***********************************************************************************************************************
*                                                                                                                     *
*                                                     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 09:36                                                                     *
*                                                                                                                     *
***********************************************************************************************************************

EOSFIT-7.6>

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

***** Running macro

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


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


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


Successfully opened data file
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbbr/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):16.28
          VALUE OF Kp    (     4.000):5.28
 
 
  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:  16.2800           :Bulk modulus: same units as pressure data
      Kp:  5.28000           :dK/dP: dimensionless
     Kpp: -0.4181            :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):2.18
    Gruneisen power law in V/V0:
                    VALUE OF q     (     0.000):1.52

*****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:  16.2800           :Bulk modulus: same units as pressure data
      Kp:  5.28000           :dK/dP: dimensionless
     Kpp: -0.4181            :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:  2.18000           :Gruneisen parameter at Tref,Pref
       q:  1.52000           :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:  16.2800           :Bulk modulus: units are GPa
      Kp:  5.28000           :dK/dP: dimensionless
     Kpp: -0.4181            :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:  2.18000           :Gruneisen parameter at Tref,Pref
       q:  1.52000           :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:  16.2800           :Bulk modulus: units are GPa
      Kp:  5.28000           :dK/dP: dimensionless
     Kpp: -0.4181            :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:  2.18000           :Gruneisen parameter at Tref,Pref
       q:  1.52000           :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-eosfit7c/rbbr/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:  16.2800           :Bulk modulus: units are GPa
      Kp:  5.28000           :dK/dP: dimensionless
     Kpp: -0.4181            :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:  2.18000           :Gruneisen parameter at Tref,Pref
       q:  1.52000           :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-eosfit7c/rbbr/weighted_precise_theta/initial.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbbr/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   1.16815   0.02185       INF   39.2289   0.03849   13.3169
  2  1    2.01000   0.00000   300.000   0.00000   37.9079   0.00181   2.02212   -0.0121       INF   37.9253   -0.0175   9.66638
  3  1    3.35000   0.03000   300.000   0.00000   36.2140   0.00295   3.36550   -0.0155   0.51669   36.2312   -0.0172   5.84321
  4  1    5.11000   0.03000   300.000   0.00000   34.5458   0.00277   5.07953   0.03047   1.01563   34.5198   0.02606   9.40804
  5  1    7.26000   0.04000   300.000   0.00000   32.9524   0.00259   7.19408   0.06592   1.64812   32.9087   0.04372   16.8821
  6  1    7.55000   0.00000   300.000   0.00000   32.7455   0.00265   7.51021   0.03978       INF   32.7200   0.02555   9.64421
  7  1    9.36000   0.00000   300.000   0.00000   31.6484   0.00235   9.37543   -0.0154       INF   31.6567   -0.0083   3.54161
  8  1    11.0200   0.02000   300.000   0.00000   30.7945   0.00157   11.0781   -0.0581   2.90337   30.8217   -0.0272   17.3820
  9  1    13.0600   0.03000   300.000   0.00000   29.9052   0.00211   13.1286   -0.0686   2.28825   29.9329   -0.0277   13.1467
 10  1    14.8600   0.15000   300.000   0.00000   29.2401   0.00307   14.8777   -0.0177   0.11813   29.2465   -0.0064   2.07484
 11  1    16.7500   0.02000   300.000   0.00000   28.6555   0.00253   16.5894   0.16059   8.02965   28.6035   0.05192   20.5289
 12  1    17.6800   0.03000   300.000   0.00000   28.3079   0.00277   17.6929   -0.0129   0.42845   28.3118   -0.0039   1.41699
 13  1    19.4100   0.00000   300.000   0.00000   27.7659   0.00211   19.5541   -0.1441       INF   27.8060   -0.0401   19.0459
 14  1    21.3900   0.03000   300.000   0.00000   27.2654   0.00307   21.4399   -0.0499   1.66372   27.2780   -0.0127   4.12982
 15  1    23.0000   0.00000   300.000   0.00000   26.9616   0.00295   22.6702   0.32981       INF   26.8829   0.07867   26.6596
 16  1    25.0200   0.03000   300.000   0.00000   26.3939   0.00205   25.1604   -0.1404   4.67974   26.4244   -0.0305   14.8860
 17  1    26.4700   0.00000   300.000   0.00000   26.0785   0.00211   26.6608   -0.1908       INF   26.1176   -0.0391   18.5581
 18  1    2.43000   0.07000   500.000   30.0000   38.1539   0.00361   2.34661   0.08339   1.19133   38.0292   0.12471   34.5143
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.57222   0.08778   1.25396   38.0545   0.13255   31.4433
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.77401   0.05599   0.79988   38.1718   0.08624   20.4576
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.93936   0.03064   0.43777   38.3402   0.04856   10.0805
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.93076   0.02924   0.41773   38.7647   0.04979   9.18707
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.94859   0.00141   0.02018   39.2250   0.00259   0.47860
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.91315   0.00685   0.09789   39.7679   0.01380   1.90931
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.89471   -0.0047   0.06735   40.3703   -0.0105   1.33998
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.06750   -0.0375   0.53569   35.0065   -0.0347   5.23514
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.32566   -0.0457   0.65223   34.9936   -0.0423   7.79771
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.47480   -0.0748   1.06852   35.1031   -0.0705   14.6381
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.57054   -0.0905   1.29341   35.2545   -0.0876   20.7852
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.60654   -0.0665   0.95060   35.4310   -0.0666   15.7909
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.58000   -0.0200   0.28567   35.6557   -0.0209   4.33356
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.51663   0.02337   0.33391   35.9343   0.02570   5.33519
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.46105   0.02895   0.41356   36.2629   0.03370   6.21832
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.39564   0.04436   0.63370   36.6127   0.05490   9.11718
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.31520   0.12480   1.78291   36.9211   0.16443   22.7539
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.40576   -0.0658   0.93946   32.5056   -0.0408   5.64400
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.34509   -0.0451   0.64421   32.6743   -0.0288   3.99176
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.31847   -0.0185   0.26387   32.8226   -0.0121   2.01752
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.25574   0.03426   0.48947   32.9823   0.02325   4.28983
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.20462   0.04538   0.64828   33.1682   0.03184   6.60921
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.15720   0.01280   0.18282   33.3901   0.00932   1.71875
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.94102   0.15898   2.27115   33.6140   0.12144   20.1651
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.77101   0.20899   2.98564   33.8872   0.16797   21.4558
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.62717   0.14283   2.04044   34.2503   0.12165   28.8580
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.36670   0.16330   2.33282   34.6656   0.14956   24.8342
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.11965   0.17035   2.43356   35.1139   0.16857   13.3295
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.88901   0.06099   0.87130   35.7078   0.06614   7.32136
