***********************************************************************************************************************
*                                                                                                                     *
*                                                     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-joint-unit/run.mcr

***** Running macro

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


Successfully opened Log file
Named /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/all-author-rows-joint-unit/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)?y
           REFINE K0     (Y/N)?y
           REFINE Kp     (Y/N)?y
     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)?n
     SIGMAS FOR T   PRESENT, USE IN WEIGHTS (Y/N)?n
     SIGMAS FOR V   PRESENT, USE IN WEIGHTS (Y/N)?n

     EQUATION FITTED WITH UNIT WEIGHTS FOR ALL DATA




   RESULTS FROM CYCLE  1
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      1        16.03487          0.66487          0.10742           6.19
 K0      1        79.28168        -36.20832          7.16556          -5.05
 Kp      1         5.52008          0.53008          0.15564           3.41
 Kpp     0        -0.09737  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       416.99997  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.23995         -0.17676          0.07518          -2.35
 q       0         1.00000  [NOT REFINED]
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 298.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED


   RESULTS FROM CYCLE  2
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      1        16.25037          0.21549          0.57388           0.38
 K0      1        76.82796         -2.45372         24.85879          -0.10
 Kp      1         5.70535          0.18526          0.76294           0.24
 Kpp     0        -0.11067  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       416.99997  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.26071          0.02076          0.25019           0.08
 q       0         1.00000  [NOT REFINED]
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 298.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED


   RESULTS FROM CYCLE  3
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      1        16.25315          0.00278          0.17001           0.02
 K0      1        76.57043         -0.25753          7.04104          -0.04
 Kp      1         5.71202          0.00667          0.22386           0.03
 Kpp     0        -0.11143  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       416.99997  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.26223          0.00151          0.07045           0.02
 q       0         1.00000  [NOT REFINED]
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 298.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED


   RESULTS FROM CYCLE  4
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      1        16.25331          0.00015          0.17028           0.00
 K0      1        76.56376         -0.00667          7.03096          -0.00
 Kp      1         5.71226          0.00024          0.22453           0.00
 Kpp     0        -0.11145  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       416.99997  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.26228          0.00006          0.07035           0.00
 q       0         1.00000  [NOT REFINED]
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 298.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED


***********************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      1        16.25331          0.00015          0.17028           0.00
 K0      1        76.56376         -0.00667          7.03096          -0.00
 Kp      1         5.71226          0.00024          0.22453           0.00
 Kpp     0        -0.11145  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       416.99997  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.26228          0.00006          0.07035           0.00
 q       0         1.00000  [NOT REFINED]
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 298.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED

