***********************************************************************************************************************
*                                                                                                                     *
*                                                     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_kprime_4p98/weighted_precise_theta/run.mcr

***** Running macro

EOSFIT-7.6>log /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/weighted_precise_theta/run.log


Successfully opened Log file
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/weighted_precise_theta/run.log


EOSFIT-7.6>read /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/weighted_precise_theta/input.dat


Successfully opened data file
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/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):41.55
          VALUE OF K0    (    10.000):17.55
          VALUE OF Kp    (     4.000):4.98
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.5500           :Reference pressure volume: units as volume data
      K0:  17.5500           :Bulk modulus: same units as pressure data
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :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    (    41.550):41.55
    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):2.11
    Gruneisen power law in V/V0:
                    VALUE OF q     (     0.000):1.5

*****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:  41.5500           :Reference pressure volume: units as volume data
      K0:  17.5500           :Bulk modulus: same units as pressure data
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :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:  2.11000           :Gruneisen parameter at Tref,Pref
       q:  1.50000           :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:  41.5500           :Reference pressure volume: units as volume data
      K0:  17.5500           :Bulk modulus: units are GPa
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :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:  2.11000           :Gruneisen parameter at Tref,Pref
       q:  1.50000           :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:  41.5500           :Reference pressure volume: units are cm^3/mol
      K0:  17.5500           :Bulk modulus: units are GPa
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :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:  2.11000           :Gruneisen parameter at Tref,Pref
       q:  1.50000           :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_kprime_4p98/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:  41.5500           :Reference pressure volume: units are cm^3/mol
      K0:  17.5500           :Bulk modulus: units are GPa
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :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:  2.11000           :Gruneisen parameter at Tref,Pref
       q:  1.50000           :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_kprime_4p98/weighted_precise_theta/initial.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/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   1.14164   0.04836       INF   39.1856   0.08188   28.3256
  2  1    2.01000   0.00000   300.000   0.00000   37.9079   0.00181   2.02423   -0.0142       INF   37.9278   -0.0199   11.0198
  3  1    3.35000   0.03000   300.000   0.00000   36.2140   0.00295   3.40074   -0.0507   1.69121   36.2694   -0.0555   18.7952
  4  1    5.11000   0.03000   300.000   0.00000   34.5458   0.00277   5.14130   -0.0313   1.04330   34.5724   -0.0266   9.59394
  5  1    7.26000   0.04000   300.000   0.00000   32.9524   0.00259   7.27062   -0.0106   0.26546   32.9595   -0.0070   2.72234
  6  1    7.55000   0.00000   300.000   0.00000   32.7455   0.00265   7.58757   -0.0376       INF   32.7697   -0.0242   9.12737
  7  1    9.36000   0.00000   300.000   0.00000   31.6484   0.00235   9.45139   -0.0914       INF   31.6980   -0.0496   21.1124
  8  1    11.0200   0.02000   300.000   0.00000   30.7945   0.00157   11.1446   -0.1246   6.23069   30.8535   -0.0590   37.6766
  9  1    13.0600   0.03000   300.000   0.00000   29.9052   0.00211   13.1752   -0.1152   3.83972   29.9523   -0.0471   22.3570
 10  1    14.8600   0.15000   300.000   0.00000   29.2401   0.00307   14.9007   -0.0407   0.27140   29.2550   -0.0149   4.84337
 11  1    16.7500   0.02000   300.000   0.00000   28.6555   0.00253   16.5843   0.16572   8.28600   28.6009   0.05454   21.5643
 12  1    17.6800   0.03000   300.000   0.00000   28.3079   0.00277   17.6672   0.01281   0.42712   28.3039   0.00399   1.44040
 13  1    19.4100   0.00000   300.000   0.00000   27.7659   0.00211   19.4898   -0.0798       INF   27.7886   -0.0227   10.7713
 14  1    21.3900   0.03000   300.000   0.00000   27.2654   0.00307   21.3320   0.05801   1.93380   27.2503   0.01507   4.90796
 15  1    23.0000   0.00000   300.000   0.00000   26.9616   0.00295   22.5314   0.46856       INF   26.8472   0.11436   38.7565
 16  1    25.0200   0.03000   300.000   0.00000   26.3939   0.00205   24.9542   0.06579   2.19294   26.3793   0.01464   7.14862
 17  1    26.4700   0.00000   300.000   0.00000   26.0785   0.00211   26.4110   0.05904       INF   26.0660   0.01241   5.88833
 18  1    2.43000   0.07000   500.000   30.0000   38.1539   0.00361   2.33208   0.09792   1.39888   38.0121   0.14175   39.2303
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.55115   0.10885   1.55496   38.0281   0.15890   37.6936
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.74554   0.08446   1.20660   38.1325   0.12551   29.7746
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.90212   0.06788   0.96965   38.2852   0.10351   21.4857
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.87808   0.08192   1.17036   38.6810   0.13352   24.6347
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.88048   0.06952   0.99311   39.1063   0.12129   22.3782
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.82615   0.09385   1.34071   39.6034   0.17825   24.6653
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.78802   0.10198   1.45686   40.1476   0.21219   27.1037
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.11322   -0.0832   1.18890   35.0479   -0.0761   11.4953
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.36656   -0.0866   1.23662   35.0305   -0.0792   14.6171
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.50927   -0.1093   1.56093   35.1343   -0.1017   21.1183
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.59763   -0.1176   1.68040   35.2791   -0.1122   26.6264
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.62504   -0.0850   1.21479   35.4481   -0.0837   19.8603
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.58836   -0.0284   0.40509   35.6639   -0.0291   6.03436
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.51349   0.02651   0.37877   35.9315   0.02854   5.92351
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.44579   0.04421   0.63157   36.2464   0.05021   9.26379
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.36716   0.07284   1.04060   36.5800   0.08764   14.5528
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.27206   0.16794   2.39915   36.8713   0.21423   29.6447
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.47478   -0.1348   1.92551   32.5486   -0.0838   11.5963
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.40910   -0.1091   1.55854   32.7153   -0.0699   9.66796
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.37715   -0.0772   1.10219   32.8612   -0.0507   8.42609
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.30864   -0.0186   0.26631   33.0182   -0.0126   2.33178
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.25140   -0.0014   0.01996   33.2010  -0.00098   0.20270
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.19748   -0.0275   0.39260   33.4193   -0.0199   3.67469
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.97298   0.12702   1.81459   33.6390   0.09642   16.0103
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.79412   0.18588   2.65540   33.9071   0.14812   18.9200
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.64087   0.12913   1.84471   34.2632   0.10876   25.8011
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.36835   0.16165   2.30923   34.6693   0.14591   24.2287
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.10789   0.18211   2.60151   35.1056   0.17692   13.9898