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.63658   0.07342   1.04885   36.2508   0.08743   10.3700
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.11691   -0.1869   2.67012   34.2222   -0.1514   31.4157
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.36613   -0.1861   2.65899   34.2085   -0.1508   27.8315
<-------------------------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   6.62027   -0.3003   4.28962   34.2860   -0.2453   50.9076
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.87242   -0.3424   4.89176   34.3063   -0.2806   77.6657
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.09922   -0.3392   4.84600   34.3102   -0.2790   57.9207
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.37634   -0.3463   4.94769   34.2804   -0.2843   67.4321
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.67164   -0.2916   4.16622   34.1841   -0.2373   43.7781
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.95276   -0.2428   3.46797   34.1051   -0.1962   36.2056
 57  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.24384   -0.2038   2.91206   34.0267   -0.1636   33.9582
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.17546   0.17454   2.49338   33.9650   0.14259   26.3091
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.32743   0.40257   5.75096   33.8477   0.32853   68.1912
 60  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.44833   0.26167   3.73819   34.0531   0.21954   36.4554
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.63985   0.07015   1.00216   34.2498   0.06018   9.08476
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.77059   -0.1506   2.15126   34.5345   -0.1336   27.7378
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.18807   -0.1481   2.11533   33.3726   -0.1051   21.8151
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.42373   -0.1037   1.48191   33.3369   -0.0736   15.2732
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.67354   -0.1535   2.19337   33.3587   -0.1093   20.1612
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.92021   -0.1402   2.00300   33.3378   -0.0998   20.7129
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.15255   -0.1226   1.75074   33.3241   -0.0873   18.1300
 68  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.43872   -0.1787   2.55311   33.3250   -0.1273   26.4250
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.76716   -0.1772   2.53083   33.2541   -0.1251   25.9673
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.10673   -0.1567   2.23901   33.1626   -0.1095   22.7185
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.43398   -0.1140   1.62821   33.0650   -0.0787   16.3413
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.74155   -0.0815   1.16499   32.9892   -0.0559   11.5976
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0379   -0.0179   0.25569   32.9003   -0.0122   2.24310
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3015   -0.0015   0.02172   32.8663   -0.0010   0.19003
 75  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5456   -0.0756   1.07979   32.9071   -0.0515   8.55151
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8287   -0.2187   3.12463   32.9692   -0.1497   13.0840
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.6798   -0.1498   2.14030   30.3357   -0.0648   6.72105
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1363   -0.2163   3.08990   30.3564   -0.0939   10.3957
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5401   -0.3701   5.28747   30.4401   -0.1626   26.9984
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8322   -0.2222   3.17480   30.4405   -0.0985   18.1739
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4704  -0.00038   0.00548   30.7071  -0.00018   0.03273
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1336   0.00641   0.09162   30.9723   0.00315   0.58136
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8284   0.14163   2.02329   31.1691   0.07258   10.9563
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3726   0.24737   3.53389   31.4693   0.13432   27.8807
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1290   0.11099   1.58559   31.8038   0.06351   10.5462
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.88239   0.00761   0.10866   31.6097   0.00409   0.96917
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.2542   -0.0042   0.05981   31.6571   -0.0023   0.54114
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.5970   0.01301   0.18590   31.7060   0.00718   1.98638
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   10.9629   -0.0029   0.04127   31.7618   -0.0016   0.38278
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4044   -0.0544   0.77708   31.7962   -0.0306   7.25431
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6322   -0.0422   0.60338   31.7882   -0.0238   4.93533
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8355   -0.0555   0.79347   31.8085   -0.0314   7.45339
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.8646   0.08544   1.22062   30.1559   0.03613   6.66596
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.1008   0.01919   0.27414   30.1760   0.00813   1.50056
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.3633   -0.0333   0.47509   30.1796   -0.0141   2.34280
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.6005   -0.0405   0.57865   30.1749   -0.0172   3.17251
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8082   -0.0382   0.54580   30.1788   -0.0163   2.99936
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0700   -0.0900   1.28533   30.1827   -0.0383   7.95053
 99  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3092   -0.0792   1.13088   30.1697   -0.0337   6.99363
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.5939   -0.1239   1.77010   30.1609   -0.0526   10.9281
<-------------------------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   14.8988   -0.1488   2.12609   30.1352   -0.0630   13.0783
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1381   -0.1281   1.83056   30.1179   -0.0542   11.2536
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.2976   -0.0776   1.10899   30.1220   -0.0330   6.84596
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3549   0.00513   0.07328   30.1561   0.00220   0.40646
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2729   0.04714   0.67339   30.2689   0.02071   3.82038
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0684   0.10164   1.45196   30.4338   0.04610   7.65550
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.7234   -0.3334   4.76328   27.8222   -0.0933   15.4887
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.3542   -0.2042   2.91767   27.7145   -0.0560   9.30563
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.4761   -0.2361   3.37233   27.7471   -0.0652   10.8221
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.5818   -0.2118   3.02535   27.7691   -0.0588   9.76361
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.6519   -0.2119   3.02753   27.8081   -0.0593   9.84912
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5996   -0.0796   1.13724   27.8448   -0.0225   5.34311
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.5726   -0.1126   1.60792   27.9220   -0.0323   8.94003
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.4269   -0.1769   2.52745   28.0446   -0.0519   14.3544
115  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.1697   -0.1397   1.99571   28.1732   -0.0420   11.6216
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.8060   -0.0660   0.94231   28.3269   -0.0204   6.78927
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.3019   0.06814   0.97340   28.5110   0.02193   7.28209
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.7348   0.27516   3.93091   28.6984   0.09223   30.6296
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1876   0.36242   5.17736   28.9274   0.12703   35.1562
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.6026   0.45743   6.53466   29.1775   0.16837   31.0645
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0596   0.39036   5.57654   29.4857   0.15165   31.4767
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.7046   0.10536   1.50510   29.4198   0.03931   13.0553
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0824   0.14759   2.10846   29.5371   0.05695   15.7612