 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   29.0893   0.50715   0.39205   13.6538   0.03737   12.4241   1.0000000
  2  1    29.6173   1.38320   1530.00   150.000   13.7498   0.00330   28.8617   0.75554   0.54622   13.6929   0.05683   17.2232   1.0000000
  3  1    29.6810   1.47280   1610.00   150.000   13.7994   0.00363   28.7680   0.91306   0.61995   13.7295   0.06994   19.2834   1.0000000
  4  1    29.9049   1.58480   1710.00   150.000   13.8947   0.00426   28.2563   1.64859   1.04025   13.7649   0.12978   30.4871   1.0000000
  5  1    33.1277   1.09200   1270.00   150.000   13.3751   0.00163   32.4045   0.72318   0.66226   13.3286   0.04654   28.6203   1.0000000
  6  1    33.2312   1.18160   1350.00   150.000   13.4019   0.00199   32.5443   0.68687   0.58131   13.3572   0.04472   22.4460   1.0000000
  7  1    33.4179   1.31600   1470.00   150.000   13.4595   0.00519   32.5047   0.91327   0.69397   13.3987   0.06074   11.7006   1.0000000
  8  1    33.4179   1.31600   1470.00   150.000   13.4595   0.00519   32.5047   0.91327   0.69397   13.3987   0.06074   11.7006   1.0000000
  9  1    41.6518   1.03600   1220.00   150.000   12.8111   0.00274   41.8732   -0.2214   0.21369   12.8224   -0.0113   4.13062   1.0000000
 10  1    41.7693   1.15920   1330.00   150.000   12.8350   0.00263   42.1611   -0.3917   0.33795   12.8553   -0.0203   7.73221   1.0000000
 11  1    41.6736   1.26000   1420.00   150.000   12.8648   0.00241   42.2041   -0.5304   0.42099   12.8927   -0.0279   11.5834   1.0000000
 12  1    41.9291   1.36080   1510.00   150.000   12.9202   0.00185   41.7762   0.15294   0.11239   12.9120   0.00817   4.41008   1.0000000
 13  1    41.8033   1.43920   1580.00   150.000   12.9554   0.00343   41.6047   0.19869   0.13806   12.9446   0.01078   3.14150   1.0000000
 14  1    41.9176   1.50640   1640.00   150.000   12.9752   0.00226   41.6545   0.26313   0.17467   12.9609   0.01438   6.37102   1.0000000
 15  1    42.1986   1.62960   1750.00   150.000   13.0096   0.00374   41.7898   0.40878   0.25085   12.9870   0.02264   6.06011   1.0000000
 16  1    42.6556   1.78640   1890.00   150.000   13.0418   0.00396   42.1817   0.47395   0.26531   13.0152   0.02659   6.71886   1.0000000
 17  1    45.1681   1.06960   1250.00   150.000   12.6349   0.00424   45.6626   -0.4945   0.46233   12.6584   -0.0235   5.55104   1.0000000
 18  1    44.9994   1.17040   1340.00   150.000   12.6735   0.00406   45.4703   -0.4709   0.40233   12.6962   -0.0228   5.61054   1.0000000
 19  1    44.9909   1.24880   1410.00   150.000   12.6937   0.00419   45.5311   -0.5403   0.43262   12.7201   -0.0264   6.30186   1.0000000
 20  1    44.9010   1.38320   1530.00   150.000   12.7792   0.00235   44.6278   0.27316   0.19748   12.7655   0.01373   5.83580   1.0000000
 21  1    44.8590   1.52880   1660.00   150.000   12.8025   0.00322   45.0624   -0.2034   0.13307   12.8129   -0.0104   3.22646   1.0000000
 22  1    44.9072   1.64080   1760.00   150.000   12.8579   0.00294   44.6767   0.23050   0.14048   12.8459   0.01199   4.07463   1.0000000
 23  1    44.9390   1.74160   1850.00   150.000   12.9170   0.00362   44.1772   0.76182   0.43743   12.8766   0.04040   11.1655   1.0000000
 24  1    45.0022   1.84240   1940.00   150.000   12.9424   0.00392   44.3273   0.67492   0.36632   12.9061   0.03621   9.22887   1.0000000
 25  1    45.0678   1.90960   2000.00   150.000   12.9831   0.00433   43.9948   1.07298   0.56189   12.9248   0.05831   13.4618   1.0000000
 26  1    45.1985   2.02160   2100.00   150.000   13.0163   0.00520   44.0869   1.11155   0.54984   12.9550   0.06124   11.7812   1.0000000
 27  1    45.2392   2.12240   2190.00   150.000   13.1059   0.00466   43.1334   2.10583   0.99219   12.9869   0.11907   25.5280   1.0000000
