***********************************************************************************************************************
*                                                                                                                     *
*                                                     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: 16-OCT-2026 10:33                                                                     *
*                                                                                                                     *
***********************************************************************************************************************

EOSFIT-7.6>

Successfully opened file for macros
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_dac/weighted_precise_theta/run.mcr

***** Running macro

EOSFIT-7.6>log /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_dac/weighted_precise_theta/run.log


Successfully opened Log file
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_dac/weighted_precise_theta/run.log


EOSFIT-7.6>read /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_dac/weighted_precise_theta/input.dat


Successfully opened data file
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_dac/weighted_precise_theta/input.dat



        The title on the file is: Farla2025 rbbr printed observations
             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:  Farla2025 rbbr printed observations

  THE 123 LOADED DATA ARE AS FOLLOWS:
<------------------------Observed Values-------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)
              GPA                                  CM^3/MOL
  1  1    1.19000   0.00000   300.000   0.00000   39.2674   0.00289
  2  1    2.01000   0.00000   300.000   0.00000   37.9079   0.00181
  3  1    3.35000   0.03000   300.000   0.00000   36.2140   0.00295
  4  1    5.11000   0.03000   300.000   0.00000   34.5458   0.00277
  5  1    7.26000   0.04000   300.000   0.00000   32.9524   0.00259
  6  1    7.55000   0.00000   300.000   0.00000   32.7455   0.00265
  7  1    9.36000   0.00000   300.000   0.00000   31.6484   0.00235
  8  1    11.0200   0.02000   300.000   0.00000   30.7945   0.00157
  9  1    13.0600   0.03000   300.000   0.00000   29.9052   0.00211
 10  1    14.8600   0.15000   300.000   0.00000   29.2401   0.00307
 11  1    16.7500   0.02000   300.000   0.00000   28.6555   0.00253
 12  1    17.6800   0.03000   300.000   0.00000   28.3079   0.00277
 13  1    19.4100   0.00000   300.000   0.00000   27.7659   0.00211
 14  1    21.3900   0.03000   300.000   0.00000   27.2654   0.00307
 15  1    23.0000   0.00000   300.000   0.00000   26.9616   0.00295
 16  1    25.0200   0.03000   300.000   0.00000   26.3939   0.00205
 17  1    26.4700   0.00000   300.000   0.00000   26.0785   0.00211
 18  1    2.43000   0.07000   500.000   30.0000   38.1539   0.00361
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542
<------------------------Observed Values-------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)
              GPA                                  CM^3/MOL
 51  1    6.32000   0.07000   700.000   30.0000   34.0408   0.00482
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542
 57  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482
 60  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482
 68  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542
 75  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482
 99  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482
<------------------------Observed Values-------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)
              GPA                                  CM^3/MOL
101  1    14.7500   0.07000   1300.00   30.0000   30.0722   0.00482
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361
115  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361

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

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>pr

     Available equations of state are:
     1=Murnaghan, 2=Birch-Murnaghan, 3=Vinet, 4=Natural Strain, 5=Tait, 6=APL, 7=Kumar,

     Input choice (0 for none, space for no change):2

INPUT ORDER OF EOS (2,3,4):3


INPUT EOS PARAMETERS, <CR> FOR NO CHANGE:
          VALUE OF V0    (     1.000):41.74
          VALUE OF K0    (    10.000):16.32
          VALUE OF Kp    (     4.000):5.26
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.7400           :Reference pressure volume: units as volume data
      K0:  16.3200           :Bulk modulus: same units as pressure data
      Kp:  5.26000           :dK/dP: dimensionless
     Kpp: -0.4128            :d2K/dP2: inverse pressure units [IMPLIED VALUE]
 
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

INPUT EOS>th

     Available thermal expansion equations are:
       1=Berman 1988,  2=Fei 1995,  3=Modified HP1998,  4=Kroll,  5=Salje low-T,
     Available thermal-pressure EoS are:
       6=HP Thermal Pressure,  7=Mie-Gruneisen-Debye,  8=Einstein Oscillator,

     Input choice (0 for none, space for no change):7

INPUT THERMAL PARAMETERS FOR Mie-Gruneisen-Debye <CR> FOR NO CHANGE:


*****WARNING: EoS must have a Pscale in kbar or GPa and a Vscale in cm3/mol set to get correct results.

    Reference temperature ( 298.0K):300

     Do you want to use q-compromise version (Y/N) <N>?n

    Reference pressure volume: units as volume data:
                    VALUE OF V0    (    41.740):41.74
    Debye temperature in K:
                    VALUE OF ThMGD (   298.000):144.96
    Number of atoms per formula unit:
                    VALUE OF Natom (     1.000):2

*****INFORMATION*****

    Gamma0 and q are  refineable parameters in the thermal-pressure model

    Gruneisen parameter at Tref,Pref:
                    VALUE OF Gamm0 (     1.000):2.17
    Gruneisen power law in V/V0:
                    VALUE OF q     (     0.000):1.49

*****The results of the thermal pressure model depend on the EoS parameters

*****WARNING: EoS must have a Pscale in kbar or GPa and a Vscale in cm3/mol set to get correct results.

 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.7400           :Reference pressure volume: units as volume data
      K0:  16.3200           :Bulk modulus: same units as pressure data
      Kp:  5.26000           :dK/dP: dimensionless
     Kpp: -0.4128            :d2K/dP2: inverse pressure units [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  144.960           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.17000           :Gruneisen parameter at Tref,Pref
       q:  1.49000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

INPUT EOS>pscale

     This command allows you to label the output parameters with the pressure scale name (e.g. 'GPa')
     It does not change the parameter values or the P values in the dataset!

     No pressure scale name has been set

     Input name of pressure scale, blank for no change, or 'none':GPa

     The pressure scale name is: GPa

 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Pscale: GPa
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.7400           :Reference pressure volume: units as volume data
      K0:  16.3200           :Bulk modulus: units are GPa
      Kp:  5.26000           :dK/dP: dimensionless
     Kpp: -0.4128            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  144.960           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.17000           :Gruneisen parameter at Tref,Pref
       q:  1.49000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

INPUT EOS>vscale

     This command allows you to label the output parameters with the volume scale name (e.g. 'cm3/mol')
     For linear data and Eos, use this for the name of the linear units (e.g. 'A')
     It does not change the parameter values or the values of the data!