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.86250   0.08750   1.24999   35.6812   0.09268   10.2601
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.59295   0.11705   1.67213   36.2028   0.13542   16.0624
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.17476   -0.2448   3.49659   34.2679   -0.1970   40.8897
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.41919   -0.2392   3.41693   34.2502   -0.1926   35.5342
<-------------------------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   6.66857   -0.3486   4.97961   34.3234   -0.2827   58.6721
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.91592   -0.3859   5.51310   34.3395   -0.3138   86.8591
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.13766   -0.3777   5.39522   34.3392   -0.3081   63.9527
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.41021   -0.3802   5.43158   34.3056   -0.3094   73.3955
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.70112   -0.3211   4.58749   34.2058   -0.2590   47.7899
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.97772   -0.2677   3.82457   34.1234   -0.2145   39.5791
 57  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.26439   -0.2244   3.20557   34.0416   -0.1785   37.0494
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.18784   0.16216   2.31660   33.9764   0.13118   24.2025
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33381   0.39619   5.65980   33.8562   0.32004   66.4302
 60  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.44826   0.26174   3.73917   34.0556   0.21703   36.0386
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.63414   0.07586   1.08374   34.2457   0.06423   9.69575
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.75838   -0.1384   1.97687   34.5218   -0.1210   25.1058
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.25351   -0.2135   3.05013   33.4188   -0.1513   31.3999
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.48444   -0.1644   2.34908   33.3797   -0.1164   24.1612
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.72955   -0.2096   2.99364   33.3982   -0.1488   27.4493
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.97151   -0.1915   2.73581   33.3739   -0.1359   28.2113
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.19905   -0.1690   2.41495   33.3569   -0.1201   24.9285
 68  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.48069   -0.2207   3.15272   33.3543   -0.1567   32.5163
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.80484   -0.2148   3.06917   33.2802   -0.1512   31.3769
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.14017   -0.1902   2.71672   33.1855   -0.1323   27.4686
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.46311   -0.1431   2.04442   33.0848   -0.0985   20.4476
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.76627   -0.1063   1.51815   33.0058   -0.0726   15.0610
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0582   -0.0382   0.54501   32.9139   -0.0258   4.76492
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3172   -0.0172   0.24515   32.8768   -0.0116   2.13753
 75  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5565   -0.0865   1.23593   32.9143   -0.0587   9.74556
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8351   -0.2251   3.21625   32.9728   -0.1534   13.4034
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.7281   -0.1981   2.83044   30.3575   -0.0866   8.99196
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1762   -0.2562   3.65996   30.3749   -0.1125   12.4514
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5720   -0.4020   5.74334   30.4560   -0.1785   29.6364
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8571   -0.2471   3.53065   30.4526   -0.1106   20.4117
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4933   -0.0233   0.33274   30.7179   -0.0110   2.03160
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1557   -0.0157   0.22451   30.9833   -0.0078   1.43687
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8487   0.12131   1.73304   31.1792   0.06249   9.43344
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3906   0.22938   3.27689   31.4786   0.12495   25.9360
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1431   0.09689   1.38411   31.8118   0.05552   9.21948
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.94960   -0.0596   0.85140   31.6461   -0.0322   7.64976
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.3128   -0.0628   0.89699   31.6891   -0.0343   8.14566
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.6469   -0.0369   0.52734   31.7336   -0.0204   5.65720
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   11.0040   -0.0440   0.62862   31.7848   -0.0246   5.84670
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4365   -0.0865   1.23531   31.8144   -0.0488   11.5676
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6598   -0.0698   0.99697   31.8038   -0.0394   8.17620
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8586   -0.0786   1.12260   31.8216   -0.0446   10.5713
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.9110   0.03900   0.55712   30.1753   0.01670   3.08066
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.1430   -0.0230   0.32866   30.1940   -0.0099   1.82080
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.4009   -0.0709   1.01261   30.1959   -0.0304   5.05236
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.6338   -0.0738   1.05459   30.1894   -0.0317   5.84776
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8375   -0.0675   0.96425   30.1915   -0.0290   5.35789
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0947   -0.1147   1.63819   30.1938   -0.0494   10.2440
 99  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3295   -0.0995   1.42148   30.1788   -0.0428   8.88566
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.6094   -0.1394   1.99157   30.1682   -0.0599   12.4290
<-------------------------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   14.9093   -0.1593   2.27573   30.1403   -0.0682   14.1480
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1442   -0.1342   1.91770   30.1211   -0.0574   11.9131
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.3002   -0.0802   1.14542   30.1234   -0.0344   7.14329
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3548   0.00516   0.07372   30.1560   0.00224   0.41350
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2714   0.04858   0.69399   30.2680   0.02153   3.97241
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0662   0.10378   1.48253   30.4324   0.04745   7.87848
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.6389   -0.2489   3.55622   27.8000   -0.0710   11.7979
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.2747   -0.1247   1.78122   27.6934   -0.0349   5.79951
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.3949   -0.1549   2.21323   27.7256   -0.0437   7.24978
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.4994   -0.1294   1.84828   27.7469   -0.0367   6.08678
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.5690   -0.1290   1.84299   27.7857   -0.0368   6.11718
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5187   0.00127   0.01809   27.8219   0.00037   0.08687
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.4931   -0.0331   0.47286   27.8994   -0.0097   2.68000
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.3512   -0.1012   1.44596   28.0229   -0.0302   8.36729
115  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.0998   -0.0698   0.99645   28.1526   -0.0214   5.91005
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.7434   -0.0034   0.04902   28.3076   -0.0011   0.36043
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.2487   0.12126   1.73231   28.4932   0.03967   13.1757
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.6913   0.31872   4.55317   28.6822   0.10849   36.0304
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1522   0.39781   5.68303   28.9130   0.14145   39.1475
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.5747   0.48527   6.93237   29.1649   0.18097   33.3907
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0375   0.41246   5.89224   29.4753   0.16210   33.6474
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.7288   0.08120   1.15994   29.4284   0.03075   10.2111
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0793   0.15071   2.15299   29.5351   0.05890   16.3007

