***********************************************************************************************************************
*                                                                                                                     *
*                                                     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_printed_theta/run.mcr

***** Running macro

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


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


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


Successfully opened data file
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbbr/weighted_printed_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):145.0
    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:  145.000           :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:  145.000           :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:  145.000           :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_printed_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:  145.000           :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_printed_theta/initial.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbbr/weighted_printed_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   2.34660   0.08340   1.19137   38.0292   0.12472   34.5164
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.57222   0.08778   1.25401   38.0544   0.13255   31.4442
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.77400   0.05600   0.79994   38.1718   0.08625   20.4603
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.93935   0.03065   0.43784   38.3402   0.04857   10.0813
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.93076   0.02924   0.41778   38.7647   0.04980   9.18918
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.94858   0.00142   0.02025   39.2250   0.00260   0.48001
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.91314   0.00686   0.09796   39.7679   0.01381   1.91037
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.89471   -0.0047   0.06729   40.3703   -0.0105   1.33901
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.06749   -0.0375   0.53564   35.0065   -0.0347   5.23456
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.32565   -0.0457   0.65216   34.9936   -0.0423   7.79771
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.47479   -0.0748   1.06844   35.1031   -0.0705   14.6365
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.57053   -0.0905   1.29334   35.2545   -0.0876   20.7824
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.60654   -0.0665   0.95052   35.4310   -0.0666   15.7882
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.57999   -0.0200   0.28558   35.6557   -0.0209   4.33197
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.51662   0.02338   0.33400   35.9343   0.02571   5.33599
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.46104   0.02896   0.41365   36.2629   0.03370   6.21762
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.39564   0.04436   0.63378   36.6127   0.05491   9.11781
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.31519   0.12481   1.78300   36.9211   0.16444   22.7555
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.40576   -0.0658   0.93941   32.5056   -0.0408   5.64400
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.34509   -0.0451   0.64414   32.6743   -0.0288   3.99123
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.31847   -0.0185   0.26379   32.8226   -0.0121   2.01689
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.25573   0.03427   0.48956   32.9823   0.02325   4.29054
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.20461   0.04539   0.64838   33.1682   0.03185   6.61000
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.15720   0.01280   0.18291   33.3901   0.00932   1.71945
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.94101   0.15899   2.27126   33.6140   0.12144   20.1657
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.77100   0.20900   2.98574   33.8872   0.16798   21.4567
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.62716   0.14284   2.04054   34.2503   0.12166   28.8607
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.36670   0.16330   2.33293   34.6656   0.14956   24.8355
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.11964   0.17036   2.43365   35.1139   0.16858   13.3304
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.88900   0.06100   0.87139   35.7078   0.06615   7.32263
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.63657   0.07343   1.04895   36.2508   0.08744   10.3709
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.11690   -0.1869   2.67007   34.2222   -0.1514   31.4157
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.36612   -0.1861   2.65892   34.2085   -0.1508   27.8308
<-------------------------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   4.28954   34.2860   -0.2453   50.9068
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.87242   -0.3424   4.89167   34.3063   -0.2806   77.6657
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.09921   -0.3392   4.84591   34.3102   -0.2790   57.9199
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.37633   -0.3463   4.94759   34.2805   -0.2843   67.4339
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.67163   -0.2916   4.16612   34.1841   -0.2373   43.7781
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.95275   -0.2428   3.46787   34.1051   -0.1962   36.2049
 57  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.24384   -0.2038   2.91195   34.0267   -0.1636   33.9574
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.17546   0.17454   2.49349   33.9650   0.14260   26.3105
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.32742   0.40258   5.75108   33.8477   0.32853   68.1928
 60  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.44832   0.26168   3.73829   34.0531   0.21954   36.4560
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.63984   0.07016   1.00227   34.2498   0.06019   9.08591
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.77058   -0.1506   2.15115   34.5345   -0.1336   27.7370
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.18807   -0.1481   2.11528   33.3726   -0.1051   21.8143
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.42373   -0.1037   1.48184   33.3369   -0.0736   15.2724