EOSFIT-7.6>fit
     123 data for V will be used in least-squares
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 09:36
 
   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:  16.2800           :Bulk modulus: units are GPa
      Kp:  5.28000           :dK/dP: dimensionless
     Kpp: -0.4181            :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:  2.18000           :Gruneisen parameter at Tref,Pref
       q:  1.52000           :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)?y
           REFINE Kp     (Y/N)?y
     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      1        16.31568          0.03568          0.04191           0.85
 Kp      1         5.25589         -0.02411          0.01566          -1.54
 Kpp     0        -0.41200  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       144.96001  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.16648         -0.01352          0.14432          -0.09
 q       1         1.47386         -0.04614          0.25085          -0.18
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  18.49 (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      1        16.31587          0.00019          0.04081           0.00
 Kp      1         5.25588         -0.00001          0.01514          -0.00
 Kpp     0        -0.41199  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       144.96001  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.16659          0.00012          0.13954           0.00
 q       1         1.47415          0.00028          0.24375           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  17.55 (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      1        16.31587          0.00019          0.04081           0.00
 Kp      1         5.25588         -0.00001          0.01514          -0.00
 Kpp     0        -0.41199  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       144.96001  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.16659          0.00012          0.13954           0.00
 q       1         1.47415          0.00028          0.24375           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  17.55 (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   1.16988   0.02012       INF   39.2320   0.03543   12.2585   373066.03
  2  1    2.01000   0.00000   300.000   0.00000   37.9079   0.00181   2.02429   -0.0143       INF   37.9285   -0.0206   11.3957   634633.62
  3  1    3.35000   0.03000   300.000   0.00000   36.2140   0.00295   3.36738   -0.0174   0.57950   36.2333   -0.0193   6.55681   1102.4685
  4  1    5.11000   0.03000   300.000   0.00000   34.5458   0.00277   5.07976   0.03024   1.00800   34.5199   0.02590   9.35020   1098.3743
  5  1    7.26000   0.04000   300.000   0.00000   32.9524   0.00259   7.19080   0.06920   1.72999   32.9065   0.04598   17.7556   619.14996
  6  1    7.55000   0.00000   300.000   0.00000   32.7455   0.00265   7.50630   0.04370       INF   32.7174   0.02812   10.6131   59285.832
  7  1    9.36000   0.00000   300.000   0.00000   31.6484   0.00235   9.36726   -0.0073       INF   31.6523   -0.0039   1.67051   52970.297
  8  1    11.0200   0.02000   300.000   0.00000   30.7945   0.00157   11.0654   -0.0454   2.26750   30.8158   -0.0213   13.6057   2431.9146
  9  1    13.0600   0.03000   300.000   0.00000   29.9052   0.00211   13.1098   -0.0498   1.65863   29.9254   -0.0201   9.55236   1078.5127
 10  1    14.8600   0.15000   300.000   0.00000   29.2401   0.00307   14.8530   0.00695   0.04635   29.2376   0.00251   0.81603   44.302021
 11  1    16.7500   0.02000   300.000   0.00000   28.6555   0.00253   16.5587   0.19133   9.56659   28.5934   0.06203   24.5249   2173.2310
 12  1    17.6800   0.03000   300.000   0.00000   28.3079   0.00277   17.6580   0.02199   0.73293   28.3011   0.00674   2.43326   1018.9250
 13  1    19.4100   0.00000   300.000   0.00000   27.7659   0.00211   19.5120   -0.1020       INF   27.7944   -0.0285   13.5222   17519.840
 14  1    21.3900   0.03000   300.000   0.00000   27.2654   0.00307   21.3901  -0.00014   0.00451   27.2654  -0.00003   0.01118   956.86487
 15  1    23.0000   0.00000   300.000   0.00000   26.9616   0.00295   22.6152   0.38479       INF   26.8695   0.09207   31.1998   6689.9639
 16  1    25.0200   0.03000   300.000   0.00000   26.3939   0.00205   25.0945   -0.0745   2.48229   26.4101   -0.0162   7.91993   1011.6417
 17  1    26.4700   0.00000   300.000   0.00000   26.0785   0.00211   26.5881   -0.1181       INF   26.1027   -0.0243   11.5197   9482.6504
 18  1    2.43000   0.07000   500.000   30.0000   38.1539   0.00361   2.34773   0.08227   1.17525   38.0310   0.12289   34.0118   96.302071
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.57281   0.08719   1.24562   38.0555   0.13145   31.1836   96.068428
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.77397   0.05603   0.80038   38.1720   0.08611   20.4259   95.873833
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.93855   0.03145   0.44929   38.3390   0.04970   10.3165   95.622047
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.92845   0.03155   0.45065   38.7610   0.05350   9.87119   95.029739
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.94451   0.00549   0.07838   39.2176   0.01001   1.84755   94.494873
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.90659   0.01341   0.19158   39.7549   0.02680   3.70882   93.756012
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.88520   0.00480   0.06863   40.3492   0.01060   1.35362   93.046883
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.06924   -0.0392   0.56052   35.0081   -0.0363   5.48218   100.25166
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.32785   -0.0478   0.68356   34.9956   -0.0443   8.17637   100.21734