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:  41.5500           :Reference pressure volume: units are cm^3/mol
      K0:  17.5500           :Bulk modulus: units are GPa
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :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:  2.11000           :Gruneisen parameter at Tref,Pref
       q:  1.50000           :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        41.55000  [NOT REFINED]
 K0      0        17.55000  [NOT REFINED]
 Kp      0         4.98000  [NOT REFINED]
 Kpp     0        -0.33215  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       144.96001  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.11445          0.00445          0.17627           0.03
 q       1         1.50636          0.00636          0.32118           0.02
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  29.95 (AND ESD'S RESCALED BY W-CHI^2)


   RESULTS FROM CYCLE  2
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        41.55000  [NOT REFINED]
 K0      0        17.55000  [NOT REFINED]
 Kp      0         4.98000  [NOT REFINED]
 Kpp     0        -0.33215  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       144.96001  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.11446          0.00001          0.17656           0.00
 q       1         1.50637          0.00001          0.32107           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  29.95 (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        41.55000  [NOT REFINED]
 K0      0        17.55000  [NOT REFINED]
 Kp      0         4.98000  [NOT REFINED]
 Kpp     0        -0.33215  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       144.96001  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.11446          0.00001          0.17656           0.00
 q       1         1.50637          0.00001          0.32107           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  29.95 (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   1.14164   0.04836       INF   39.1856   0.08188   28.3256   348099.00
  2  1    2.01000   0.00000   300.000   0.00000   37.9079   0.00181   2.02423   -0.0142       INF   37.9278   -0.0199   11.0198   600404.25
  3  1    3.35000   0.03000   300.000   0.00000   36.2140   0.00295   3.40074   -0.0507   1.69121   36.2694   -0.0555   18.7952   1102.0984
  4  1    5.11000   0.03000   300.000   0.00000   34.5458   0.00277   5.14130   -0.0313   1.04330   34.5724   -0.0266   9.59394   1098.0978
  5  1    7.26000   0.04000   300.000   0.00000   32.9524   0.00259   7.27062   -0.0106   0.26546   32.9595   -0.0070   2.72234   619.09869
  6  1    7.55000   0.00000   300.000   0.00000   32.7455   0.00265   7.58757   -0.0376       INF   32.7697   -0.0242   9.12737   58603.453
  7  1    9.36000   0.00000   300.000   0.00000   31.6484   0.00235   9.45139   -0.0914       INF   31.6980   -0.0496   21.1124   52970.297
  8  1    11.0200   0.02000   300.000   0.00000   30.7945   0.00157   11.1446   -0.1246   6.23069   30.8535   -0.0590   37.6766   2432.8176
  9  1    13.0600   0.03000   300.000   0.00000   29.9052   0.00211   13.1752   -0.1152   3.83972   29.9523   -0.0471   22.3570   1079.0659
 10  1    14.8600   0.15000   300.000   0.00000   29.2401   0.00307   14.9007   -0.0407   0.27140   29.2550   -0.0149   4.84337   44.305374
 11  1    16.7500   0.02000   300.000   0.00000   28.6555   0.00253   16.5843   0.16572   8.28600   28.6009   0.05454   21.5643   2182.1394
 12  1    17.6800   0.03000   300.000   0.00000   28.3079   0.00277   17.6672   0.01281   0.42712   28.3039   0.00399   1.44040   1021.4850
 13  1    19.4100   0.00000   300.000   0.00000   27.7659   0.00211   19.4898   -0.0798       INF   27.7886   -0.0227   10.7713   18193.270
 14  1    21.3900   0.03000   300.000   0.00000   27.2654   0.00307   21.3320   0.05801   1.93380   27.2503   0.01507   4.90796   962.05829
 15  1    23.0000   0.00000   300.000   0.00000   26.9616   0.00295   22.5314   0.46856       INF   26.8472   0.11436   38.7565   6996.5166
 16  1    25.0200   0.03000   300.000   0.00000   26.3939   0.00205   24.9542   0.06579   2.19294   26.3793   0.01464   7.14862   1015.7608
 17  1    26.4700   0.00000   300.000   0.00000   26.0785   0.00211   26.4110   0.05904       INF   26.0660   0.01241   5.88833   9995.7285
 18  1    2.43000   0.07000   500.000   30.0000   38.1539   0.00361   2.33283   0.09717   1.38815   38.0132   0.14069   38.9368   98.354195
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.55229   0.10771   1.53877   38.0297   0.15729   37.3117   98.119797
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.74706   0.08294   1.18480   38.1348   0.12330   29.2489   97.921806
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.90406   0.06594   0.94193   38.2881   0.10061   20.8839   97.657959
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.88052   0.07948   1.13539   38.6849   0.12963   23.9168   97.028076
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.88347   0.06653   0.95039   39.1114   0.11618   21.4365   96.459251
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.82977   0.09023   1.28898   39.6101   0.17158   23.7431   95.668175
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.79233   0.09767   1.39525   40.1563   0.20353   25.9976   94.910156
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.11368   -0.0837   1.19545   35.0484   -0.0766   11.5598   102.55167
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.36725   -0.0873   1.24645   35.0312   -0.0799   14.7361   102.54053
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.51020   -0.1102   1.57428   35.1352   -0.1026   21.3028   102.36560
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.59883   -0.1188   1.69757   35.2803   -0.1134   26.9051   102.15001