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.67353   -0.1535   2.19329   33.3587   -0.1093   20.1605
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.92020   -0.1402   2.00291   33.3378   -0.0998   20.7121
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.15255   -0.1225   1.75066   33.3241   -0.0873   18.1292
 68  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.43871   -0.1787   2.55300   33.3250   -0.1273   26.4234
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.76715   -0.1772   2.53072   33.2541   -0.1251   25.9657
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.10672   -0.1567   2.23890   33.1626   -0.1094   22.7161
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.43397   -0.1140   1.62810   33.0650   -0.0787   16.3405
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.74154   -0.0815   1.16487   32.9892   -0.0559   11.5976
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0379   -0.0179   0.25557   32.9003   -0.0122   2.24240
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3015   -0.0015   0.02159   32.8663   -0.0010   0.18863
 75  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5456   -0.0756   1.07967   32.9071   -0.0515   8.54898
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8287   -0.2187   3.12450   32.9692   -0.1497   13.0840
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.6798   -0.1498   2.14024   30.3357   -0.0648   6.72105
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1363   -0.2163   3.08980   30.3564   -0.0939   10.3955
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5401   -0.3701   5.28735   30.4401   -0.1626   26.9971
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8322   -0.2222   3.17466   30.4404   -0.0985   18.1725
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4704  -0.00037   0.00534   30.7071  -0.00017   0.03167
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1336   0.00642   0.09176   30.9723   0.00315   0.58207
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8284   0.14164   2.02342   31.1691   0.07258   10.9572
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3726   0.24738   3.53403   31.4693   0.13432   27.8803
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1290   0.11100   1.58572   31.8038   0.06352   10.5475
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.88239   0.00761   0.10872   31.6097   0.00409   0.97008
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.2542   -0.0042   0.05973   31.6571   -0.0023   0.54024
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.5970   0.01302   0.18601   31.7060   0.00717   1.98532
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   10.9629   -0.0029   0.04114   31.7618   -0.0016   0.38369
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4044   -0.0544   0.77696   31.7962   -0.0306   7.25431
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6322   -0.0422   0.60324   31.7882   -0.0238   4.93335
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8355   -0.0555   0.79335   31.8084   -0.0314   7.45203
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.8646   0.08545   1.22069   30.1559   0.03613   6.66701
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.1008   0.01920   0.27422   30.1760   0.00814   1.50127
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.3632   -0.0332   0.47498   30.1796   -0.0141   2.34185
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.6005   -0.0405   0.57854   30.1749   -0.0172   3.17180
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8082   -0.0382   0.54568   30.1787   -0.0163   2.99866
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0700   -0.0900   1.28520   30.1827   -0.0383   7.94934
 99  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3092   -0.0792   1.13076   30.1697   -0.0337   6.99205
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.5939   -0.1239   1.76997   30.1609   -0.0526   10.9277
<-------------------------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   2.12596   30.1352   -0.0630   13.0775
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1381   -0.1281   1.83041   30.1179   -0.0542   11.2524
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.2976   -0.0776   1.10884   30.1220   -0.0330   6.84557
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3549   0.00514   0.07342   30.1561   0.00220   0.40681
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2729   0.04715   0.67353   30.2689   0.02071   3.82073
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0684   0.10165   1.45209   30.4338   0.04611   7.65614
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.7234   -0.3334   4.76314   27.8222   -0.0933   15.4884
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.3542   -0.2042   2.91759   27.7145   -0.0560   9.30531
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.4761   -0.2361   3.37222   27.7471   -0.0652   10.8215
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.5818   -0.2118   3.02522   27.7691   -0.0588   9.76329
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.6519   -0.2119   3.02740   27.8081   -0.0593   9.84912
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5996   -0.0796   1.13711   27.8448   -0.0225   5.34221
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.5725   -0.1125   1.60779   27.9220   -0.0323   8.93791
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.4269   -0.1769   2.52732   28.0446   -0.0519   14.3539
115  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.1697   -0.1397   1.99555   28.1732   -0.0420   11.6216
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.8060   -0.0660   0.94215   28.3269   -0.0204   6.78800
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.3019   0.06815   0.97354   28.5110   0.02193   7.28462
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.7348   0.27518   3.93107   28.6984   0.09223   30.6303
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1876   0.36243   5.17753   28.9274   0.12703   35.1573
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.6026   0.45744   6.53482   29.1775   0.16838   31.0663
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0596   0.39037   5.57671   29.4857   0.15164   31.4759
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.7046   0.10536   1.50518   29.4198   0.03931   13.0547
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0824   0.14760   2.10863   29.5370   0.05696   15.7633

