101.200   1.01200   300.000   5.00000   10.7342   0.05367   102.320   -1.1202   1.10696   10.7564   -0.0222   0.41357   0.1210718
170  1    70.3000   0.70300   300.000   5.00000   11.4749   0.05737   70.3500   -0.0500   0.07117   11.4763   -0.0014   0.02395   0.2097562
171  1    43.2000   0.43200   300.000   5.00000   12.3933   0.06197   42.6680   0.53199   1.23146   12.3718   0.02148   0.34657   0.4058683
172  1    49.3000   0.49300   300.000   5.00000   12.2051   0.06103   47.4969   1.80306   3.65733   12.1385   0.06662   1.09167   0.3534701
173  1    56.3000   0.56300   300.000   5.00000   11.8317   0.05916   58.2908   -1.9908   3.53613   11.8963   -0.0646   1.09117   0.2736713
174  1    58.9000   0.58900   300.000   5.00000   11.8377   0.05919   58.1028   0.79720   1.35348   11.8123   0.02542   0.42951   0.2724624
175  1    64.7000   0.64700   300.000   5.00000   11.6752   0.05838   63.3547   1.34525   2.07921   11.6353   0.03988   0.68316   0.2417519
176  1    67.2000   0.67200   300.000   5.00000   11.5863   0.05793   66.3831   0.81688   1.21559   11.5629   0.02339   0.40370   0.2269742
177  1    110.600   1.10600   300.000   5.00000   10.5445   0.05272   112.373   -1.7727   1.60284   10.5768   -0.0323   0.61222   0.1049219
178  1    120.100   1.20100   300.000   5.00000   10.3654   0.05183   122.708   -2.6082   2.17168   10.4092   -0.0438   0.84557   0.0915657

  FITTING STATISTICS FOR 1 PARAMETERS FITTED TO 178 DATA:
      CHI^2 (WEIGHTED)=  30.7868
      MAXIMUM DELTA-PRESSURE=-5.308


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      Gamm0
    Gamm0:     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     Gamm0
    Gamm0:   0.04814

 UPDATE EOS PARAMETERS (Y/N)?y
                                       FURTHER CALCULATIONS (Y/N)?n

EOSFIT-7.6>save /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/all-author-rows-gamma-errors/fitted.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 12-mars-2024 at 18:44
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  15.3700           :Reference pressure volume: units are cm^3/mol
      K0:  115.490           :Bulk modulus: units are GPa
      Kp:  4.99000           :dK/dP: dimensionless
     Kpp: -0.0507            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   298.00 K
 
   ThMGD:  417.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.5(2)            :Gruneisen parameter at Tref,Pref
       q:  1.00000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

      Do you want to save this EoS to file (Y/N) <Y>?y


Successfully opened file for eos
Named /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/all-author-rows-gamma-errors/fitted.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/all-author-rows-gamma-errors/fitted.eos


EOSFIT-7.6>exit