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.62653   -0.0865   1.23620   35.4496   -0.0852   20.2178   101.80975
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.59019   -0.0302   0.43134   35.6658   -0.0310   6.42868   101.33219
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.51571   0.02429   0.34703   35.9338   0.02617   5.43100   100.85133
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.44843   0.04157   0.59385   36.2494   0.04724   8.71621   100.31712
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.37026   0.06974   0.99624   36.5836   0.08398   13.9447   99.752342
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.27569   0.16431   2.34731   36.8757   0.20980   29.0319   99.090378
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.47501   -0.1350   1.92878   32.5487   -0.0839   11.6158   105.60351
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.40947   -0.1095   1.56382   32.7155   -0.0701   9.70121   105.12273
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.37768   -0.0777   1.10972   32.8615   -0.0511   8.48563   105.18206
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.30935   -0.0193   0.27640   33.0187   -0.0131   2.42047   104.99124
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.25230   -0.0023   0.03287   33.2017   -0.0016   0.33335   104.79308
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.19860   -0.0286   0.40861   33.4201   -0.0207   3.82601   104.33396
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.97438   0.12562   1.79450   33.6401   0.09538   15.8380   103.71719
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.79584   0.18416   2.63089   33.9084   0.14682   18.7544   102.86231
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.64292   0.12708   1.81537   34.2649   0.10709   25.4030   103.10007
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.37084   0.15916   2.27374   34.6714   0.14376   23.8714   102.22413
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.11086   0.17914   2.55910   35.1084   0.17417   13.7720   100.29305
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.86601   0.08399   1.19984   35.6849   0.08905   9.85810   100.51882
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.59709   0.11291   1.61294   36.2074   0.13078   15.5113   99.905357
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.17514   -0.2451   3.50195   34.2682   -0.1973   40.9554   104.12487
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.41975   -0.2397   3.42500   34.2507   -0.1931   35.6236   103.79359
<-------------------------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   6.66933   -0.3493   4.99036   34.3241   -0.2833   58.8107   103.77374
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.91686   -0.3869   5.52653   34.3404   -0.3147   87.0903   103.87289
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.13880   -0.3788   5.41139   34.3402   -0.3091   64.1641   103.62477
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.41152   -0.3815   5.45032   34.3068   -0.3106   73.6742   103.71948
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.70261   -0.3226   4.60867   34.2071   -0.2603   48.0299   103.55477
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.97938   -0.2694   3.84823   34.1248   -0.2159   39.8416   103.58250
 57  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.26621   -0.2262   3.23158   34.0431   -0.1800   37.3693   103.73301
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.18997   0.16003   2.28620   33.9781   0.12952   23.8978   103.27753
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33617   0.39383   5.62608   33.8579   0.31832   66.0723   103.26846
 60  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.45088   0.25912   3.70178   34.0576   0.21501   35.7029   102.92858
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.63698   0.07302   1.04312   34.2481   0.06187   9.33929   102.76283
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.76149   -0.1415   2.02131   34.5247   -0.1238   25.6918   102.93008
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.25381   -0.2138   3.05444   33.4190   -0.1515   31.4458   105.29548
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.48489   -0.1649   2.35558   33.3800   -0.1167   24.2317   105.03919
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.73016   -0.2102   3.00232   33.3987   -0.1492   27.5324   104.76075
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.97227   -0.1923   2.74666   33.3745   -0.1365   28.3277   104.81203
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.19996   -0.1700   2.42800   33.3576   -0.1208   25.0686   104.74064
 68  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.48175   -0.2217   3.16782   33.3551   -0.1575   32.6818   104.74541
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.80602   -0.2160   3.08608   33.2811   -0.1521   31.5614   104.80489
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.14147   -0.1915   2.73533   33.1864   -0.1333   27.6673   104.88303
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.46453   -0.1445   2.06470   33.0858   -0.0995   20.6582   104.95289
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.76781   -0.1078   1.54009   33.0069   -0.0736   15.2842   105.01017
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0598   -0.0398   0.56862   32.9151   -0.0270   4.97466   104.91231
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3189   -0.0189   0.27056   32.8780   -0.0128   2.36064   104.93425
 75  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5584   -0.0884   1.26324   32.9156   -0.0600   9.96663   104.77341
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8372   -0.2272   3.24518   32.9743   -0.1548   13.5317   102.57699