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.47746   -0.0775   1.10656   35.1056   -0.0730   15.1623   100.03936
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.57360   -0.0936   1.33707   35.2575   -0.0906   21.4819   99.828392
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.60985   -0.0698   0.99784   35.4342   -0.0698   16.5646   99.503479
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.58332   -0.0233   0.33308   35.6591   -0.0243   5.04698   99.052742
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.51966   0.02034   0.29063   35.9377   0.02234   4.63603   98.599785
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.46351   0.02649   0.37840   36.2659   0.03076   5.67567   98.098701
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.39718   0.04282   0.61170   36.6148   0.05283   8.77258   97.570213
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.31538   0.12462   1.78031   36.9220   0.16352   22.6272   96.952187
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.40332   -0.0633   0.90464   32.5041   -0.0393   5.44446   103.11143
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.34433   -0.0443   0.63331   32.6738   -0.0284   3.93053   102.63852
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.31921   -0.0192   0.27440   32.8231   -0.0126   2.10050   102.67566
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.25789   0.03211   0.45876   32.9837   0.02182   4.02519   102.48830
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.20802   0.04198   0.59967   33.1706   0.02948   6.11987   102.29612
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.16171   0.00830   0.11850   33.3934   0.00604   1.11416   101.86371
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.94644   0.15356   2.19375   33.6181   0.11732   19.4822   101.28024
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.77705   0.20295   2.89933   33.8921   0.16309   20.8316   100.47801
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.63356   0.13644   1.94916   34.2558   0.11613   27.5494   100.69840
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.37292   0.15708   2.24400   34.6715   0.14367   23.8568   99.878365
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.12523   0.16477   2.35390   35.1198   0.16272   12.8671   98.081421
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.89345   0.05655   0.80788   35.7128   0.06113   6.76773   98.286972
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.63917   0.07083   1.01181   36.2542   0.08398   9.96093   97.711365
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.11779   -0.1878   2.68269   34.2231   -0.1522   31.5978   101.72852
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.36773   -0.1877   2.68184   34.2099   -0.1523   28.0968   101.39343
<-------------------------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   6.62260   -0.3026   4.32286   34.2881   -0.2473   51.3360   101.35983
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.87549   -0.3455   4.93554   34.3090   -0.2833   78.3984   101.44180
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.10304   -0.3430   4.90051   34.3134   -0.2823   58.5882   101.20329
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.38091   -0.3509   5.01297   34.2842   -0.2880   68.3298   101.28726
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.67699   -0.2970   4.24265   34.1884   -0.2416   44.5791   101.12903
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.95891   -0.2489   3.55584   34.1100   -0.2012   37.1143   101.15019
 57  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.25082   -0.2108   3.01179   34.0322   -0.1691   35.1087   101.29005
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.18291   0.16709   2.38697   33.9712   0.13642   25.1703   100.86271
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33548   0.39452   5.63594   33.8546   0.32169   66.7731   100.85193
 60  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.45687   0.25313   3.61607   34.0605   0.21212   35.2234   100.53531
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.64898   0.06102   0.87175   34.2577   0.05227   7.89043   100.37836
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.78012   -0.1601   2.28742   34.5427   -0.1418   29.4354   100.53599
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.18762   -0.1476   2.10886   33.3724   -0.1049   21.7786   102.83089
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.42425   -0.1043   1.48929   33.3373   -0.0740   15.3698   102.56152
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.67501   -0.1550   2.21446   33.3599   -0.1104   20.3765   102.28599
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.92266   -0.1427   2.03797   33.3396   -0.1016   21.0937   102.32088
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.15599   -0.1260   1.79982   33.3267   -0.0899   18.6534   102.25037
 68  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.44312   -0.1831   2.61600   33.3282   -0.1305   27.0933   102.24699
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.77254   -0.1825   2.60773   33.2580   -0.1290   26.7702   102.29938
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.11313   -0.1631   2.33041   33.1671   -0.1140   23.6552   102.36669
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.44143   -0.1214   1.73467   33.0702   -0.0839   17.4158   102.43186
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.75009   -0.0901   1.28698   32.9950   -0.0617   12.8162   102.48343
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0476   -0.0275   0.39357   32.9068   -0.0187   3.45369   102.38721
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3123   -0.0123   0.17557   32.8736   -0.0083   1.53716   102.40703
 75  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5575   -0.0875   1.24956   32.9152   -0.0596   9.89378   102.25075