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:  145.000           :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       145.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.16648         -0.01352          0.14432          -0.09
 q       1         1.47385         -0.04615          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       145.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.16659          0.00011          0.13954           0.00
 q       1         1.47413          0.00028          0.24374           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       145.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.16659          0.00011          0.13954           0.00
 q       1         1.47413          0.00028          0.24374           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   1.17528   38.0310   0.12290   34.0139   96.302078
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.57280   0.08720   1.24566   38.0555   0.13146   31.1854   96.068428
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.77397   0.05603   0.80042   38.1720   0.08611   20.4259   95.874153
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.93855   0.03145   0.44934   38.3390   0.04971   10.3172   95.621414
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.92845   0.03155   0.45070   38.7610   0.05351   9.87260   95.029442
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.94451   0.00549   0.07844   39.2176   0.01002   1.84825   94.495483
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.90659   0.01341   0.19163   39.7549   0.02681   3.70935   93.755707
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.88519   0.00481   0.06870   40.3492   0.01061   1.35557   93.047516
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.06923   -0.0392   0.56049   35.0081   -0.0363   5.48103   100.25233
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.32785   -0.0478   0.68352   34.9956   -0.0443   8.17637   100.21729
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.47746   -0.0775   1.10651   35.1056   -0.0730   15.1607   100.03941
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.57359   -0.0936   1.33703   35.2575   -0.0906   21.4828   99.828438
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.60985   -0.0698   0.99780   35.4342   -0.0698   16.5637   99.503479
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.58331   -0.0233   0.33305   35.6591   -0.0243   5.04698   99.052109
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.51965   0.02035   0.29067   35.9377   0.02234   4.63603   98.599121
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.46351   0.02649   0.37844   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   8.77195   97.569557
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.31538   0.12462   1.78034   36.9220   0.16352   22.6272   96.951576
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.40332   -0.0633   0.90460   32.5041   -0.0393   5.44446   103.11005
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.34433   -0.0443   0.63327   32.6738   -0.0284   3.93000   102.63852
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.31921   -0.0192   0.27436   32.8231   -0.0126   2.10050   102.67585
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.25788   0.03212   0.45880   32.9837   0.02182   4.02519   102.48846
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.20802   0.04198   0.59970   33.1706   0.02948   6.11987   102.29626
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.16170   0.00830   0.11853   33.3934   0.00604   1.11486   101.86371
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.94644   0.15356   2.19377   33.6181   0.11732   19.4822   101.27954
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.77705   0.20295   2.89935   33.8921   0.16309   20.8316   100.47675
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.63356   0.13644   1.94917   34.2558   0.11613   27.5494   100.69904
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.37292   0.15708   2.24401   34.6715   0.14367   23.8568   99.879036
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.12523   0.16477   2.35391   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   0.80788   35.7128   0.06113   6.76773   98.285797
 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   97.711899
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.11779   -0.1878   2.68265   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   2.68180   34.2099   -0.1523   28.0954   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   4.32281   34.2881   -0.2473   51.3368   101.35976
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.87549   -0.3455   4.93550   34.3090   -0.2833   78.3973   101.44116
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.10303   -0.3430   4.90048   34.3134   -0.2823   58.5866   101.20266
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.38091   -0.3509   5.01294   34.2842   -0.2880   68.3279   101.28658
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.67698   -0.2970   4.24262   34.1884   -0.2416   44.5784   101.12959
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.95891   -0.2489   3.55583   34.1100   -0.2012   37.1143   101.15074
 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   101.29017
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.18291   0.16709   2.38698   33.9712   0.13642   25.1703   100.86259
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33548   0.39452   5.63593   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   35.2227   100.53531
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.64898   0.06102   0.87174   34.2577   0.05227   7.89043   100.37699
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.78012   -0.1601   2.28743   34.5427   -0.1418   29.4354   100.53451
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.18762   -0.1476   2.10883   33.3724   -0.1049   21.7779   102.83025
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.42425   -0.1042   1.48925   33.3373   -0.0740   15.3682   102.56215
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.67501   -0.1550   2.21442   33.3599   -0.1104   20.3772   102.28599