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.7282   -0.1982   2.83085   30.3575   -0.0867   8.99295   105.20802
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1763   -0.2563   3.66083   30.3750   -0.1125   12.4552   105.40105
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5721   -0.4021   5.74480   30.4561   -0.1785   29.6475   107.89733
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8573   -0.2473   3.53300   30.4527   -0.1107   20.4286   108.14458
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4937   -0.0237   0.33810   30.7181   -0.0112   2.06538   107.68199
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1563   -0.0163   0.23238   30.9835   -0.0081   1.48649   107.35206
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8494   0.12056   1.72235   31.1795   0.06213   9.37845   106.40781
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3916   0.22835   3.26221   31.4792   0.12444   25.8291   106.79902
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1444   0.09561   1.36587   31.8126   0.05481   9.10103   105.99380
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.94975   -0.0597   0.85354   31.6462   -0.0323   7.66786   107.87884
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.3131   -0.0631   0.90149   31.6893   -0.0345   8.18728   107.33363
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.6474   -0.0374   0.53441   31.7339   -0.0207   5.73215   107.22786
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   11.0047   -0.0447   0.63836   31.7852   -0.0250   5.93810   106.88212
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4373   -0.0873   1.24758   31.8149   -0.0493   11.6871   106.82045
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6607   -0.0707   1.01050   31.8043   -0.0399   8.28982   106.60773
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8596   -0.0796   1.13749   31.8222   -0.0452   10.7147   106.77242
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.9110   0.03898   0.55682   30.1753   0.01668   3.07749   109.15504
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.1430   -0.0230   0.32915   30.1941   -0.0099   1.82327   108.83121
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.4009   -0.0709   1.01324   30.1959   -0.0304   5.05553   108.21449
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.6339   -0.0739   1.05538   30.1894   -0.0317   5.85304   108.53257
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8376   -0.0676   0.96525   30.1916   -0.0291   5.36387   108.43750
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0948   -0.1148   1.63931   30.1938   -0.0494   10.2531   108.79077
 99  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3296   -0.0996   1.42276   30.1788   -0.0428   8.89397   108.75657
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.6095   -0.1395   1.99287   30.1682   -0.0599   12.4385   108.75496
<-------------------------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   14.9094   -0.1594   2.27695   30.1404   -0.0682   14.1583   108.77179
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1443   -0.1343   1.91901   30.1212   -0.0574   11.9238   108.75904
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.3003   -0.0803   1.14708   30.1235   -0.0345   7.15477   108.71723
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3550   0.00499   0.07132   30.1561   0.00216   0.39942   108.23943
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2717   0.04831   0.69017   30.2681   0.02142   3.95200   108.09174
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0666   0.10336   1.47656   30.4326   0.04727   7.84934   107.50254
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.6384   -0.2484   3.54917   27.7999   -0.0709   11.7751   109.20127
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.2745   -0.1245   1.77828   27.6934   -0.0349   5.79001   109.93359
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.3946   -0.1546   2.20887   27.7255   -0.0436   7.23553   109.56710
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.4990   -0.1290   1.84258   27.7468   -0.0365   6.06809   109.33813
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.5685   -0.1285   1.83599   27.7855   -0.0367   6.09469   109.19650
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5182   0.00183   0.02619   27.8218   0.00053   0.12533   111.82333
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.4925   -0.0325   0.46376   27.8992   -0.0095   2.62827   112.38211
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.3505   -0.1005   1.43610   28.0227   -0.0300   8.31133   112.21136
115  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.0990   -0.0690   0.98615   28.1524   -0.0211   5.84934   112.01247
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.7427   -0.0027   0.03875   28.3073  -0.00086   0.28442   112.27658
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.2481   0.12194   1.74195   28.4930   0.03990   13.2510   111.93156
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.6907   0.31931   4.56164   28.6819   0.10871   36.1045   111.54663
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1517   0.39830   5.68998   28.9128   0.14166   39.2045   110.77411
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.5744   0.48560   6.93716   29.1648   0.18114   33.4209   109.01222
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0374   0.41262   5.89452   29.4752   0.16221   33.6696   109.20592
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.7288   0.08124   1.16059   29.4283   0.03076   10.2168   111.63755
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0792   0.15084   2.15487   29.5350   0.05896   16.3181   110.10346