     No volume/linear scale name has been set

     Input name of volume scale, blank for no change, or 'none':cm^3/mol

     The volume scale name is: cm^3/mol

 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.7400           :Reference pressure volume: units are cm^3/mol
      K0:  16.3200           :Bulk modulus: units are GPa
      Kp:  5.26000           :dK/dP: dimensionless
     Kpp: -0.4128            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  144.960           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.17000           :Gruneisen parameter at Tref,Pref
       q:  1.49000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

INPUT EOS>x

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


EOSFIT-7.6>save /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_dac/weighted_precise_theta/initial.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.7400           :Reference pressure volume: units are cm^3/mol
      K0:  16.3200           :Bulk modulus: units are GPa
      Kp:  5.26000           :dK/dP: dimensionless
     Kpp: -0.4128            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  144.960           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.17000           :Gruneisen parameter at Tref,Pref
       q:  1.49000           :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/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_dac/weighted_precise_theta/initial.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_dac/weighted_precise_theta/initial.eos


EOSFIT-7.6>list

           The title on the data file is:  Farla2025 rbbr printed observations
           The calculated values are from:

  THE 123 LOADED DATA ARE AS FOLLOWS:
<-------------------------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               GPa                       cm^3/mol
  1  1    1.19000   0.00000   300.000   0.00000   39.2674   0.00289   1.17032   0.01968       INF   39.2328   0.03464   11.9840
  2  1    2.01000   0.00000   300.000   0.00000   37.9079   0.00181   2.02519   -0.0152       INF   37.9298   -0.0219   12.1115
  3  1    3.35000   0.03000   300.000   0.00000   36.2140   0.00295   3.36918   -0.0192   0.63938   36.2353   -0.0213   7.22903
  4  1    5.11000   0.03000   300.000   0.00000   34.5458   0.00277   5.08292   0.02708   0.90275   34.5226   0.02318   8.36836
  5  1    7.26000   0.04000   300.000   0.00000   32.9524   0.00259   7.19589   0.06411   1.60285   32.9099   0.04256   16.4372
  6  1    7.55000   0.00000   300.000   0.00000   32.7455   0.00265   7.51170   0.03830       INF   32.7209   0.02463   9.29581
  7  1    9.36000   0.00000   300.000   0.00000   31.6484   0.00235   9.37455   -0.0146       INF   31.6563   -0.0079   3.34589
  8  1    11.0200   0.02000   300.000   0.00000   30.7945   0.00157   11.0745   -0.0545   2.72446   30.8200   -0.0256   16.3356
  9  1    13.0600   0.03000   300.000   0.00000   29.9052   0.00211   13.1212   -0.0612   2.04137   29.9300   -0.0248   11.7468
 10  1    14.8600   0.15000   300.000   0.00000   29.2401   0.00307   14.8666   -0.0066   0.04410   29.2425   -0.0024   0.77504
 11  1    16.7500   0.02000   300.000   0.00000   28.6555   0.00253   16.5743   0.17565   8.78258   28.5985   0.05691   22.4986
 12  1    17.6800   0.03000   300.000   0.00000   28.3079   0.00277   17.6751   0.00492   0.16384   28.3063   0.00151   0.54394
 13  1    19.4100   0.00000   300.000   0.00000   27.7659   0.00211   19.5315   -0.1215       INF   27.7998   -0.0339   16.0913
 14  1    21.3900   0.03000   300.000   0.00000   27.2654   0.00307   21.4121   -0.0221   0.73713   27.2710   -0.0056   1.83327
 15  1    23.0000   0.00000   300.000   0.00000   26.9616   0.00295   22.6388   0.36115       INF   26.8753   0.08634   29.2587
 16  1    25.0200   0.03000   300.000   0.00000   26.3939   0.00205   25.1215   -0.1015   3.38472   26.4160   -0.0221   10.7928
 17  1    26.4700   0.00000   300.000   0.00000   26.0785   0.00211   26.6173   -0.1473       INF   26.1087   -0.0303   14.3530
 18  1    2.43000   0.07000   500.000   30.0000   38.1539   0.00361   2.34861   0.08139   1.16275   38.0323   0.12157   33.6444
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.57371   0.08628   1.23264   38.0569   0.13008   30.8578
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.77492   0.05508   0.78680   38.1734   0.08466   20.0820
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.93957   0.03043   0.43476   38.3406   0.04811   9.98548
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.92965   0.03035   0.43354   38.7630   0.05151   9.50309
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.94599   0.00401   0.05726   39.2203   0.00732   1.35065
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.90853   0.01147   0.16381   39.7587   0.02295   3.17567
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.88776   0.00224   0.03197   40.3548   0.00495   0.63198
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.07141   -0.0414   0.59158   35.0101   -0.0383   5.78220
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.32974   -0.0497   0.71062   34.9974   -0.0461   8.49802
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.47902   -0.0790   1.12886   35.1071   -0.0745   15.4624
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.57482   -0.0948   1.35461   35.2586   -0.0917   21.7589
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.61076   -0.0708   1.01087   35.4352   -0.0707   16.7791
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.58396   -0.0240   0.34225   35.6598   -0.0250   5.18554
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.52010   0.01990   0.28424   35.9382   0.02184   4.53389
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.46385   0.02615   0.37351   36.2663   0.03038   5.60458
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.39752   0.04248   0.60680   36.6152   0.05243   8.70671
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.31585   0.12415   1.77360   36.9225   0.16304   22.5607
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.40807   -0.0681   0.97246   32.5070   -0.0423   5.84934
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.34830   -0.0483   0.68998   32.6763   -0.0309   4.27892
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.32246   -0.0225   0.32082   32.8252   -0.0148   2.45460
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.26043   0.02957   0.42237   32.9855   0.02008   3.70425
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.20992   0.04008   0.57255   33.1719   0.02814   5.84037
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.16300   0.00700   0.09996   33.3943   0.00509   0.93891
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.94713   0.15287   2.18381   33.6187   0.11676   19.3879
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.77725   0.20275   2.89648   33.8923   0.16289   20.8067
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.63335   0.13665   1.95209   34.2557   0.11631   27.5902
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.37243   0.15757   2.25106   34.6711   0.14414   23.9347
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.12459   0.16541   2.36300   35.1191   0.16340   12.9208
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.89283   0.05717   0.81678   35.7121   0.06184   6.84628
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.63877   0.07123   1.01756   36.2537   0.08454   10.0270
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.12068   -0.1907   2.72405   34.2254   -0.1545   32.0674
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.37025   -0.1903   2.71787   34.2119   -0.1542   28.4593
<-------------------------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               GPa                       cm^3/mol
 51  1    6.32000   0.07000   700.000   30.0000   34.0408   0.00482   6.62475   -0.3047   4.35354   34.2897   -0.2490   51.6789
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.87726   -0.3473   4.96081   34.3103   -0.2846   78.7700
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.10441   -0.3444   4.92014   34.3144   -0.2833   58.8059
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.38191   -0.3519   5.02723   34.2850   -0.2888   68.5053
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.67761   -0.2976   4.25152   34.1889   -0.2421   44.6635
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.95914   -0.2491   3.55913   34.1102   -0.2013   37.1424
 57  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.25066   -0.2107   3.00940   34.0321   -0.1690   35.0770
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.18233   0.16766   2.39521   33.9707   0.13689   25.2562
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33453   0.39547   5.64951   33.8538   0.32248   66.9354
 60  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.45557   0.25443   3.63466   34.0594   0.21323   35.4083
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.64733   0.06267   0.89535   34.2562   0.05370   8.10637
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.77815   -0.1582   2.25930   34.5410   -0.1401   29.0831
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.19134   -0.1513   2.16199   33.3750   -0.1075   22.3131
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.42751   -0.1075   1.53583   33.3396   -0.0763   15.8401
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.67781   -0.1578   2.25449   33.3618   -0.1124   20.7355
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.92500   -0.1450   2.07143   33.3412   -0.1032   21.4310
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.15786   -0.1279   1.82656   33.3280   -0.0912   18.9226
 68  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.44454   -0.1845   2.63635   33.3291   -0.1315   27.2936
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.77353   -0.1835   2.62180   33.2586   -0.1296   26.9048
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.11367   -0.1637   2.33811   33.1674   -0.1143   23.7273
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.44150   -0.1215   1.73573   33.0702   -0.0839   17.4213
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.74968   -0.0897   1.28114   32.9947   -0.0614   12.7544
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0466   -0.0266   0.38068   32.9062   -0.0181   3.33966
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3109   -0.0109   0.15542   32.8726   -0.0074   1.36050
 75  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5555   -0.0855   1.22213   32.9139   -0.0583   9.67588
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8393   -0.2293   3.27617   32.9764   -0.1569   13.7134
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.6763   -0.1463   2.09020   30.3342   -0.0633   6.57437
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1350   -0.2150   3.07089   30.3559   -0.0935   10.3471
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5411   -0.3711   5.30086   30.4407   -0.1632   27.1042
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8356   -0.2256   3.22245   30.4421   -0.1001   18.4713
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4767   -0.0067   0.09529   30.7100   -0.0031   0.57679
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1413   -0.0013   0.01837   30.9761  -0.00064   0.11754
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8373   0.13272   1.89599   31.1736   0.06807   10.2756
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3826   0.23742   3.39172   31.4746   0.12898   26.7730
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1398   0.10025   1.43209   31.8100   0.05739   9.52923
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.88308   0.00692   0.09880   31.6101   0.00372   0.88230
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.2566   -0.0066   0.09478   31.6584   -0.0036   0.85741
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.6012   0.00881   0.12591   31.7083   0.00487   1.34766
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   10.9688   -0.0088   0.12539   31.7651   -0.0049   1.16373
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4119   -0.0619   0.88453   31.8004   -0.0348   8.26330
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6406   -0.0506   0.72244   31.7929   -0.0285   5.91282
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8447   -0.0647   0.92419   31.8136   -0.0366   8.68589
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.8607   0.08927   1.27534   30.1542   0.03782   6.97740
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.0981   0.02193   0.31331   30.1749   0.00931   1.71804
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.3616   -0.0316   0.45097   30.1789   -0.0134   2.22688
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.5999   -0.0399   0.57022   30.1746   -0.0170   3.13098
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8088   -0.0388   0.55377   30.1790   -0.0165   3.04722
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0716   -0.0916   1.30866   30.1835   -0.0391   8.10612
 99  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3119   -0.0819   1.17008   30.1709   -0.0349   7.24543
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.5977   -0.1277   1.82439   30.1626   -0.0543   11.2785
<-------------------------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               GPa                       cm^3/mol
101  1    14.7500   0.07000   1300.00   30.0000   30.0722   0.00482   14.9037   -0.1537   2.19534   30.1373   -0.0651   13.5221
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1441   -0.1341   1.91593   30.1206   -0.0568   11.7936
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.3048   -0.0848   1.21170   30.1251   -0.0361   7.48970
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3634   -0.0034   0.04789   30.1597   -0.0014   0.26605
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2827   0.03729   0.53278   30.2732   0.01640   3.02541
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0796   0.09044   1.29202   30.4388   0.04106   6.81809
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.7084   -0.3184   4.54900   27.8182   -0.0893   14.8226
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.3338   -0.1838   2.62511   27.7090   -0.0505   8.39030
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.4574   -0.2174   3.10593   27.7421   -0.0601   9.98785
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.5650   -0.1950   2.78568   27.7645   -0.0543   9.00886
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.6371   -0.1971   2.81571   27.8041   -0.0553   9.17957
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5870   -0.0670   0.95727   27.8413   -0.0190   4.50696
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.5621   -0.1021   1.45852   27.9191   -0.0294   8.12552
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.4188   -0.1688   2.41187   28.0423   -0.0496   13.7252
115  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.1642   -0.1342   1.91648   28.1716   -0.0404   11.1824
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.8031   -0.0631   0.90128   28.3261   -0.0196   6.50422
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.3018   0.06820   0.97422   28.5109   0.02199   7.30236
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.7375   0.27247   3.89238   28.6992   0.09148   30.3813
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1928   0.35719   5.10270   28.9290   0.12539   34.7038
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.6102   0.44983   6.42608   29.1801   0.16582   30.5937
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0693   0.38066   5.43807   29.4893   0.14807   30.7352
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.6973   0.11266   1.60945   29.4170   0.04211   13.9846
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0858   0.14425   2.06067   29.5383   0.05574   15.4265