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.92266   -0.1427   2.03793   33.3396   -0.1016   21.0937   102.32088
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.15598   -0.1260   1.79979   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   2.61597   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   2.60771   33.2580   -0.1290   26.7702   102.29813
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.11313   -0.1631   2.33040   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   1.73467   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   102.48204
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0476   -0.0276   0.39358   32.9068   -0.0187   3.45439   102.38598
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3123   -0.0123   0.17559   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   1.24959   32.9152   -0.0596   9.89442   102.25092
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8418   -0.2318   3.31101   32.9781   -0.1586   13.8608   100.17005
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.6674   -0.1374   1.96246   30.3304   -0.0595   6.17708   102.63438
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1275   -0.2075   2.96497   30.3528   -0.0903   9.99746   102.77337
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5352   -0.3652   5.21763   30.4383   -0.1608   26.6969   105.16119
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8314   -0.2214   3.16316   30.4403   -0.0983   18.1429   105.39156
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4746   -0.0046   0.06597   30.7091   -0.0022   0.39977   104.95728
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1403  -0.00030   0.00425   30.9756  -0.00015   0.02851   104.65659
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8373   0.13274   1.89622   31.1736   0.06811   10.2817   103.75990
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3835   0.23649   3.37846   31.4751   0.12854   26.6799   104.14524
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1415   0.09855   1.40783   31.8109   0.05643   9.37024   103.38290
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.87698   0.01302   0.18602   31.6068   0.00701   1.66279   105.26217
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.2519   -0.0019   0.02662   31.6558   -0.0010   0.24161   104.69875
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.5978   0.01224   0.17481   31.7064   0.00676   1.87025   104.57637
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   10.9667   -0.0067   0.09527   31.7639   -0.0037   0.88547   104.24225
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4111   -0.0611   0.87235   31.8000   -0.0344   8.15335   104.17512
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6403   -0.0503   0.71919   31.7928   -0.0284   5.88867   103.97262
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8451   -0.0651   0.93001   31.8139   -0.0369   8.74426   104.12599
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.8516   0.09841   1.40589   30.1503   0.04172   7.69671   106.43814
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.0897   0.03031   0.43302   30.1713   0.01288   2.37683   106.09830
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.3539   -0.0239   0.34184   30.1757   -0.0102   1.68908   105.48113
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.5930   -0.0330   0.47210   30.1717   -0.0141   2.59361   105.77737
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8027   -0.0327   0.46707   30.1764   -0.0139   2.57249   105.67950
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0663   -0.0863   1.23271   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   10.9511   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   2.15160   30.1360   -0.0639   13.2612   105.97723
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1418   -0.1318   1.88342   30.1196   -0.0559   11.6004   105.96560
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.3034   -0.0834   1.19122   30.1245   -0.0355   7.36855   105.92397
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3628   -0.0028   0.04026   30.1595   -0.0012   0.22417   105.46536
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2831   0.03687   0.52667   30.2733   0.01622   2.99197   105.32925
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0810   0.08903   1.27189   30.4394   0.04044   6.71515   104.77047
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.6939   -0.3039   4.34118   27.8142   -0.0853   14.1575   106.22957
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.3158   -0.1658   2.36846   27.7041   -0.0456   7.57696   107.00465
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.4406   -0.2006   2.86557   27.7375   -0.0555   9.22265   106.61411
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.5493   -0.1793   2.56195   27.7602   -0.0499   8.29243   106.38391
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.6226   -0.1826   2.60917   27.8001   -0.0513   8.51256   106.24217
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5739   -0.0539   0.76978   27.8376   -0.0153   3.62738   108.80408
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.5503   -0.0903   1.28950   27.9157   -0.0260   7.19066   109.35638
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   109.18998
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   109.00206
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.7957   -0.0557   0.79629   28.3238   -0.0173   5.75042   109.26897
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.2961   0.07389   1.05561   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   3.95036   28.6977   0.09291   30.8558   108.59066
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1903   0.35970   5.13862   28.9281   0.12637   34.9730   107.85246
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.6091   0.45085   6.44076   29.1796   0.16631   30.6848   106.15289
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0697   0.38033   5.43327   29.4893   0.14803   30.7269   106.35912
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.6862   0.12383   1.76897   29.4128   0.04632   15.3839   108.80531
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0818   0.14824   2.11767   29.5367   0.05732   15.8636   107.24114