  FITTING STATISTICS FOR 2 PARAMETERS FITTED TO 123 DATA:
      CHI^2 (WEIGHTED)=  29.9493
      MAXIMUM DELTA-PRESSURE= 0.486


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      Gamm0     q
    Gamm0:     100.0      94.8
    q    :      94.8     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     Gamm0     q
    Gamm0:   0.03117   0.05373
    q    :   0.05373   0.10309

*****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:  41.5500           :Reference pressure volume: units are cm^3/mol
      K0:  17.5500           :Bulk modulus: units are GPa
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :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:  2.11(18)          :Gruneisen parameter at Tref,Pref
       q:  1.5(3)            :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        41.55000  [NOT REFINED]
 K0      0        17.55000  [NOT REFINED]
 Kp      0         4.98000  [NOT REFINED]
 Kpp     0        -0.33215  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       144.96001  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.11445         -0.00000          0.17656          -0.00
 q       1         1.50637         -0.00000          0.32106          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  29.95 (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        41.55000  [NOT REFINED]
 K0      0        17.55000  [NOT REFINED]
 Kp      0         4.98000  [NOT REFINED]
 Kpp     0        -0.33215  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       144.96001  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.11445         -0.00000          0.17656          -0.00
 q       1         1.50637         -0.00000          0.32106          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  29.95 (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   1.14164   0.04836       INF   39.1856   0.08188   28.3256   348099.00
  2  1    2.01000   0.00000   300.000   0.00000   37.9079   0.00181   2.02423   -0.0142       INF   37.9278   -0.0199   11.0198   600404.25
  3  1    3.35000   0.03000   300.000   0.00000   36.2140   0.00295   3.40074   -0.0507   1.69121   36.2694   -0.0555   18.7952   1102.0984
  4  1    5.11000   0.03000   300.000   0.00000   34.5458   0.00277   5.14130   -0.0313   1.04330   34.5724   -0.0266   9.59394   1098.0978
  5  1    7.26000   0.04000   300.000   0.00000   32.9524   0.00259   7.27062   -0.0106   0.26546   32.9595   -0.0070   2.72234   619.09869
  6  1    7.55000   0.00000   300.000   0.00000   32.7455   0.00265   7.58757   -0.0376       INF   32.7697   -0.0242   9.12737   58603.453
  7  1    9.36000   0.00000   300.000   0.00000   31.6484   0.00235   9.45139   -0.0914       INF   31.6980   -0.0496   21.1124   52970.297
  8  1    11.0200   0.02000   300.000   0.00000   30.7945   0.00157   11.1446   -0.1246   6.23069   30.8535   -0.0590   37.6766   2432.8176
  9  1    13.0600   0.03000   300.000   0.00000   29.9052   0.00211   13.1752   -0.1152   3.83972   29.9523   -0.0471   22.3570   1079.0659
 10  1    14.8600   0.15000   300.000   0.00000   29.2401   0.00307   14.9007   -0.0407   0.27140   29.2550   -0.0149   4.84337   44.305374
 11  1    16.7500   0.02000   300.000   0.00000   28.6555   0.00253   16.5843   0.16572   8.28600   28.6009   0.05454   21.5643   2182.1394
 12  1    17.6800   0.03000   300.000   0.00000   28.3079   0.00277   17.6672   0.01281   0.42712   28.3039   0.00399   1.44040   1021.4850
 13  1    19.4100   0.00000   300.000   0.00000   27.7659   0.00211   19.4898   -0.0798       INF   27.7886   -0.0227   10.7713   18193.270
 14  1    21.3900   0.03000   300.000   0.00000   27.2654   0.00307   21.3320   0.05801   1.93380   27.2503   0.01507   4.90796   962.05829
 15  1    23.0000   0.00000   300.000   0.00000   26.9616   0.00295   22.5314   0.46856       INF   26.8472   0.11436   38.7565   6996.5166
 16  1    25.0200   0.03000   300.000   0.00000   26.3939   0.00205   24.9542   0.06579   2.19294   26.3793   0.01464   7.14862   1015.7608
 17  1    26.4700   0.00000   300.000   0.00000   26.0785   0.00211   26.4110   0.05904       INF   26.0660   0.01241   5.88833   9995.7285
 18  1    2.43000   0.07000   500.000   30.0000   38.1539   0.00361   2.33283   0.09717   1.38816   38.0132   0.14069   38.9379   98.353874
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.55229   0.10771   1.53878   38.0297   0.15729   37.3117   98.119141
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.74706   0.08294   1.18481   38.1348   0.12330   29.2498   97.920830
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.90406   0.06594   0.94194   38.2881   0.10061   20.8839   97.657639
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.88052   0.07948   1.13541   38.6849   0.12963   23.9175   97.027451
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.88347   0.06653   0.95041   39.1114   0.11619   21.4379   96.458908
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.82977   0.09023   1.28900   39.6101   0.17158   23.7431   95.667862
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.79233   0.09767   1.39528   40.1563   0.20353   25.9976   94.909843
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.11368   -0.0837   1.19545   35.0484   -0.0766   11.5598   102.55167
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.36725   -0.0873   1.24644   35.0312   -0.0799   14.7361   102.53988
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.51020   -0.1102   1.57428   35.1352   -0.1026   21.3028   102.36489
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.59883   -0.1188   1.69756   35.2803   -0.1134   26.9051   102.15001
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.62653   -0.0865   1.23619   35.4496   -0.0852   20.2178   101.80975
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.59019   -0.0302   0.43133   35.6658   -0.0310   6.42868   101.33154
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.51571   0.02429   0.34704   35.9338   0.02616   5.43021   100.85133
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.44843   0.04157   0.59387   36.2494   0.04725   8.71691   100.31786