 28  1    45.3343   2.23440   2290.00   150.000   13.1217   0.00493   43.5539   1.78042   0.79682   13.0200   0.10174   20.6451   1.0000000
 29  1    54.1843   1.03600   1220.00   150.000   12.2173   0.00381   55.1360   -0.9517   0.91862   12.2551   -0.0378   9.91956   1.0000000
 30  1    54.2740   1.08080   1260.00   150.000   12.2298   0.00219   55.0924   -0.8183   0.75716   12.2625   -0.0327   14.9071   1.0000000
 31  1    54.2970   1.17040   1340.00   150.000   12.2497   0.00200   55.1390   -0.8420   0.71940   12.2836   -0.0339   16.9885   1.0000000
 32  1    54.2284   1.27120   1430.00   150.000   12.2735   0.00174   55.1646   -0.9362   0.73645   12.3116   -0.0382   21.8780   1.0000000
 33  1    54.1407   1.32720   1480.00   150.000   12.3060   0.00205   54.7090   -0.5683   0.42819   12.3294   -0.0234   11.4237   1.0000000
 34  1    54.1687   1.43920   1580.00   150.000   12.3360   0.00247   54.6675   -0.4987   0.34654   12.3569   -0.0208   8.43567   1.0000000
 35  1    54.2215   1.55120   1680.00   150.000   12.3761   0.00333   54.4003   -0.1788   0.11527   12.3836   -0.0076   2.27730   1.0000000
 36  1    54.2202   1.62960   1750.00   150.000   12.4059   0.00459   54.1810   0.03923   0.02408   12.4042   0.00168   0.36620   1.0000000
 37  1    54.2211   1.69680   1810.00   150.000   12.4246   0.00480   54.1597   0.06136   0.03616   12.4220   0.00265   0.55234   1.0000000
 38  1    54.2430   1.77520   1880.00   150.000   12.4577   0.00387   53.8810   0.36197   0.20391   12.4419   0.01582   4.08330   1.0000000
 39  1    54.2302   1.84240   1940.00   150.000   12.4692   0.00403   54.0347   0.19548   0.10610   12.4606   0.00860   2.13450   1.0000000
 40  1    54.2358   1.93200   2020.00   150.000   12.4928   0.00415   54.0537   0.18213   0.09427   12.4847   0.00810   1.94930   1.0000000
 41  1    54.2892   2.04400   2120.00   150.000   12.5412   0.00433   53.6683   0.62094   0.30379   12.5131   0.02807   6.47454   1.0000000
 42  1    54.2243   2.13360   2200.00   150.000   12.5874   0.00492   53.2140   1.01023   0.47349   12.5410   0.04640   9.42875   1.0000000
 43  1    57.9981   1.12560   1300.00   150.000   12.0882   0.00309   59.0510   -1.0529   0.93541   12.1277   -0.0396   12.8054   1.0000000
 44  1    58.0563   1.24880   1410.00   150.000   12.1189   0.00340   58.9837   -0.9274   0.74260   12.1542   -0.0353   10.3944   1.0000000
 45  1    58.0852   1.30480   1460.00   150.000   12.1069   0.00322   59.6443   -1.5591   1.19487   12.1663   -0.0593   18.4392   1.0000000
 46  1    58.1264   1.37200   1520.00   150.000   12.1202   0.00278   59.7026   -1.5762   1.14882   12.1806   -0.0604   21.7029   1.0000000
 47  1    58.2363   1.49520   1630.00   150.000   12.1343   0.00286   60.0884   -1.8521   1.23872   12.2058   -0.0715   24.9856   1.0000000
 48  1    58.3077   1.57360   1700.00   150.000   12.1412   0.00285   60.3882   -2.0805   1.32212   12.2219   -0.0808   28.2940   1.0000000
 49  1    58.5404   1.65200   1770.00   150.000   12.1615   0.00263   60.3380   -1.7976   1.08816   12.2318   -0.0703   26.6757   1.0000000
 50  1    58.6663   1.74160   1850.00   150.000   12.2155   0.00254   59.5038   -0.8375   0.48090   12.2488   -0.0333   13.0899   1.0000000
<-------------------------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   59.7057   -0.9055   0.49447   12.2655   -0.0362   10.6487   1.0000000
 52  1    58.8179   1.92080   2010.00   150.000   12.2410   0.00282   59.9632   -1.1452   0.59624   12.2871   -0.0461   16.3386   1.0000000
 53  1    58.9342   1.98800   2070.00   150.000   12.2517   0.00379   60.1083   -1.1741   0.59062   12.2993   -0.0475   12.5404   1.0000000