EOSFIT-7.6>fit
     123 data for V will be used in least-squares
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 10:33
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.7400           :Reference pressure volume: units are cm^3/mol
      K0:  16.3200           :Bulk modulus: units are GPa
      Kp:  5.26000           :dK/dP: dimensionless
     Kpp: -0.4128            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  144.960           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.17000           :Gruneisen parameter at Tref,Pref
       q:  1.49000           :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)?y

 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),

*****WARNING:     P    T  has some esds=0: This may make weights and LS results invalid





   RESULTS FROM CYCLE  1
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        41.74000  [NOT REFINED]
 K0      0        16.32000  [NOT REFINED]
 Kp      0         5.26000  [NOT REFINED]
 Kpp     0        -0.41278  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       144.96001  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.17458          0.00458          0.13909           0.03
 q       1         1.50153          0.01153          0.24223           0.05
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  17.45 (AND ESD'S RESCALED BY W-CHI^2)


   RESULTS FROM CYCLE  2
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        41.74000  [NOT REFINED]
 K0      0        16.32000  [NOT REFINED]
 Kp      0         5.26000  [NOT REFINED]
 Kpp     0        -0.41278  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       144.96001  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.17459          0.00001          0.13940           0.00
 q       1         1.50155          0.00002          0.24232           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  17.46 (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        41.74000  [NOT REFINED]
 K0      0        16.32000  [NOT REFINED]
 Kp      0         5.26000  [NOT REFINED]
 Kpp     0        -0.41278  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       144.96001  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.17459          0.00001          0.13940           0.00
 q       1         1.50155          0.00002          0.24232           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  17.46 (AND ESD'S RESCALED BY W-CHI^2)