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 123 DATA:
      CHI^2 (WEIGHTED)=  17.5495
      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:  145.000           :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       145.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.16658         -0.00002          0.13955          -0.00
 q       1         1.47409         -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       145.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.16658         -0.00002          0.13955          -0.00
 q       1         1.47409         -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   1.17528   38.0310   0.12290   34.0139   96.299782
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.57280   0.08720   1.24568   38.0555   0.13146   31.1854   96.065491
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.77397   0.05603   0.80045   38.1719   0.08611   20.4277   95.871216
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.93854   0.03146   0.44939   38.3390   0.04971   10.3180   95.619133
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.92845   0.03155   0.45078   38.7610   0.05352   9.87471   95.025871
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.94450   0.00550   0.07854   39.2176   0.01004   1.85177   94.491310
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.90658   0.01342   0.19178   39.7548   0.02683   3.71305   93.751877
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.88518   0.00482   0.06888   40.3492   0.01063   1.35752   93.042786
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.06923   -0.0392   0.56049   35.0081   -0.0363   5.48161   100.25226
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.32785   -0.0478   0.68353   34.9956   -0.0443   8.17637   100.21665
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.47746   -0.0775   1.10651   35.1056   -0.0730   15.1607   100.03932
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.57359   -0.0936   1.33703   35.2575   -0.0906   21.4819   99.828438
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.60985   -0.0698   0.99780   35.4342   -0.0698   16.5637   99.502884
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.58331   -0.0233   0.33304   35.6591   -0.0243   5.04698   99.050804
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.51965   0.02035   0.29069   35.9377   0.02234   4.63682   98.597733
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.46351   0.02649   0.37848   36.2659   0.03077   5.67708   98.096794
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.39717   0.04283   0.61180   36.6148   0.05283   8.77322   97.568260
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.31537   0.12463   1.78043   36.9220   0.16353   22.6288   96.949654
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.40332   -0.0633   0.90460   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   0.63328   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   0.27436   32.8231   -0.0127   2.10114   102.67843
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.25788   0.03211   0.45879   32.9837   0.02182   4.02519   102.48846
 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   102.29751
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.16170   0.00830   0.11851   33.3934   0.00604   1.11486   101.86510
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.94644   0.15356   2.19376   33.6181   0.11733   19.4829   101.28069
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.77705   0.20295   2.89933   33.8921   0.16308   20.8311   100.47734
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.63356   0.13644   1.94917   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   2.24402   34.6715   0.14367   23.8575   99.877007
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.12522   0.16478   2.35393   35.1198   0.16272   12.8671   98.080536
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.89344   0.05656   0.80794   35.7128   0.06113   6.76773   98.285057
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.63917   0.07083   1.01190   36.2542   0.08399   9.96183   97.710052
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.11779   -0.1878   2.68267   34.2231   -0.1522   31.5971   101.72921
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.36773   -0.1877   2.68181   34.2099   -0.1523   28.0961   101.39412
<-------------------------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   4.32284   34.2881   -0.2473   51.3360   101.36064
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.87549   -0.3455   4.93552   34.3090   -0.2833   78.3984   101.44198
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.10303   -0.3430   4.90048   34.3134   -0.2823   58.5874   101.20323
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.38091   -0.3509   5.01296   34.2842   -0.2880   68.3279   101.28730
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.67698   -0.2970   4.24264   34.1884   -0.2416   44.5791   101.12952
 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   101.15137
 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   101.29028
 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   100.86147
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33548   0.39452   5.63594   33.8545   0.32170   66.7739   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   35.2227   100.53531
 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   100.37699
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.78012   -0.1601   2.28743   34.5427   -0.1418   29.4354   100.53461
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.18762   -0.1476   2.10882   33.3724   -0.1049   21.7786   102.83152
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.42425   -0.1042   1.48926   33.3373   -0.0740   15.3682   102.56284
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.67501   -0.1550   2.21442   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   2.03795   33.3396   -0.1016   21.0929   102.32227
 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   102.25050
 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   102.24839
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.77254   -0.1825   2.60773   33.2580   -0.1290   26.7694   102.30062