 54  1    59.1212   2.11120   2180.00   150.000   12.2582   0.00401   60.7081   -1.5868   0.75162   12.3228   -0.0647   16.1193   1.0000000
 55  1    59.2891   2.18960   2250.00   150.000   12.2825   0.00503   60.5877   -1.2986   0.59310   12.3359   -0.0534   10.5997   1.0000000
 56  1    59.3838   2.27920   2330.00   150.000   12.2960   0.00797   60.8108   -1.4270   0.62610   12.3550   -0.0591   7.40760   1.0000000
 57  1    63.7709   1.12560   1300.00   150.000   11.9336   0.00325   63.3467   0.42421   0.37687   11.9189   0.01470   4.52012   1.0000000
 58  1    63.6024   1.17040   1340.00   150.000   11.9445   0.00340   63.3092   0.29322   0.25053   11.9342   0.01022   3.00473   1.0000000
 59  1    63.4838   1.26000   1420.00   150.000   11.9511   0.00291   63.6677   -0.1839   0.14595   11.9575   -0.0065   2.22084   1.0000000
 60  1    63.4353   1.32720   1480.00   150.000   11.9541   0.00321   63.9929   -0.5576   0.42011   11.9737   -0.0197   6.11683   1.0000000
 61  1    63.4263   1.40560   1550.00   150.000   11.9585   0.00173   64.3475   -0.9212   0.65535   11.9911   -0.0326   18.9000   1.0000000
 62  1    63.4708   1.49520   1630.00   150.000   11.9638   0.00191   64.7455   -1.2747   0.85255   12.0092   -0.0454   23.7337   1.0000000
 63  1    63.4788   1.55120   1680.00   150.000   11.9712   0.00200   64.8783   -1.3995   0.90220   12.0213   -0.0501   25.0218   1.0000000
 64  1    63.4561   1.64080   1760.00   150.000   11.9931   0.00234   64.8118   -1.3556   0.82621   12.0421   -0.0489   20.9395   1.0000000
 65  1    63.4578   1.71920   1830.00   150.000   12.0148   0.00190   64.6889   -1.2311   0.71606   12.0597   -0.0448   23.6297   1.0000000
 66  1    63.4820   1.79760   1900.00   150.000   12.0369   0.00200   64.5615   -1.0796   0.60056   12.0766   -0.0397   19.8835   1.0000000
 67  1    63.4522   1.88720   1980.00   150.000   12.0586   0.00209   64.5201   -1.0679   0.56586   12.0983   -0.0396   18.9572   1.0000000
 68  1    63.5647   1.97680   2060.00   150.000   12.0860   0.00276   64.3320   -0.7673   0.38818   12.1148   -0.0287   10.4282   1.0000000
 69  1    63.7663   2.11120   2180.00   150.000   12.1086   0.00246   64.5575   -0.7912   0.37474   12.1385   -0.0299   12.1645   1.0000000
 70  1    63.8600   2.22320   2280.00   150.000   12.1319   0.00476   64.6302   -0.7702   0.34645   12.1614   -0.0295   6.19457   1.0000000
 71  1    63.9175   2.32400   2370.00   150.000   12.1586   0.00333   64.5547   -0.6373   0.27421   12.1832   -0.0246   7.38942   1.0000000
 72  1    64.2285   2.38000   2420.00   150.000   12.1793   0.00397   64.3635   -0.1350   0.05672   12.1845   -0.0052   1.32060   1.0000000
 73  1    64.2644   2.48080   2510.00   150.000   12.2193   0.00305   63.9645   0.29992   0.12090   12.2075   0.01181   3.87198   1.0000000
 74  1    64.1073   2.51440   2540.00   150.000   12.2414   0.00389   63.6155   0.49183   0.19560   12.2218   0.01953   5.02026   1.0000000
 75  1    62.2692   0.00560   300.000   5.00000   11.8284   0.00423   59.9835   2.28569   408.160   11.7542   0.07426   17.5723   1.0000000
 76  1    63.9256   0.00560   300.000   5.00000   11.7776   0.00327   61.5394   2.38626   426.117   11.7019   0.07575   23.1644   1.0000000
 77  1    64.1117   0.00560   300.000   5.00000   11.7685   0.00337   61.8241   2.28759   408.498   11.6961   0.07237   21.4849   1.0000000
 78  1    66.7763   0.00560   300.000   5.00000   11.7099   0.00374   63.6688   3.10749   554.910   11.6147   0.09525   25.4507   1.0000000
 79  1    83.7593   1.26000   1420.00   150.000   11.3320   0.00310   84.0427   -0.2833   0.22487   11.3396   -0.0075   2.42584   1.0000000
 80  1    83.8346   1.33840   1490.00   150.000   11.3408   0.00342   84.1896   -0.3550   0.26524   11.3503   -0.0095   2.76428   1.0000000