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8418   -0.2318   3.31097   32.9781   -0.1586   13.8605   100.17106
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.6674   -0.1374   1.96250   30.3304   -0.0595   6.17708   102.63306
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1276   -0.2076   2.96501   30.3528   -0.0903   9.99788   102.77294
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5352   -0.3652   5.21766   30.4383   -0.1608   26.6969   105.16259
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8314   -0.2214   3.16317   30.4403   -0.0983   18.1429   105.39181
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4746   -0.0046   0.06595   30.7091   -0.0022   0.39942   104.95753
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1403  -0.00030   0.00422   30.9756  -0.00015   0.02815   104.65659
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8373   0.13274   1.89626   31.1736   0.06811   10.2817   103.76128
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3835   0.23650   3.37850   31.4751   0.12854   26.6799   104.14542
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1414   0.09855   1.40787   31.8109   0.05643   9.37024   103.38451
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.87698   0.01302   0.18598   31.6068   0.00701   1.66325   105.26217
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.2519   -0.0019   0.02666   31.6558   -0.0010   0.24161   104.69875
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.5978   0.01223   0.17478   31.7064   0.00675   1.86866   104.57637
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   10.9667   -0.0067   0.09529   31.7639   -0.0037   0.88592   104.24208
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4111   -0.0611   0.87234   31.8000   -0.0344   8.15380   104.17512
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6403   -0.0503   0.71918   31.7928   -0.0284   5.88867   103.97121
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8451   -0.0651   0.92998   31.8139   -0.0369   8.74426   104.12459
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.8516   0.09841   1.40585   30.1503   0.04172   7.69671   106.43787
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.0897   0.03031   0.43298   30.1713   0.01288   2.37612   106.09946
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.3539   -0.0239   0.34188   30.1757   -0.0102   1.68972   105.48142
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.5931   -0.0330   0.47214   30.1717   -0.0141   2.59396   105.77737
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8027   -0.0327   0.46710   30.1764   -0.0139   2.57320   105.67950
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0663   -0.0863   1.23273   30.1812   -0.0368   7.63975   106.01633
 99  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3074   -0.0774   1.10523   30.1690   -0.0330   6.84834   105.97626
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.5939   -0.1239   1.77016   30.1611   -0.0528   10.9515   105.96526
<-------------------------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   14.9006   -0.1506   2.15157   30.1360   -0.0639   13.2612   105.97840
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1418   -0.1318   1.88340   30.1196   -0.0559   11.6000   105.96655
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.3034   -0.0834   1.19118   30.1245   -0.0355   7.36816   105.92657
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3628   -0.0028   0.04020   30.1595   -0.0012   0.22347   105.46536
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2831   0.03687   0.52674   30.2733   0.01622   2.99268   105.33067
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0810   0.08904   1.27197   30.4394   0.04045   6.71610   104.77075
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.6939   -0.3039   4.34121   27.8142   -0.0853   14.1575   106.23138
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.3158   -0.1658   2.36852   27.7041   -0.0456   7.57664   107.00190
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.4406   -0.2006   2.86563   27.7375   -0.0555   9.22296   106.61505
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.5493   -0.1793   2.56198   27.7602   -0.0499   8.29275   106.38571
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.6226   -0.1826   2.60923   27.8001   -0.0513   8.51287   106.24217
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5739   -0.0539   0.76981   27.8376   -0.0153   3.62783   108.80408
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.5503   -0.0903   1.28953   27.9157   -0.0260   7.19066   109.35873
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.4084   -0.1584   2.26301   28.0393   -0.0466   12.8885   109.19233
115  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.1552   -0.1252   1.78907   28.1690   -0.0377   10.4466   109.00498
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.7957   -0.0557   0.79626   28.3238   -0.0173   5.75042   109.26897
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.2961   0.07390   1.05566   28.5091   0.02384   7.91807   108.94678
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.7335   0.27653   3.95042   28.6977   0.09291   30.8564   108.59066
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1903   0.35971   5.13867   28.9281   0.12637   34.9730   107.85493
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.6091   0.45086   6.44084   29.1796   0.16631   30.6848   106.15351
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0697   0.38033   5.43335   29.4893   0.14804   30.7276   106.36195
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.6862   0.12383   1.76893   29.4128   0.04632   15.3826   108.80678
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0818   0.14824   2.11770   29.5367   0.05732   15.8636   107.24114