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.37026   0.06974   0.99625   36.5836   0.08397   13.9440   99.750992
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.27569   0.16431   2.34734   36.8757   0.20980   29.0324   99.090378
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.47501   -0.1350   1.92878   32.5487   -0.0839   11.6158   105.60351
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.40947   -0.1095   1.56384   32.7155   -0.0701   9.70121   105.12297
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.37768   -0.0777   1.10972   32.8615   -0.0511   8.48563   105.18206
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.30935   -0.0193   0.27640   33.0187   -0.0131   2.42047   104.98982
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.25230   -0.0023   0.03287   33.2017   -0.0016   0.33335   104.79295
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.19860   -0.0286   0.40861   33.4201   -0.0207   3.82601   104.33521
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.97438   0.12562   1.79450   33.6401   0.09538   15.8380   103.71587
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.79584   0.18416   2.63089   33.9084   0.14682   18.7544   102.86231
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.64292   0.12708   1.81537   34.2649   0.10709   25.4039   103.10013
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.37084   0.15916   2.27376   34.6714   0.14376   23.8714   102.22358
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.11086   0.17914   2.55911   35.1083   0.17417   13.7723   100.29249
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.86601   0.08399   1.19985   35.6849   0.08905   9.85852   100.51746
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.59709   0.11291   1.61296   36.2074   0.13077   15.5108   99.905220
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.17514   -0.2451   3.50195   34.2682   -0.1973   40.9554   104.12417
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.41975   -0.2397   3.42500   34.2507   -0.1931   35.6236   103.79353
<-------------------------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   6.66932   -0.3493   4.99035   34.3241   -0.2833   58.8099   103.77444
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.91686   -0.3869   5.52652   34.3404   -0.3147   87.0903   103.87289
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.13880   -0.3788   5.41139   34.3402   -0.3091   64.1641   103.62542
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.41152   -0.3815   5.45032   34.3068   -0.3106   73.6742   103.71884
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.70261   -0.3226   4.60867   34.2071   -0.2603   48.0299   103.55477
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.97937   -0.2694   3.84821   34.1248   -0.2159   39.8409   103.58250
 57  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.26621   -0.2262   3.23157   34.0431   -0.1800   37.3685   103.73301
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.18996   0.16004   2.28622   33.9781   0.12952   23.8978   103.27753
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33617   0.39383   5.62608   33.8579   0.31832   66.0723   103.26579
 60  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.45087   0.25913   3.70180   34.0576   0.21500   35.7022   102.92984
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.63698   0.07302   1.04313   34.2481   0.06187   9.33929   102.76143
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.76149   -0.1415   2.02130   34.5247   -0.1238   25.6910   102.93147
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.25381   -0.2138   3.05444   33.4190   -0.1515   31.4458   105.29548
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.48489   -0.1649   2.35558   33.3800   -0.1167   24.2317   105.03854
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.73016   -0.2102   3.00232   33.3987   -0.1492   27.5324   104.76075
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.97227   -0.1923   2.74666   33.3745   -0.1365   28.3277   104.81126
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.19996   -0.1700   2.42800   33.3576   -0.1208   25.0686   104.74064
 68  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.48175   -0.2217   3.16782   33.3551   -0.1574   32.6810   104.74541
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.80602   -0.2160   3.08608   33.2810   -0.1521   31.5606   104.80489
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.14147   -0.1915   2.73533   33.1864   -0.1333   27.6673   104.88175
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.46453   -0.1445   2.06469   33.0858   -0.0995   20.6582   104.95274
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.76781   -0.1078   1.54009   33.0069   -0.0736   15.2842   105.00890
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0598   -0.0398   0.56862   32.9151   -0.0270   4.97466   104.91231
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3189   -0.0189   0.27056   32.8780   -0.0128   2.36064   104.93282
 75  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5584   -0.0884   1.26324   32.9156   -0.0600   9.96663   104.77200
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8372   -0.2272   3.24518   32.9743   -0.1548   13.5317   102.57664
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.7282   -0.1982   2.83085   30.3575   -0.0867   8.99295   105.20802
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1763   -0.2563   3.66084   30.3750   -0.1125   12.4554   105.40105
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5721   -0.4021   5.74481   30.4561   -0.1785   29.6475   107.89848
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8573   -0.2473   3.53301   30.4527   -0.1107   20.4279   108.14485
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4937   -0.0237   0.33812   30.7181   -0.0112   2.06538   107.68199
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1563   -0.0163   0.23240   30.9835   -0.0081   1.48649   107.35206