 81  1    83.9210   1.41680   1560.00   150.000   11.3793   0.00341   83.2323   0.68871   0.48610   11.3608   0.01856   5.44732   1.0000000
 82  1    84.2479   1.55120   1680.00   150.000   11.3832   0.00317   83.9131   0.33476   0.21581   11.3741   0.00906   2.85896   1.0000000
 83  1    84.3992   1.61840   1740.00   150.000   11.3958   0.00245   83.8624   0.53681   0.33169   11.3812   0.01459   5.94979   1.0000000
 84  1    84.4442   1.69680   1810.00   150.000   11.4169   0.00298   83.5722   0.87203   0.51393   11.3930   0.02388   8.00561   1.0000000
 85  1    84.4649   1.77520   1880.00   150.000   11.4405   0.00254   83.2014   1.26352   0.71176   11.4056   0.03489   13.7182   1.0000000
 86  1    84.4635   1.86480   1960.00   150.000   11.4697   0.00311   82.7094   1.75407   0.94062   11.4208   0.04893   15.7260   1.0000000
 87  1    84.4695   1.97680   2060.00   150.000   11.4935   0.00347   82.5585   1.91096   0.96670   11.4397   0.05383   15.4945   1.0000000
 88  1    84.3718   2.10000   2170.00   150.000   11.5201   0.00710   82.3910   1.98079   0.94323   11.4636   0.05645   7.95493   1.0000000
 89  1    84.3526   2.17840   2240.00   150.000   11.5093   0.00636   83.2494   1.10320   0.50643   11.4778   0.03146   4.94912   1.0000000
 90  1    84.3375   2.27920   2330.00   150.000   11.5127   0.00536   83.7505   0.58701   0.25755   11.4959   0.01682   3.13653   1.0000000
 91  1    84.6732   2.40240   2440.00   150.000   11.5493   0.00623   83.2467   1.42655   0.59380   11.5080   0.04134   6.63645   1.0000000
 92  1    84.6227   2.48080   2510.00   150.000   11.5593   0.00717   83.3912   1.23151   0.49642   11.5234   0.03590   5.00355   1.0000000
 93  1    92.4086   1.47280   1610.00   150.000   11.2251   0.00678   89.4830   2.92564   1.98645   11.1526   0.07250   10.6868   1.0000000
 94  1    92.4186   1.69680   1810.00   150.000   11.2227   0.00358   90.9491   1.46956   0.86608   11.1860   0.03669   10.2539   1.0000000
 95  1    92.8268   1.80880   1910.00   150.000   11.2112   0.00237   92.0965   0.73032   0.40376   11.1929   0.01821   7.68901   1.0000000
 96  1    92.8125   1.57360   1700.00   150.000   11.1687   0.00178   92.3680   0.44450   0.28248   11.1578   0.01089   6.11197   1.0000000
 97  1    92.7971   1.46160   1600.00   150.000   11.1515   0.00176   92.3834   0.41365   0.28301   11.1415   0.01005   5.72144   1.0000000
 98  1    93.0799   1.75280   1860.00   150.000   11.1817   0.00201   92.9385   0.14139   0.08066   11.1782   0.00349   1.73626   1.0000000
 99  1    93.2651   1.84240   1940.00   150.000   11.1913   0.00212   93.1009   0.16428   0.08916   11.1872   0.00407   1.92124   1.0000000
100  1    93.4954   1.95440   2040.00   150.000   11.2110   0.00321   92.9984   0.49700   0.25430   11.1986   0.01241   3.87197   1.0000000
<-------------------------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   92.7845   0.82908   0.40562   11.2094   0.02085   8.20208   1.0000000
102  1    93.7267   2.16720   2230.00   150.000   11.2543   0.00216   92.5956   1.13119   0.52196   11.2256   0.02871   13.2934   1.0000000
103  1    94.0063   2.34640   2390.00   150.000   11.2760   0.00251   92.8541   1.15220   0.49105   11.2465   0.02954   11.7619   1.0000000
104  1    94.0082   2.44720   2480.00   150.000   11.3215   0.00372   91.7286   2.27965   0.93153   11.2623   0.05927   15.9370   1.0000000
105  1    94.2592   2.52560   2550.00   150.000   11.3215   0.00436   92.2144   2.04477   0.80962   11.2682   0.05324   12.2221   1.0000000
106  1    108.263   1.60720   1730.00   150.000   10.7922   0.00317   109.340   -1.0774   0.67037   10.8145   -0.0223   7.03772   1.0000000
107  1    108.554   1.68560   1800.00   150.000   10.7938   0.00283   109.741   -1.1869   0.70412   10.8184   -0.0246   8.67938   1.0000000