 INPUT <CR> TO CONTINUE

  THE 123 LOADED DATA ARE AS FOLLOWS:
<-------------------------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               GPa                       cm^3/mol
  1  1    1.19000   0.00000   300.000   0.00000   39.2674   0.00289   1.17032   0.01968       INF   39.2328   0.03464   11.9840   372794.53
  2  1    2.01000   0.00000   300.000   0.00000   37.9079   0.00181   2.02519   -0.0152       INF   37.9298   -0.0219   12.1115   634151.75
  3  1    3.35000   0.03000   300.000   0.00000   36.2140   0.00295   3.36918   -0.0192   0.63938   36.2353   -0.0213   7.22903   1102.4578
  4  1    5.11000   0.03000   300.000   0.00000   34.5458   0.00277   5.08292   0.02708   0.90275   34.5226   0.02318   8.36836   1098.3519
  5  1    7.26000   0.04000   300.000   0.00000   32.9524   0.00259   7.19589   0.06411   1.60285   32.9099   0.04256   16.4372   619.13861
  6  1    7.55000   0.00000   300.000   0.00000   32.7455   0.00265   7.51170   0.03830       INF   32.7209   0.02463   9.29581   59175.855
  7  1    9.36000   0.00000   300.000   0.00000   31.6484   0.00235   9.37455   -0.0146       INF   31.6563   -0.0079   3.34589   52807.902
  8  1    11.0200   0.02000   300.000   0.00000   30.7945   0.00157   11.0745   -0.0545   2.72446   30.8200   -0.0256   16.3356   2431.6877
  9  1    13.0600   0.03000   300.000   0.00000   29.9052   0.00211   13.1212   -0.0612   2.04137   29.9300   -0.0248   11.7468   1078.4432
 10  1    14.8600   0.15000   300.000   0.00000   29.2401   0.00307   14.8666   -0.0066   0.04410   29.2425   -0.0024   0.77504   44.301670
 11  1    16.7500   0.02000   300.000   0.00000   28.6555   0.00253   16.5743   0.17565   8.78258   28.5985   0.05691   22.4986   2172.5322
 12  1    17.6800   0.03000   300.000   0.00000   28.3079   0.00277   17.6751   0.00492   0.16384   28.3063   0.00151   0.54394   1018.7463
 13  1    19.4100   0.00000   300.000   0.00000   27.7659   0.00211   19.5315   -0.1215       INF   27.7998   -0.0339   16.0913   17484.510
 14  1    21.3900   0.03000   300.000   0.00000   27.2654   0.00307   21.4121   -0.0221   0.73713   27.2710   -0.0056   1.83327   956.48621
 15  1    23.0000   0.00000   300.000   0.00000   26.9616   0.00295   22.6388   0.36115       INF   26.8753   0.08634   29.2587   6673.2964
 16  1    25.0200   0.03000   300.000   0.00000   26.3939   0.00205   25.1215   -0.1015   3.38472   26.4160   -0.0221   10.7928   1011.3477
 17  1    26.4700   0.00000   300.000   0.00000   26.0785   0.00211   26.6173   -0.1473       INF   26.1087   -0.0303   14.3530   9458.0410
 18  1    2.43000   0.07000   500.000   30.0000   38.1539   0.00361   2.34913   0.08087   1.15522   38.0331   0.12082   33.4364   96.175797
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.57451   0.08549   1.22122   38.0581   0.12893   30.5855   95.939919
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.77601   0.05399   0.77123   38.1750   0.08303   19.6965   95.740120
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.94098   0.02902   0.41453   38.3428   0.04591   9.52860   95.478104
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.93155   0.02845   0.40638   38.7662   0.04832   8.91539   94.855309
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.94844   0.00156   0.02230   39.2248   0.00286   0.52717   94.291084
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.91168   0.00832   0.11885   39.7650   0.01669   2.30891   93.513695
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.89171   -0.0017   0.02446   40.3636   -0.0038   0.48385   92.765198
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.07144   -0.0414   0.59199   35.0101   -0.0383   5.78854   100.36944
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.32978   -0.0498   0.71118   34.9974   -0.0461   8.50576   100.33622
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.47910   -0.0791   1.12997   35.1072   -0.0746   15.4822   100.15286
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.57497   -0.0950   1.35678   35.2588   -0.0919   21.8023   99.931595
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.61104   -0.0710   1.01481   35.4355   -0.0710   16.8533   99.590897
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.58443   -0.0244   0.34900   35.6603   -0.0255   5.29006   99.118263
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.52085   0.01915   0.27360   35.9390   0.02105   4.36919   98.638969
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.46493   0.02507   0.35811   36.2675   0.02915   5.37795   98.113838
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.39901   0.04099   0.58552   36.6170   0.05066   8.41152   97.555634
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.31785   0.12215   1.74501   36.9249   0.16063   22.2271   96.906105
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.40771   -0.0677   0.96731   32.5068   -0.0420   5.81872   103.42846
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.34780   -0.0478   0.68286   32.6760   -0.0306   4.23564   102.94183
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.32184   -0.0218   0.31204   32.8248   -0.0144   2.38746   102.96930
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.25974   0.03026   0.43226   32.9850   0.02055   3.79152   102.76716
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.20918   0.04082   0.58310   33.1714   0.02866   5.94964   102.55845
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.16225   0.00775   0.11071   33.3937   0.00565   1.04167   102.11102
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.94648   0.15352   2.19310   33.6181   0.11730   19.4784   101.49721
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.77674   0.20326   2.90370   33.8918   0.16339   20.8706   100.66812
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.63304   0.13696   1.95655   34.2553   0.11665   27.6707   100.86578
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.37247   0.15754   2.25050   34.6710   0.14422   23.9487   100.00999
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.12507   0.16493   2.35608   35.1194   0.16309   12.8957   98.177574
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.89385   0.05615   0.80212   35.7131   0.06081   6.73183   98.342682
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.64050   0.06950   0.99288   36.2556   0.08261   9.79804   97.722946
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.12057   -0.1906   2.72245   34.2253   -0.1544   32.0515   101.91928
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.37008   -0.1901   2.71544   34.2117   -0.1541   28.4382   101.58490
<-------------------------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               GPa                       cm^3/mol
 51  1    6.32000   0.07000   700.000   30.0000   34.0408   0.00482   6.62452   -0.3045   4.35023   34.2896   -0.2488   51.6519   101.55389
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.87696   -0.3470   4.95661   34.3102   -0.2845   78.7278   101.63715
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.10406   -0.3441   4.91515   34.3142   -0.2831   58.7671   101.39780
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.38148   -0.3515   5.02114   34.2847   -0.2886   68.4519   101.48502
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.67709   -0.2971   4.24412   34.1886   -0.2418   44.6065   101.33089
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.95853   -0.2485   3.55044   34.1098   -0.2009   37.0734   101.35490
 57  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.24995   -0.2099   2.99924   34.0316   -0.1685   34.9796   101.49708
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.18176   0.16824   2.40338   33.9702   0.13744   25.3589   101.05096
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33397   0.39602   5.65750   33.8531   0.32316   67.0771   101.03512