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.11313   -0.1631   2.33043   33.1671   -0.1140   23.6560   102.36794
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.44143   -0.1214   1.73469   33.0702   -0.0839   17.4150   102.43200
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.75009   -0.0901   1.28701   32.9950   -0.0617   12.8162   102.48343
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0476   -0.0276   0.39361   32.9068   -0.0187   3.45439   102.38875
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3123   -0.0123   0.17563   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   1.24965   32.9152   -0.0596   9.89442   102.25127
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8418   -0.2318   3.31106   32.9781   -0.1586   13.8608   100.17138
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.6674   -0.1374   1.96238   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   2.96492   30.3528   -0.0903   9.99704   102.77561
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5352   -0.3652   5.21759   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   105.39296
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4746   -0.0046   0.06598   30.7091   -0.0022   0.39942   104.96035
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1403  -0.00030   0.00429   30.9756  -0.00015   0.02745   104.65964
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8373   0.13273   1.89616   31.1736   0.06810   10.2808   103.76406
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3835   0.23649   3.37840   31.4751   0.12853   26.6791   104.14842
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1415   0.09854   1.40776   31.8109   0.05643   9.36992   103.38569
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.87698   0.01303   0.18608   31.6068   0.00701   1.66279   105.26502
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.2519   -0.0019   0.02661   31.6558   -0.0010   0.24161   104.70017
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.5978   0.01224   0.17479   31.7064   0.00676   1.86972   104.57934
 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   104.24506
 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   5.88867   103.97421
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8451   -0.0651   0.93006   31.8139   -0.0369   8.74471   104.12756
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.8516   0.09842   1.40597   30.1503   0.04172   7.69707   106.44241
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.0897   0.03032   0.43310   30.1713   0.01288   2.37683   106.10426
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.3539   -0.0239   0.34176   30.1757   -0.0102   1.68972   105.48364
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.5930   -0.0330   0.47206   30.1717   -0.0141   2.59290   105.78047
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8027   -0.0327   0.46703   30.1764   -0.0139   2.57144   105.68259
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0663   -0.0863   1.23266   30.1812   -0.0368   7.64014   106.01917
 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   105.98003
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.5939   -0.1239   1.77017   30.1611   -0.0528   10.9511   105.96785
<-------------------------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   2.15160   30.1361   -0.0639   13.2616   105.98242
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1418   -0.1318   1.88344   30.1196   -0.0559   11.6004   105.96938
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.3034   -0.0834   1.19126   30.1245   -0.0355   7.36855   105.92799
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3628   -0.0028   0.04034   30.1595   -0.0012   0.22452   105.46926
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2831   0.03686   0.52661   30.2733   0.01621   2.99162   105.33322
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0810   0.08903   1.27179   30.4394   0.04044   6.71484   104.77354
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.6939   -0.3039   4.34096   27.8142   -0.0852   14.1559   106.23597
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.3158   -0.1658   2.36816   27.7041   -0.0456   7.57632   107.00932
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.4406   -0.2006   2.86530   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   2.56171   27.7602   -0.0499   8.29148   106.39027
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.6226   -0.1826   2.60895   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   3.62647   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   7.18908   109.36337
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.4084   -0.1584   2.26285   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   109.00735
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.7957   -0.0557   0.79621   28.3238   -0.0173   5.74915   109.27190
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.2961   0.07389   1.05564   28.5091   0.02384   7.91807   108.95643
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.7335   0.27653   3.95039   28.6977   0.09291   30.8558   108.59943
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1903   0.35970   5.13856   28.9281   0.12637   34.9730   107.85827
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.6091   0.45085   6.44071   29.1796   0.16630   30.6837   106.15916
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0697   0.38033   5.43322   29.4893   0.14803   30.7265   106.36480
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.6862   0.12384   1.76912   29.4128   0.04633   15.3851   108.80990
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0818   0.14824   2.11767   29.5367   0.05732   15.8641   107.24403

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 123 DATA:
      CHI^2 (WEIGHTED)=  17.5510
      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_printed_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:  145.000           :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_printed_theta/fitted.eos


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


EOSFIT-7.6>
***** Macro completed

EOSFIT-7.6>