108  1    109.100   1.87600   1970.00   150.000   10.8120   0.00211   110.030   -0.9302   0.49585   10.8314   -0.0194   9.21316   1.0000000
109  1    109.347   1.61840   1740.00   150.000   10.7955   0.00192   109.246   0.10127   0.06258   10.7934   0.00209   1.08752   1.0000000
110  1    109.266   1.49520   1630.00   150.000   10.7872   0.00176   108.900   0.36623   0.24493   10.7797   0.00750   4.27106   1.0000000
111  1    109.210   1.39440   1540.00   150.000   10.7761   0.00180   108.826   0.38417   0.27551   10.7682   0.00783   4.35107   1.0000000
112  1    109.146   1.28240   1440.00   150.000   10.7658   0.00176   108.649   0.49698   0.38754   10.7557   0.01007   5.71525   1.0000000
113  1    109.052   1.17040   1340.00   150.000   10.7579   0.00195   108.356   0.69569   0.59440   10.7439   0.01404   7.21073   1.0000000
114  1    109.097   1.17040   1340.00   150.000   10.7562   0.00201   108.440   0.65666   0.56106   10.7430   0.01324   6.57257   1.0000000
115  1    109.504   1.57360   1700.00   150.000   10.7853   0.00200   109.469   0.03558   0.02261   10.7846   0.00073   0.36505   1.0000000
116  1    109.609   1.68560   1800.00   150.000   10.7947   0.00190   109.698   -0.0893   0.05297   10.7965   -0.0018   0.96879   1.0000000
117  1    109.780   1.74160   1850.00   150.000   10.7967   0.00186   109.942   -0.1616   0.09278   10.8001   -0.0033   1.79366   1.0000000
118  1    109.961   1.89840   1990.00   150.000   10.8103   0.00205   110.247   -0.2859   0.15059   10.8163   -0.0059   2.89510   1.0000000
119  1    110.057   1.98800   2070.00   150.000   10.8246   0.00238   110.110   -0.0534   0.02688   10.8257   -0.0011   0.46870   1.0000000
120  1    110.219   2.08880   2160.00   150.000   10.8499   0.00258   109.526   0.69284   0.33169   10.8353   0.01460   5.66640   1.0000000
121  1    110.303   2.18960   2250.00   150.000   10.8684   0.00300   109.275   1.02804   0.46951   10.8466   0.02182   7.26323   1.0000000
122  1    110.562   2.26800   2320.00   150.000   10.8737   0.00369   109.510   1.05230   0.46398   10.8513   0.02239   6.07220   1.0000000
123  1    110.756   2.36880   2410.00   150.000   10.8897   0.00549   109.388   1.36807   0.57754   10.8604   0.02928   5.33606   1.0000000
124  1    110.707   2.49200   2520.00   150.000   10.9341   0.00455   108.104   2.60221   1.04423   10.8776   0.05652   12.4078   1.0000000
125  1    110.928   2.57040   2590.00   150.000   10.9507   0.00494   107.839   3.08929   1.20187   10.8832   0.06744   13.6536   1.0000000
126  1    115.855   1.70800   1820.00   150.000   10.6051   0.00627   119.466   -3.6116   2.11452   10.6742   -0.0691   11.0288   1.0000000
127  1    116.306   1.71920   1830.00   150.000   10.5867   0.00644   120.514   -4.2082   2.44778   10.6668   -0.0800   12.4312   1.0000000
128  1    116.740   1.90960   2000.00   150.000   10.6019   0.00547   120.872   -4.1312   2.16339   10.6810   -0.0791   14.4586   1.0000000
129  1    117.407   1.97680   2060.00   150.000   10.6254   0.00423   120.039   -2.6324   1.33167   10.6761   -0.0506   11.9623   1.0000000
130  1    117.832   2.13360   2200.00   150.000   10.6403   0.00487   120.223   -2.3905   1.12042   10.6866   -0.0463   9.50492   1.0000000
131  1    118.498   2.30160   2350.00   150.000   10.6945   0.00651   118.462   0.03559   0.01546   10.6938   0.00070   0.10755   1.0000000
132  1    118.847   2.39120   2430.00   150.000   10.6958   0.00459   118.947   -0.1006   0.04205   10.6978   -0.0020   0.43057   1.0000000
133  1    118.550   1.90960   2000.00   150.000   10.6170   0.00962   120.070   -1.5202   0.79606   10.6460   -0.0290   3.01113   1.0000000
134  1    118.524   1.79760   1900.00   150.000   10.6004   0.00661   120.266   -1.7418   0.96898   10.6333   -0.0330   4.98460   1.0000000