 60  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.45507   0.25493   3.64188   34.0588   0.21383   35.5065   100.71208
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.64682   0.06318   0.90254   34.2558   0.05418   8.17836   100.54990
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.77772   -0.1577   2.25312   34.5408   -0.1399   29.0340   100.69944
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.19110   -0.1511   2.15861   33.3749   -0.1073   22.2807   103.08772
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.42715   -0.1072   1.53075   33.3394   -0.0761   15.7902   102.81994
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.67734   -0.1573   2.24766   33.3615   -0.1121   20.6771   102.54333
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.92440   -0.1444   2.06284   33.3408   -0.1028   21.3471   102.58024
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.15714   -0.1271   1.81625   33.3275   -0.0907   18.8220   102.50969
 68  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.44368   -0.1837   2.62401   33.3286   -0.1309   27.1748   102.51060
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.77250   -0.1825   2.60710   33.2579   -0.1289   26.7639   102.56879
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.11246   -0.1625   2.32081   33.1666   -0.1135   23.5618   102.64167
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.44010   -0.1201   1.71576   33.0693   -0.0830   17.2281   102.71175
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.74810   -0.0881   1.25852   32.9937   -0.0604   12.5359   102.76899
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0449   -0.0249   0.35541   32.9050   -0.0169   3.11866   102.67509
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3089   -0.0089   0.12771   32.8713   -0.0061   1.11768   102.69668
 75  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5534   -0.0834   1.19213   32.9125   -0.0569   9.44467   102.54292
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8370   -0.2270   3.24343   32.9749   -0.1554   13.5854   100.45632
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.6756   -0.1456   2.08025   30.3339   -0.0630   6.54310   103.09456
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1336   -0.2136   3.05087   30.3553   -0.0929   10.2808   103.24435
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5390   -0.3690   5.27086   30.4398   -0.1623   26.9550   105.66151
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8328   -0.2228   3.18296   30.4409   -0.0989   18.2482   105.89178
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4735   -0.0035   0.04993   30.7085   -0.0016   0.30265   105.42827
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1380   0.00198   0.02827   30.9745   0.00097   0.17912   105.10579
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8340   0.13603   1.94332   31.1719   0.06979   10.5356   104.18233
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3794   0.24064   3.43776   31.4728   0.13079   27.1475   104.54346
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1366   0.10343   1.47757   31.8081   0.05923   9.83551   103.75588
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.88259   0.00741   0.10583   31.6098   0.00398   0.94474   105.65914
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.2557   -0.0057   0.08089   31.6579   -0.0031   0.73208   105.09235
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.5998   0.01025   0.14639   31.7075   0.00566   1.56567   104.96638
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   10.9669   -0.0069   0.09849   31.7640   -0.0039   0.91397   104.62788
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4096   -0.0596   0.85094   31.7991   -0.0335   7.95110   104.56054
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6380   -0.0480   0.68546   31.7914   -0.0270   5.61312   104.35712
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8419   -0.0619   0.88403   31.8121   -0.0350   8.31171   104.51033
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.8600   0.08998   1.28546   30.1539   0.03811   7.03230   106.94714
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.0970   0.02300   0.32855   30.1744   0.00977   1.80250   106.61041
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.3601   -0.0301   0.43052   30.1783   -0.0128   2.12648   105.98782
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.5981   -0.0381   0.54459   30.1739   -0.0162   2.99127   106.29082
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8066   -0.0366   0.52301   30.1781   -0.0156   2.87831   106.19283
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0691   -0.0891   1.27260   30.1824   -0.0380   7.88283   106.53509
 99  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3090   -0.0790   1.12876   30.1697   -0.0337   6.98967   106.49720
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.5944   -0.1244   1.77761   30.1613   -0.0530   10.9923   106.48824
<-------------------------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               GPa                       cm^3/mol
101  1    14.7500   0.07000   1300.00   30.0000   30.0722   0.00482   14.9000   -0.1500   2.14295   30.1358   -0.0636   13.2026   106.50565
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1401   -0.1301   1.85815   30.1188   -0.0551   11.4404   106.49281
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.3004   -0.0804   1.14897   30.1232   -0.0342   7.10369   106.45133
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3587   0.00134   0.01907   30.1577   0.00057   0.10593   105.98322
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2778   0.04220   0.60286   30.2710   0.01856   3.42518   105.83507
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0745   0.09548   1.36396   30.4365   0.04336   7.20037   105.25727
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.7057   -0.3157   4.51014   27.8175   -0.0885   14.6962   106.90921
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.3327   -0.1827   2.60955   27.7087   -0.0502   8.34057   107.68211
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.4558   -0.2158   3.08258   27.7417   -0.0597   9.91342   107.29397
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.5628   -0.1928   2.75457   27.7639   -0.0536   8.90782   107.06306
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.6344   -0.1944   2.77696   27.8033   -0.0545   9.05352   106.92052
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5838   -0.0638   0.91114   27.8404   -0.0181   4.29114   109.51733
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.5584   -0.0984   1.40517   27.9180   -0.0283   7.82886   110.07761
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.4146   -0.1646   2.35171   28.0411   -0.0484   13.3836   109.90387
115  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.1595   -0.1295   1.85007   28.1702   -0.0390   10.7950   109.70326
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.7981   -0.0581   0.82937   28.3245   -0.0180   5.98606   109.96266
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.2965   0.07354   1.05062   28.5092   0.02372   7.87626   109.62415
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.7319   0.27806   3.97235   28.6973   0.09337   31.0084   109.24364
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1870   0.36299   5.18559   28.9270   0.12745   35.2739   108.47897
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.6042   0.45576   6.51084   29.1779   0.16804   31.0036   106.73794
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0633   0.38668   5.52406   29.4869   0.15045   31.2289   106.92706
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.6965   0.11348   1.62115   29.4167   0.04242   14.0866   109.39394
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0817   0.14828   2.11836   29.5367   0.05731   15.8609   107.81637