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 123 DATA:
      CHI^2 (WEIGHTED)=  17.5496
      MAXIMUM DELTA-PRESSURE= 0.451


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      K0        Kp        Gamm0     q
    K0   :     100.0     -95.3      -5.4      -2.1
    Kp   :     -95.3     100.0       6.7       4.9
    Gamm0:      -5.4       6.7     100.0      94.9
    q    :      -2.1       4.9      94.9     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     K0        Kp        Gamm0     q
    K0   :   0.00167  -0.00059  -0.00031  -0.00021
    Kp   :  -0.00059   0.00023   0.00014   0.00018
    Gamm0:  -0.00031   0.00014   0.01947   0.03227
    q    :  -0.00021   0.00018   0.03227   0.05941

*****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 09:36
 
   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:  16.32(4)          :Bulk modulus: units are GPa
      Kp:  5.256(15)         :dK/dP: dimensionless
     Kpp: -0.4120            :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)?y
           REFINE Kp     (Y/N)?y
     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      1        16.31590          0.00003          0.04081           0.00
 Kp      1         5.25587         -0.00001          0.01514          -0.00
 Kpp     0        -0.41199  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       144.96001  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.16658         -0.00001          0.13955          -0.00
 q       1         1.47412         -0.00003          0.24376          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  17.55 (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      1        16.31590          0.00003          0.04081           0.00
 Kp      1         5.25587         -0.00001          0.01514          -0.00
 Kpp     0        -0.41199  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       144.96001  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.16658         -0.00001          0.13955          -0.00
 q       1         1.47412         -0.00003          0.24376          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  17.55 (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   1.16988   0.02012       INF   39.2320   0.03543   12.2558   373066.03
  2  1    2.01000   0.00000   300.000   0.00000   37.9079   0.00181   2.02429   -0.0143       INF   37.9285   -0.0206   11.3978   634633.62
  3  1    3.35000   0.03000   300.000   0.00000   36.2140   0.00295   3.36739   -0.0174   0.57956   36.2333   -0.0194   6.55810   1102.4669
  4  1    5.11000   0.03000   300.000   0.00000   34.5458   0.00277   5.07976   0.03024   1.00795   34.5199   0.02591   9.35158   1098.3706
  5  1    7.26000   0.04000   300.000   0.00000   32.9524   0.00259   7.19080   0.06920   1.73000   32.9065   0.04598   17.7556   619.14996
  6  1    7.55000   0.00000   300.000   0.00000   32.7455   0.00265   7.50630   0.04370       INF   32.7174   0.02812   10.6131   59299.602
  7  1    9.36000   0.00000   300.000   0.00000   31.6484   0.00235   9.36726   -0.0073       INF   31.6523   -0.0039   1.66888   52947.051
  8  1    11.0200   0.02000   300.000   0.00000   30.7945   0.00157   11.0653   -0.0453   2.26717   30.8158   -0.0213   13.6020   2431.8389
  9  1    13.0600   0.03000   300.000   0.00000   29.9052   0.00211   13.1097   -0.0497   1.65831   29.9254   -0.0201   9.55055   1078.5359
 10  1    14.8600   0.15000   300.000   0.00000   29.2401   0.00307   14.8530   0.00697   0.04644   29.2376   0.00251   0.81851   44.301991
 11  1    16.7500   0.02000   300.000   0.00000   28.6555   0.00253   16.5587   0.19135   9.56745   28.5934   0.06204   24.5279   2173.3708
 12  1    17.6800   0.03000   300.000   0.00000   28.3079   0.00277   17.6580   0.02201   0.73357   28.3011   0.00675   2.43532   1018.9250
 13  1    19.4100   0.00000   300.000   0.00000   27.7659   0.00211   19.5120   -0.1020       INF   27.7944   -0.0285   13.5177   17528.689
 14  1    21.3900   0.03000   300.000   0.00000   27.2654   0.00307   21.3901  -0.00011   0.00369   27.2654  -0.00003   0.01056   956.86487
 15  1    23.0000   0.00000   300.000   0.00000   26.9616   0.00295   22.6152   0.38482       INF   26.8695   0.09207   31.2017   6689.9639
 16  1    25.0200   0.03000   300.000   0.00000   26.3939   0.00205   25.0944   -0.0744   2.48114   26.4101   -0.0162   7.91807   1011.6417
 17  1    26.4700   0.00000   300.000   0.00000   26.0785   0.00211   26.5880   -0.1180       INF   26.1027   -0.0243   11.5151   9486.1738
 18  1    2.43000   0.07000   500.000   30.0000   38.1539   0.00361   2.34773   0.08227   1.17524   38.0310   0.12289   34.0118   96.299126
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.57281   0.08719   1.24563   38.0555   0.13146   31.1845   96.065468
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.77397   0.05603   0.80040   38.1720   0.08611   20.4259   95.871216
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.93855   0.03145   0.44932   38.3390   0.04971   10.3172   95.618790
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.92845   0.03155   0.45071   38.7610   0.05351   9.87260   95.025871
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.94451   0.00549   0.07846   39.2176   0.01002   1.84896   94.491638
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.90658   0.01342   0.19168   39.7548   0.02681   3.71041   93.751892
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.88519   0.00481   0.06877   40.3492   0.01062   1.35606   93.043091
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.06924   -0.0392   0.56053   35.0081   -0.0363   5.48218   100.25159
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.32785   -0.0479   0.68357   34.9956   -0.0443   8.17708   100.21665
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.47746   -0.0775   1.10656   35.1056   -0.0730   15.1623   100.03932
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.57360   -0.0936   1.33709   35.2575   -0.0906   21.4819   99.828392
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.60985   -0.0698   0.99784   35.4342   -0.0698   16.5637   99.502205
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.58332   -0.0233   0.33309   35.6591   -0.0243   5.04698   99.050766