135  1    118.494   1.68560   1800.00   150.000   10.5950   0.00854   119.867   -1.3727   0.81435   10.6209   -0.0259   3.02741   1.0000000
136  1    118.350   1.57360   1700.00   150.000   10.5935   0.00797   119.264   -0.9143   0.58099   10.6106   -0.0172   2.15667   1.0000000
137  1    118.373   1.46160   1600.00   150.000   10.5813   0.00963   119.231   -0.8586   0.58743   10.5973   -0.0160   1.66568   1.0000000
138  1    118.240   1.23760   1400.00   150.000   10.5803   0.00776   117.922   0.31783   0.25681   10.5744   0.00590   0.76028   1.0000000
139  1    117.627   0.00560   300.000   5.00000   10.5203   0.00793   114.245   3.38161   603.860   10.4603   0.06002   7.56961   1.0000000
140  1    118.231   0.00560   300.000   5.00000   10.5106   0.00645   114.784   3.44742   615.610   10.4497   0.06089   9.44500   1.0000000
141  1    122.968   0.00560   300.000   5.00000   10.4226   0.00636   119.801   3.16703   565.541   10.3689   0.05370   8.43924   1.0000000
142  1    123.164   0.00560   300.000   5.00000   10.4201   0.00776   119.945   3.21925   574.865   10.3656   0.05451   7.02010   1.0000000
143  1    126.236   0.00560   300.000   5.00000   10.3842   0.00674   122.056   4.18018   746.461   10.3149   0.06930   10.2772   1.0000000
144  1    128.752   1.15920   1330.00   150.000   10.4038   0.00358   127.356   1.39606   1.20433   10.3801   0.02370   6.61260   1.0000000
145  1    129.081   1.33840   1490.00   150.000   10.4080   0.00403   128.197   0.88348   0.66010   10.3929   0.01506   3.73243   1.0000000
146  1    129.340   1.52880   1660.00   150.000   10.4123   0.00374   129.104   0.23642   0.15464   10.4083   0.00405   1.08140   1.0000000
147  1    129.907   1.67440   1790.00   150.000   10.4083   0.00548   130.230   -0.3223   0.19248   10.4138   -0.0055   1.00770   1.0000000
148  1    130.211   1.82000   1920.00   150.000   10.4054   0.00417   131.290   -1.0788   0.59277   10.4239   -0.0185   4.43629   1.0000000
149  1    130.971   2.02160   2100.00   150.000   10.4075   0.00481   132.405   -1.4341   0.70936   10.4322   -0.0247   5.13629   1.0000000
150  1    131.695   2.17840   2240.00   150.000   10.4275   0.00481   132.205   -0.5098   0.23404   10.4363   -0.0088   1.83378   1.0000000
<-------------------------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   131.796   0.80034   0.33314   10.4446   0.01399   3.03520   1.0000000
152  1    146.495   0.00560   300.000   5.00000   10.0622   0.00479   142.740   3.75485   670.509   10.0089   0.05334   11.1414   1.0000000
153  1    146.468   0.00560   300.000   5.00000   10.0611   0.00504   142.816   3.65242   652.218   10.0092   0.05187   10.2865   1.0000000
154  1    148.509   1.20400   1370.00   150.000   10.0717   0.00428   148.754   -0.2453   0.20373   10.0752   -0.0036   0.83140   1.0000000
155  1    148.906   1.42800   1570.00   150.000   10.0720   0.00384   150.087   -1.1814   0.82734   10.0892   -0.0172   4.48030   1.0000000
156  1    149.347   1.60720   1730.00   150.000   10.0749   0.00383   150.982   -1.6347   1.01712   10.0988   -0.0239   6.24271   1.0000000
157  1    149.948   1.79760   1900.00   150.000   10.0739   0.00659   152.214   -2.2660   1.26057   10.1071   -0.0332   5.03277   1.0000000
158  1    39.0000   0.39000   300.000   5.00000   12.4836   0.06242   42.7730   -3.7730   9.67433   12.6564   -0.1728   2.76781   1.0000000
159  1    44.3000   0.44300   300.000   5.00000   12.3060   0.06153   46.9603   -2.6603   6.00517   12.4172   -0.1113   1.80816   1.0000000
160  1    112.300   1.12300   300.000   5.00000   10.5295   0.05265   113.736   -1.4365   1.27915   10.5556   -0.0261   0.49666   1.0000000