  FITTING STATISTICS FOR 2 PARAMETERS FITTED TO 123 DATA:
      CHI^2 (WEIGHTED)=  17.4551
      MAXIMUM DELTA-PRESSURE= 0.456


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      Gamm0     q
    Gamm0:     100.0      95.0
    q    :      95.0     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     Gamm0     q
    Gamm0:   0.01943   0.03208
    q    :   0.03208   0.05872

*****WARNING:     P    T  has some esds=0: This may make weights and LS results invalid


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

EOSFIT-7.6>fit
     123 data for V will be used in least-squares
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 10:33
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.7400           :Reference pressure volume: units are cm^3/mol
      K0:  16.3200           :Bulk modulus: units are GPa
      Kp:  5.26000           :dK/dP: dimensionless
     Kpp: -0.4128            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  144.960           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.17(14)          :Gruneisen parameter at Tref,Pref
       q:  1.5(2)            :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)?y

 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),

*****WARNING:     P    T  has some esds=0: This may make weights and LS results invalid





   RESULTS FROM CYCLE  1
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        41.74000  [NOT REFINED]
 K0      0        16.32000  [NOT REFINED]
 Kp      0         5.26000  [NOT REFINED]
 Kpp     0        -0.41278  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       144.96001  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.17458         -0.00001          0.13940          -0.00
 q       1         1.50154         -0.00001          0.24233          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  17.46 (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        41.74000  [NOT REFINED]
 K0      0        16.32000  [NOT REFINED]
 Kp      0         5.26000  [NOT REFINED]
 Kpp     0        -0.41278  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       144.96001  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.17458         -0.00001          0.13940          -0.00
 q       1         1.50154         -0.00001          0.24233          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  17.46 (AND ESD'S RESCALED BY W-CHI^2)