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.51966   0.02034   0.29064   35.9377   0.02233   4.63524   98.598358
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.46351   0.02649   0.37842   36.2659   0.03076   5.67567   98.098030
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.39718   0.04282   0.61173   36.6148   0.05283   8.77258   97.567650
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.31537   0.12463   1.78036   36.9220   0.16352   22.6277   96.949760
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.40332   -0.0633   0.90463   32.5041   -0.0393   5.44446   103.11304
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.34433   -0.0443   0.63332   32.6738   -0.0284   3.93000   102.64013
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.31921   -0.0192   0.27440   32.8231   -0.0127   2.10114   102.67843
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.25789   0.03211   0.45874   32.9837   0.02182   4.02519   102.48969
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.20802   0.04198   0.59964   33.1706   0.02948   6.11908   102.29751
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.16171   0.00829   0.11849   33.3934   0.00604   1.11416   101.86510
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.94644   0.15356   2.19373   33.6181   0.11732   19.4816   101.28146
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.77705   0.20295   2.89930   33.8921   0.16308   20.8306   100.47801
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.63356   0.13644   1.94915   34.2558   0.11613   27.5485   100.69840
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.37292   0.15708   2.24400   34.6715   0.14367   23.8568   99.877625
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.12523   0.16477   2.35390   35.1198   0.16272   12.8671   98.081314
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.89345   0.05655   0.80790   35.7128   0.06113   6.76773   98.285721
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.63917   0.07083   1.01185   36.2542   0.08399   9.96183   97.710114
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.11779   -0.1878   2.68271   34.2231   -0.1522   31.5986   101.72852
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.36773   -0.1877   2.68186   34.2099   -0.1523   28.0961   101.39406
<-------------------------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   6.62260   -0.3026   4.32288   34.2881   -0.2473   51.3368   101.36058
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.87549   -0.3455   4.93556   34.3090   -0.2833   78.3994   101.44198
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.10304   -0.3430   4.90052   34.3134   -0.2823   58.5882   101.20323
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.38091   -0.3509   5.01299   34.2842   -0.2880   68.3288   101.28810
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.67699   -0.2970   4.24267   34.1884   -0.2416   44.5791   101.13020
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.95891   -0.2489   3.55587   34.1100   -0.2012   37.1150   101.15150
 57  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.25083   -0.2108   3.01181   34.0322   -0.1691   35.1095   101.29028
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.18291   0.16709   2.38695   33.9712   0.13642   25.1703   100.86271
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33548   0.39452   5.63593   33.8545   0.32170   66.7739   100.85342
 60  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.45687   0.25313   3.61607   34.0605   0.21212   35.2227   100.53654
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.64898   0.06102   0.87174   34.2577   0.05227   7.88985   100.37820
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.78012   -0.1601   2.28743   34.5427   -0.1418   29.4362   100.53451
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.18762   -0.1476   2.10886   33.3724   -0.1049   21.7786   102.83157
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.42425   -0.1043   1.48931   33.3373   -0.0740   15.3690   102.56291
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.67501   -0.1550   2.21447   33.3599   -0.1104   20.3772   102.28667
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.92266   -0.1427   2.03799   33.3396   -0.1016   21.0937   102.32227
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.15599   -0.1260   1.79986   33.3267   -0.0899   18.6534   102.25050
 68  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.44312   -0.1831   2.61602   33.3282   -0.1305   27.0933   102.24839
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.77254   -0.1825   2.60775   33.2580   -0.1290   26.7702   102.30076
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.11313   -0.1631   2.33044   33.1671   -0.1140   23.6552   102.36794
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.44143   -0.1214   1.73471   33.0702   -0.0839   17.4158   102.43200
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.75009   -0.0901   1.28702   32.9950   -0.0617   12.8162   102.48482
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0476   -0.0276   0.39361   32.9068   -0.0187   3.45439   102.38997
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3123   -0.0123   0.17560   32.8736   -0.0083   1.53786   102.40842
 75  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5575   -0.0875   1.24961   32.9152   -0.0596   9.89505   102.25386
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8418   -0.2318   3.31102   32.9781   -0.1586   13.8605   100.17271
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.6674   -0.1374   1.96242   30.3304   -0.0595   6.17649   102.63658
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1275   -0.2075   2.96496   30.3528   -0.0903   9.99725   102.77561
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5352   -0.3652   5.21762   30.4383   -0.1608   26.6972   105.16511
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8314   -0.2214   3.16316   30.4403   -0.0983   18.1426   105.39437
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4746   -0.0046   0.06597   30.7091   -0.0022   0.39942   104.96149
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1403  -0.00030   0.00426   30.9756  -0.00015   0.02710   104.65987
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8373   0.13273   1.89619   31.1736   0.06811   10.2817   103.76268