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8494   0.12056   1.72234   31.1795   0.06212   9.37758   106.40781
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3916   0.22835   3.26221   31.4792   0.12444   25.8291   106.80045
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1444   0.09561   1.36587   31.8126   0.05481   9.10103   105.99522
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.94975   -0.0597   0.85354   31.6462   -0.0323   7.66786   107.87755
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.3131   -0.0631   0.90149   31.6893   -0.0345   8.18728   107.33363
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.6474   -0.0374   0.53441   31.7339   -0.0207   5.73215   107.22786
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   11.0047   -0.0447   0.63838   31.7852   -0.0250   5.93855   106.88212
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4373   -0.0873   1.24760   31.8149   -0.0493   11.6871   106.82045
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6607   -0.0707   1.01050   31.8043   -0.0399   8.29061   106.60754
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8596   -0.0796   1.13749   31.8222   -0.0452   10.7147   106.77242
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.9110   0.03898   0.55682   30.1753   0.01668   3.07819   109.15476
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.1430   -0.0230   0.32915   30.1941   -0.0099   1.82327   108.83121
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.4009   -0.0709   1.01324   30.1959   -0.0304   5.05521   108.21449
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.6339   -0.0739   1.05539   30.1894   -0.0317   5.85339   108.53257
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8376   -0.0676   0.96527   30.1916   -0.0291   5.36423   108.43634
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0948   -0.1148   1.63933   30.1938   -0.0494   10.2527   108.79222
 99  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3296   -0.0996   1.42277   30.1788   -0.0429   8.89437   108.75630
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.6095   -0.1395   1.99288   30.1682   -0.0599   12.4389   108.75496
<-------------------------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   14.9094   -0.1594   2.27697   30.1404   -0.0682   14.1587   108.77179
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1443   -0.1343   1.91902   30.1212   -0.0574   11.9242   108.75904
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.3003   -0.0803   1.14709   30.1235   -0.0345   7.15516   108.71673
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3550   0.00499   0.07129   30.1561   0.00217   0.39977   108.23798
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2717   0.04831   0.69016   30.2681   0.02142   3.95200   108.09148
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0666   0.10336   1.47655   30.4326   0.04727   7.84934   107.50254
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.6384   -0.2484   3.54917   27.7999   -0.0709   11.7751   109.20312
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.2745   -0.1245   1.77828   27.6934   -0.0349   5.79001   109.93177
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.3946   -0.1546   2.20887   27.7255   -0.0436   7.23553   109.56710
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.4990   -0.1290   1.84258   27.7468   -0.0365   6.06841   109.33997
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.5685   -0.1285   1.83599   27.7855   -0.0367   6.09501   109.19650
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5182   0.00183   0.02616   27.8218   0.00053   0.12533   111.82038
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.4925   -0.0325   0.46376   27.8992   -0.0095   2.62774   112.38211
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.3505   -0.1005   1.43610   28.0227   -0.0300   8.31186   112.21436
115  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.0990   -0.0690   0.98618   28.1524   -0.0211   5.84934   112.01006
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.7427   -0.0027   0.03877   28.3073  -0.00086   0.28568   112.27357
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.2481   0.12193   1.74193   28.4930   0.03990   13.2510   111.93156
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.6907   0.31931   4.56164   28.6819   0.10871   36.1039   111.54922
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1517   0.39830   5.68995   28.9128   0.14165   39.2029   110.77411
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.5744   0.48560   6.93714   29.1648   0.18114   33.4209   109.01158
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0374   0.41262   5.89452   29.4752   0.16221   33.6692   109.20828
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.7288   0.08124   1.16058   29.4283   0.03076   10.2168   111.63625
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0792   0.15084   2.15484   29.5350   0.05896   16.3181   110.10346

  FITTING STATISTICS FOR 2 PARAMETERS FITTED TO 123 DATA:
      CHI^2 (WEIGHTED)=  29.9493
      MAXIMUM DELTA-PRESSURE= 0.486


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      Gamm0     q
    Gamm0:     100.0      94.8
    q    :      94.8     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     Gamm0     q
    Gamm0:   0.03117   0.05373
    q    :   0.05373   0.10308

*****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_kprime_4p98/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:  41.5500           :Reference pressure volume: units are cm^3/mol
      K0:  17.5500           :Bulk modulus: units are GPa
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :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:  2.11(18)          :Gruneisen parameter at Tref,Pref
       q:  1.5(3)            :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_kprime_4p98/weighted_precise_theta/fitted.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/weighted_precise_theta/fitted.eos


EOSFIT-7.6>
***** Macro completed

EOSFIT-7.6>