 INPUT <CR> TO CONTINUE

  THE 123 LOADED DATA ARE AS FOLLOWS:
<-------------------------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               GPa                       cm^3/mol
  1  1    1.19000   0.00000   300.000   0.00000   39.2674   0.00289   1.17032   0.01968       INF   39.2328   0.03464   11.9840   372794.53
  2  1    2.01000   0.00000   300.000   0.00000   37.9079   0.00181   2.02519   -0.0152       INF   37.9298   -0.0219   12.1115   634151.75
  3  1    3.35000   0.03000   300.000   0.00000   36.2140   0.00295   3.36918   -0.0192   0.63938   36.2353   -0.0213   7.22903   1102.4578
  4  1    5.11000   0.03000   300.000   0.00000   34.5458   0.00277   5.08292   0.02708   0.90275   34.5226   0.02318   8.36836   1098.3519
  5  1    7.26000   0.04000   300.000   0.00000   32.9524   0.00259   7.19589   0.06411   1.60285   32.9099   0.04256   16.4372   619.13861
  6  1    7.55000   0.00000   300.000   0.00000   32.7455   0.00265   7.51170   0.03830       INF   32.7209   0.02463   9.29581   59175.855
  7  1    9.36000   0.00000   300.000   0.00000   31.6484   0.00235   9.37455   -0.0146       INF   31.6563   -0.0079   3.34589   52807.902
  8  1    11.0200   0.02000   300.000   0.00000   30.7945   0.00157   11.0745   -0.0545   2.72446   30.8200   -0.0256   16.3356   2431.6877
  9  1    13.0600   0.03000   300.000   0.00000   29.9052   0.00211   13.1212   -0.0612   2.04137   29.9300   -0.0248   11.7468   1078.4432
 10  1    14.8600   0.15000   300.000   0.00000   29.2401   0.00307   14.8666   -0.0066   0.04410   29.2425   -0.0024   0.77504   44.301670
 11  1    16.7500   0.02000   300.000   0.00000   28.6555   0.00253   16.5743   0.17565   8.78258   28.5985   0.05691   22.4986   2172.5322
 12  1    17.6800   0.03000   300.000   0.00000   28.3079   0.00277   17.6751   0.00492   0.16384   28.3063   0.00151   0.54394   1018.7463
 13  1    19.4100   0.00000   300.000   0.00000   27.7659   0.00211   19.5315   -0.1215       INF   27.7998   -0.0339   16.0913   17484.510
 14  1    21.3900   0.03000   300.000   0.00000   27.2654   0.00307   21.4121   -0.0221   0.73713   27.2710   -0.0056   1.83327   956.48621
 15  1    23.0000   0.00000   300.000   0.00000   26.9616   0.00295   22.6388   0.36115       INF   26.8753   0.08634   29.2587   6673.2964
 16  1    25.0200   0.03000   300.000   0.00000   26.3939   0.00205   25.1215   -0.1015   3.38472   26.4160   -0.0221   10.7928   1011.3477
 17  1    26.4700   0.00000   300.000   0.00000   26.0785   0.00211   26.6173   -0.1473       INF   26.1087   -0.0303   14.3530   9458.0410
 18  1    2.43000   0.07000   500.000   30.0000   38.1539   0.00361   2.34913   0.08087   1.15524   38.0331   0.12082   33.4375   96.175468
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.57451   0.08549   1.22124   38.0581   0.12894   30.5864   95.939270
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.77601   0.05399   0.77126   38.1750   0.08303   19.6965   95.739159
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.94098   0.02902   0.41458   38.3428   0.04591   9.53019   95.478104
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.93155   0.02845   0.40644   38.7662   0.04833   8.91750   94.854652
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.94843   0.00157   0.02237   39.2248   0.00286   0.52717   94.291069
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.91167   0.00833   0.11894   39.7650   0.01669   2.30996   93.513046
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.89170   -0.0017   0.02435   40.3636   -0.0038   0.48142   92.763939
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.07144   -0.0414   0.59198   35.0101   -0.0383   5.78739   100.36944
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.32978   -0.0498   0.71117   34.9974   -0.0461   8.50576   100.33622
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.47910   -0.0791   1.12996   35.1072   -0.0746   15.4822   100.15219
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.57497   -0.0950   1.35676   35.2588   -0.0919   21.8014   99.930916
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.61103   -0.0710   1.01478   35.4355   -0.0710   16.8524   99.590256
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.58443   -0.0244   0.34896   35.6603   -0.0255   5.29085   99.117645
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.52084   0.01916   0.27364   35.9390   0.02105   4.36919   98.638969
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.46493   0.02507   0.35817   36.2675   0.02916   5.38006   98.112503
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.39901   0.04099   0.58559   36.6170   0.05066   8.41215   97.554359
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.31784   0.12216   1.74509   36.9249   0.16063   22.2281   96.906006
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.40771   -0.0677   0.96731   32.5068   -0.0420   5.81820   103.42846
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.34780   -0.0478   0.68286   32.6760   -0.0306   4.23564   102.94207
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.32184   -0.0218   0.31204   32.8248   -0.0144   2.38746   102.96930
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.25974   0.03026   0.43226   32.9850   0.02055   3.79152   102.76578
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.20918   0.04082   0.58312   33.1714   0.02866   5.94964   102.55970
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.16225   0.00775   0.11072   33.3937   0.00565   1.04167   102.10950
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.94648   0.15352   2.19311   33.6181   0.11731   19.4791   101.49721
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.77674   0.20326   2.90373   33.8918   0.16339   20.8706   100.66881
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.63304   0.13696   1.95659   34.2553   0.11665   27.6707   100.86574
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.37246   0.15754   2.25054   34.6710   0.14422   23.9487   100.00863
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.12507   0.16493   2.35613   35.1194   0.16309   12.8957   98.176254
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.89385   0.05615   0.80218   35.7131   0.06081   6.73183   98.342178
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.64049   0.06951   0.99297   36.2556   0.08261   9.79895   97.724281
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.12057   -0.1906   2.72245   34.2253   -0.1544   32.0515   101.91866
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.37008   -0.1901   2.71543   34.2118   -0.1541   28.4389   101.58490
<-------------------------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               GPa                       cm^3/mol
 51  1    6.32000   0.07000   700.000   30.0000   34.0408   0.00482   6.62452   -0.3045   4.35022   34.2896   -0.2488   51.6519   101.55383
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.87696   -0.3470   4.95659   34.3102   -0.2845   78.7278   101.63650
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.10406   -0.3441   4.91514   34.3142   -0.2831   58.7671   101.39780
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.38148   -0.3515   5.02112   34.2847   -0.2886   68.4519   101.48433
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.67709   -0.2971   4.24410   34.1886   -0.2418   44.6072   101.33089
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.95853   -0.2485   3.55042   34.1098   -0.2009   37.0727   101.35421
 57  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.24994   -0.2099   2.99921   34.0316   -0.1685   34.9796   101.49832
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.18176   0.16824   2.40341   33.9701   0.13745   25.3596   101.04847
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33397   0.39603   5.65752   33.8531   0.32317   67.0787   101.03512
 60  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.45507   0.25493   3.64191   34.0588   0.21383   35.5071   100.71085
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.64682   0.06318   0.90257   34.2558   0.05418   8.17893   100.54868
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.77772   -0.1577   2.25308   34.5408   -0.1399   29.0332   100.69830
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.19110   -0.1511   2.15861   33.3749   -0.1073   22.2814   103.08772
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.42715   -0.1072   1.53075   33.3394   -0.0761   15.7894   102.81925
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.67734   -0.1573   2.24765   33.3615   -0.1121   20.6771   102.54254