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3835   0.23649   3.37845   31.4751   0.12853   26.6791   104.14842
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1415   0.09855   1.40780   31.8109   0.05643   9.36992   103.38686
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.87698   0.01302   0.18603   31.6068   0.00701   1.66234   105.26485
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.2519   -0.0019   0.02665   31.6558   -0.0010   0.24207   104.70017
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.5978   0.01223   0.17477   31.7064   0.00675   1.86919   104.57934
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   10.9667   -0.0067   0.09530   31.7639   -0.0037   0.88547   104.24506
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4111   -0.0611   0.87239   31.8000   -0.0344   8.15380   104.17794
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6403   -0.0503   0.71923   31.7928   -0.0284   5.88906   103.97562
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8451   -0.0651   0.93004   31.8139   -0.0369   8.74426   104.12896
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.8516   0.09842   1.40593   30.1503   0.04172   7.69707   106.44098
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.0897   0.03031   0.43305   30.1713   0.01288   2.37612   106.10426
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.3539   -0.0239   0.34180   30.1757   -0.0102   1.68972   105.48534
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.5930   -0.0330   0.47208   30.1717   -0.0141   2.59326   105.78189
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8027   -0.0327   0.46706   30.1764   -0.0139   2.57179   105.68259
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0663   -0.0863   1.23268   30.1812   -0.0368   7.64014   106.02036
 99  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3074   -0.0774   1.10523   30.1690   -0.0330   6.84834   105.97887
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.5939   -0.1239   1.77016   30.1611   -0.0528   10.9511   105.96903
<-------------------------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   14.9006   -0.1506   2.15157   30.1360   -0.0639   13.2612   105.98124
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1418   -0.1318   1.88340   30.1196   -0.0559   11.6008   105.96938
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.3034   -0.0834   1.19121   30.1245   -0.0355   7.36816   105.92941
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3628   -0.0028   0.04029   30.1595   -0.0012   0.22347   105.46926
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2831   0.03687   0.52667   30.2733   0.01622   2.99233   105.33182
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0810   0.08903   1.27187   30.4394   0.04044   6.71547   104.77523
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.6939   -0.3039   4.34099   27.8142   -0.0853   14.1566   106.23691
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.3158   -0.1658   2.36822   27.7041   -0.0456   7.57664   107.00932
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.4406   -0.2006   2.86536   27.7375   -0.0555   9.22233   106.62054
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.5493   -0.1793   2.56173   27.7602   -0.0499   8.29148   106.38845
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.6226   -0.1826   2.60898   27.8001   -0.0513   8.51224   106.24763
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5739   -0.0539   0.76959   27.8376   -0.0153   3.62738   108.80917
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.5503   -0.0903   1.28939   27.9157   -0.0260   7.18960   109.36279
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.4084   -0.1584   2.26282   28.0393   -0.0466   12.8874   109.19704
115  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.1552   -0.1252   1.78893   28.1690   -0.0377   10.4471   109.01025
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.7957   -0.0557   0.79618   28.3238   -0.0173   5.74915   109.27528
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.2961   0.07390   1.05569   28.5091   0.02384   7.91807   108.95348
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.7335   0.27653   3.95045   28.6977   0.09291   30.8570   108.59903
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1903   0.35970   5.13864   28.9280   0.12637   34.9736   107.85827
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.6091   0.45086   6.44082   29.1796   0.16631   30.6852   106.15916
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0697   0.38033   5.43330   29.4893   0.14804   30.7276   106.36765
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.6862   0.12384   1.76908   29.4128   0.04632   15.3839   108.80990
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0818   0.14824   2.11770   29.5367   0.05733   15.8657   107.24403

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 123 DATA:
      CHI^2 (WEIGHTED)=  17.5511
      MAXIMUM DELTA-PRESSURE= 0.451


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      K0        Kp        Gamm0     q
    K0   :     100.0     -95.3      -5.4      -2.1
    Kp   :     -95.3     100.0       6.7       4.9
    Gamm0:      -5.4       6.7     100.0      94.9
    q    :      -2.1       4.9      94.9     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     K0        Kp        Gamm0     q
    K0   :   0.00167  -0.00059  -0.00031  -0.00021
    Kp   :  -0.00059   0.00023   0.00014   0.00018
    Gamm0:  -0.00031   0.00014   0.01947   0.03227
    q    :  -0.00021   0.00018   0.03227   0.05942

*****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-eosfit7c/rbbr/weighted_precise_theta/fitted.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 09:36
 
   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:  16.32(4)          :Bulk modulus: units are GPa
      Kp:  5.256(15)         :dK/dP: dimensionless
     Kpp: -0.4120            :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]
 

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Successfully opened file for eos
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbbr/weighted_precise_theta/fitted.eos


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


EOSFIT-7.6>
***** Macro completed

EOSFIT-7.6>