161  1    130.600   1.30600   300.000   5.00000   10.2750   0.05138   128.705   1.89458   1.45067   10.2450   0.03007   0.58523   1.0000000
162  1    148.500   1.48500   300.000   5.00000   10.0101   0.05005   146.409   2.09097   1.40806   9.98095   0.02912   0.58173   1.0000000
163  1    170.500   1.70500   300.000   5.00000   9.74209   0.04871   166.858   3.64160   2.13584   9.69795   0.04414   0.90609   1.0000000
164  1    185.500   1.85500   300.000   5.00000   9.47260   0.04736   190.432   -4.9324   2.65897   9.52598   -0.0534   1.12698   1.0000000
165  1    198.200   1.98200   300.000   5.00000   9.37926   0.04690   199.393   -1.1929   0.60185   9.39143   -0.0122   0.25946   1.0000000
166  1    214.500   2.14500   300.000   5.00000   9.23022   0.04615   214.640   -0.1396   0.06510   9.23154   -0.0013   0.02850   1.0000000
167  1    68.9000   0.68900   300.000   5.00000   11.5487   0.05774   69.0083   -0.1083   0.15718   11.5518   -0.0032   0.05465   1.0000000
168  1    84.8000   0.84800   300.000   5.00000   11.0745   0.05537   87.1988   -2.3988   2.82871   11.1314   -0.0569   1.02771   1.0000000
169  1    101.200   1.01200   300.000   5.00000   10.7342   0.05367   102.955   -1.7548   1.73402   10.7695   -0.0353   0.65770   1.0000000
170  1    70.3000   0.70300   300.000   5.00000   11.4749   0.05737   71.5847   -1.2847   1.82747   11.5114   -0.0365   0.63575   1.0000000
171  1    43.2000   0.43200   300.000   5.00000   12.3933   0.06197   44.8615   -1.6615   3.84604   12.4648   -0.0716   1.15499   1.0000000
172  1    49.3000   0.49300   300.000   5.00000   12.2051   0.06103   49.4869   -0.1869   0.37919   12.2124   -0.0073   0.11983   1.0000000
173  1    56.3000   0.56300   300.000   5.00000   11.8317   0.05916   59.8843   -3.5843   6.36644   11.9536   -0.1218   2.05952   1.0000000
174  1    58.9000   0.58900   300.000   5.00000   11.8377   0.05919   59.7026   -0.8026   1.36261   11.8645   -0.0268   0.45247   1.0000000
175  1    64.7000   0.64700   300.000   5.00000   11.6752   0.05838   64.7873   -0.0873   0.13497   11.6778   -0.0027   0.04620   1.0000000
176  1    67.2000   0.67200   300.000   5.00000   11.5863   0.05793   67.7268   -0.5268   0.78389   11.6020   -0.0157   0.27027   1.0000000
177  1    110.600   1.10600   300.000   5.00000   10.5445   0.05272   112.907   -2.3071   2.08598   10.5870   -0.0425   0.80546   1.0000000
178  1    120.100   1.20100   300.000   5.00000   10.3654   0.05183   123.178   -3.0778   2.56271   10.4174   -0.0521   1.00481   1.0000000

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 178 DATA:
      MAXIMUM DELTA-PRESSURE=-4.932


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      V0        K0        Kp        Gamm0
    V0   :     100.0     -98.4      92.5      23.4
    K0   :     -98.4     100.0     -97.7     -36.9
    Kp   :      92.5     -97.7     100.0      49.3
    Gamm0:      23.4     -36.9      49.3     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     V0        K0        Kp        Gamm0
    V0   :   0.02900  -1.17830   0.03539   0.00280
    K0   :  -1.17830  49.43436  -1.54304  -0.18256
    Kp   :   0.03539  -1.54304   0.05042   0.00779
    Gamm0:   0.00280  -0.18256   0.00779   0.00495

 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-joint-unit/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:  16.25(17)         :Reference pressure volume: units are cm^3/mol
      K0:  77(7)             :Bulk modulus: units are GPa
      Kp:  5.7(2)            :dK/dP: dimensionless
     Kpp: -0.1114            :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:  2.26(7)           :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-joint-unit/fitted.eos


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


EOSFIT-7.6>exit