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.92440   -0.1444   2.06284   33.3408   -0.1028   21.3479   102.58024
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.15714   -0.1271   1.81623   33.3275   -0.0907   18.8212   102.50983
 68  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.44368   -0.1837   2.62401   33.3286   -0.1309   27.1756   102.50935
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.77250   -0.1825   2.60709   33.2579   -0.1289   26.7639   102.56879
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.11245   -0.1625   2.32079   33.1666   -0.1135   23.5602   102.64307
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.44010   -0.1201   1.71574   33.0693   -0.0830   17.2281   102.71298
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.74810   -0.0881   1.25851   32.9937   -0.0604   12.5351   102.76759
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0449   -0.0249   0.35539   32.9050   -0.0169   3.11866   102.67493
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3089   -0.0089   0.12770   32.8713   -0.0061   1.11698   102.69668
 75  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5534   -0.0834   1.19212   32.9125   -0.0569   9.44467   102.54274
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8370   -0.2270   3.24342   32.9749   -0.1554   13.5854   100.45600
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.6756   -0.1456   2.08025   30.3339   -0.0630   6.54290   103.09456
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1336   -0.2136   3.05089   30.3553   -0.0929   10.2808   103.24300
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5390   -0.3690   5.27088   30.4398   -0.1623   26.9547   105.66151
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8328   -0.2228   3.18300   30.4409   -0.0989   18.2478   105.89063
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4735   -0.0035   0.04995   30.7085   -0.0016   0.30370   105.42827
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1380   0.00198   0.02824   30.9745   0.00097   0.17912   105.10461
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8340   0.13603   1.94329   31.1719   0.06979   10.5353   104.18121
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3794   0.24064   3.43774   31.4728   0.13079   27.1475   104.54327
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1366   0.10343   1.47755   31.8081   0.05923   9.83551   103.75588
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.88259   0.00741   0.10583   31.6098   0.00398   0.94474   105.65931
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.2557   -0.0057   0.08089   31.6579   -0.0031   0.73208   105.09091
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.5998   0.01025   0.14639   31.7075   0.00566   1.56567   104.96638
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   10.9669   -0.0069   0.09849   31.7640   -0.0039   0.91397   104.62803
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4096   -0.0596   0.85095   31.7991   -0.0335   7.95155   104.56069
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6380   -0.0480   0.68547   31.7914   -0.0270   5.61351   104.35728
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8419   -0.0619   0.88403   31.8121   -0.0350   8.31216   104.51033
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.8600   0.08998   1.28544   30.1539   0.03811   7.03230   106.94599
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.0970   0.02300   0.32854   30.1744   0.00977   1.80215   106.60899
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.3601   -0.0301   0.43054   30.1783   -0.0128   2.12648   105.98782
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.5981   -0.0381   0.54460   30.1739   -0.0162   2.99127   106.29082
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8066   -0.0366   0.52302   30.1781   -0.0156   2.87831   106.19256
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0691   -0.0891   1.27261   30.1824   -0.0380   7.88283   106.53485
 99  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3090   -0.0790   1.12878   30.1697   -0.0337   6.99086   106.49602
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.5944   -0.1244   1.77764   30.1613   -0.0530   10.9923   106.48824
<-------------------------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               GPa                       cm^3/mol
101  1    14.7500   0.07000   1300.00   30.0000   30.0722   0.00482   14.9000   -0.1500   2.14297   30.1358   -0.0636   13.2030   106.50423
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1401   -0.1301   1.85819   30.1188   -0.0551   11.4404   106.49422
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.3004   -0.0804   1.14901   30.1233   -0.0342   7.10449   106.45158
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3587   0.00133   0.01903   30.1577   0.00057   0.10522   105.98322
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2778   0.04220   0.60282   30.2710   0.01857   3.42553   105.83595
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0745   0.09548   1.36393   30.4365   0.04336   7.20069   105.25839
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.7057   -0.3157   4.51017   27.8175   -0.0885   14.6969   106.91197
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.3327   -0.1827   2.60958   27.7087   -0.0502   8.34057   107.68032
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.4558   -0.2158   3.08260   27.7417   -0.0597   9.91405   107.29301
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.5628   -0.1928   2.75459   27.7639   -0.0536   8.90814   107.06126
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.6344   -0.1944   2.77699   27.8033   -0.0545   9.05352   106.92326
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5838   -0.0638   0.91119   27.8404   -0.0181   4.29159   109.51800
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.5584   -0.0984   1.40520   27.9180   -0.0283   7.82833   110.07761
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.4146   -0.1646   2.35176   28.0411   -0.0484   13.3836   109.90387
115  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.1595   -0.1295   1.85013   28.1702   -0.0390   10.7955   109.70326
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.7981   -0.0581   0.82942   28.3245   -0.0180   5.98669   109.96266
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.2965   0.07354   1.05057   28.5092   0.02371   7.87499   109.62458
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.7319   0.27806   3.97230   28.6973   0.09337   31.0078   109.24364
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1870   0.36299   5.18554   28.9270   0.12745   35.2734   108.47651
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.6042   0.45576   6.51079   29.1779   0.16804   31.0033   106.73731
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0633   0.38668   5.52401   29.4869   0.15045   31.2281   106.92419
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.6965   0.11348   1.62114   29.4167   0.04242   14.0872   109.39394
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0817   0.14828   2.11833   29.5367   0.05731   15.8604   107.81637

  FITTING STATISTICS FOR 2 PARAMETERS FITTED TO 123 DATA:
      CHI^2 (WEIGHTED)=  17.4551
      MAXIMUM DELTA-PRESSURE= 0.456


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      Gamm0     q
    Gamm0:     100.0      95.0
    q    :      95.0     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     Gamm0     q
    Gamm0:   0.01943   0.03208
    q    :   0.03208   0.05872

*****WARNING:     P    T  has some esds=0: This may make weights and LS results invalid


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

EOSFIT-7.6>save /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_dac/weighted_precise_theta/fitted.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 10:33
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.7400           :Reference pressure volume: units are cm^3/mol
      K0:  16.3200           :Bulk modulus: units are GPa
      Kp:  5.26000           :dK/dP: dimensionless
     Kpp: -0.4128            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  144.960           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.17(14)          :Gruneisen parameter at Tref,Pref
       q:  1.5(2)            :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/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_dac/weighted_precise_theta/fitted.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_dac/weighted_precise_theta/fitted.eos


EOSFIT-7.6>
***** Macro completed

EOSFIT-7.6>