***********************************************************************************************************************
*                                                                                                                     *
*                                                     EOSFIT7c                                                        *
*                                                                                                                     *
*             Authors: RJ ANGEL, J GONZALEZ-PLATAS, M ALVARO, ML MAZZUCCHELLI                                         *
*        Version date: 13-May-2021                                                                                    *
*             Version:  7.60                                                                                          *
*                                                                                                                     *
*                                                                                                                     *
*        INCLUDING LEAST SQUARES BY I.G. WOOD & J. PIPER AND USING THE CrysFML EOS MODULE.                            *
*                                                                                                                     *
*        EosFit7c: Angel, Gonzalez-Platas, Alvaro (2014) Zeitschrift fuer Kristallographie, 229:405-419.              *
*        Phase Transitions: Angel et al (2017) Contribs Min Pet, DOI:10.1007/s00410-017-1349-x                        *
*        Fitting Moduli: Milani et al. (2017) Amer Min, DOI:10.2138/am-2017-5855                                      *
*                                                                                                                     *
*        Development currently supported by ERC grant 714936, TrueDepths to M. Alvaro, and                            *
*                          Agencia Estatal de Investigacion under                                                     *
*        National Program of Sciences and Technological Materials (PID2019-106383GB-C44) to J. Gonzalez-Platas        *
*        For more information see the help system                                                                     *
*                                                                                                                     *
*                                                                                                                     *
*        Current date and time: 16-OCT-2026 10:33                                                                     *
*                                                                                                                     *
***********************************************************************************************************************

EOSFIT-7.6>

Successfully opened file for macros
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/unweighted_printed_theta/run.mcr

***** Running macro

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


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


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


Successfully opened data file
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/unweighted_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):41.55
          VALUE OF K0    (    10.000):17.55
          VALUE OF Kp    (     4.000):4.98
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.5500           :Reference pressure volume: units as volume data
      K0:  17.5500           :Bulk modulus: same units as pressure data
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :d2K/dP2: inverse pressure units [IMPLIED VALUE]
 
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

INPUT EOS>th

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

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

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


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

    Reference temperature ( 298.0K):300

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

    Reference pressure volume: units as volume data:
                    VALUE OF V0    (    41.550):41.55
    Debye temperature in K:
                    VALUE OF ThMGD (   298.000):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):2.11
    Gruneisen power law in V/V0:
                    VALUE OF q     (     0.000):1.5

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

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

 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.5500           :Reference pressure volume: units as volume data
      K0:  17.5500           :Bulk modulus: same units as pressure data
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :d2K/dP2: inverse pressure units [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  145.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.11000           :Gruneisen parameter at Tref,Pref
       q:  1.50000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

INPUT EOS>pscale

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

     No pressure scale name has been set

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

     The pressure scale name is: GPa

 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Pscale: GPa
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.5500           :Reference pressure volume: units as volume data
      K0:  17.5500           :Bulk modulus: units are GPa
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  145.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.11000           :Gruneisen parameter at Tref,Pref
       q:  1.50000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

INPUT EOS>vscale

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

     No volume/linear scale name has been set

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

     The volume scale name is: cm^3/mol

 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.5500           :Reference pressure volume: units are cm^3/mol
      K0:  17.5500           :Bulk modulus: units are GPa
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  145.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.11000           :Gruneisen parameter at Tref,Pref
       q:  1.50000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

INPUT EOS>x

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


EOSFIT-7.6>save /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/unweighted_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:  41.5500           :Reference pressure volume: units are cm^3/mol
      K0:  17.5500           :Bulk modulus: units are GPa
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  145.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.11000           :Gruneisen parameter at Tref,Pref
       q:  1.50000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

      Do you want to save this EoS to file (Y/N) <Y>?y


Successfully opened file for eos
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/unweighted_printed_theta/initial.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/unweighted_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   1.14164   0.04836       INF   39.1856   0.08188   28.3256
  2  1    2.01000   0.00000   300.000   0.00000   37.9079   0.00181   2.02423   -0.0142       INF   37.9278   -0.0199   11.0198
  3  1    3.35000   0.03000   300.000   0.00000   36.2140   0.00295   3.40074   -0.0507   1.69121   36.2694   -0.0555   18.7952
  4  1    5.11000   0.03000   300.000   0.00000   34.5458   0.00277   5.14130   -0.0313   1.04330   34.5724   -0.0266   9.59394
  5  1    7.26000   0.04000   300.000   0.00000   32.9524   0.00259   7.27062   -0.0106   0.26546   32.9595   -0.0070   2.72234
  6  1    7.55000   0.00000   300.000   0.00000   32.7455   0.00265   7.58757   -0.0376       INF   32.7697   -0.0242   9.12737
  7  1    9.36000   0.00000   300.000   0.00000   31.6484   0.00235   9.45139   -0.0914       INF   31.6980   -0.0496   21.1124
  8  1    11.0200   0.02000   300.000   0.00000   30.7945   0.00157   11.1446   -0.1246   6.23069   30.8535   -0.0590   37.6766
  9  1    13.0600   0.03000   300.000   0.00000   29.9052   0.00211   13.1752   -0.1152   3.83972   29.9523   -0.0471   22.3570
 10  1    14.8600   0.15000   300.000   0.00000   29.2401   0.00307   14.9007   -0.0407   0.27140   29.2550   -0.0149   4.84337
 11  1    16.7500   0.02000   300.000   0.00000   28.6555   0.00253   16.5843   0.16572   8.28600   28.6009   0.05454   21.5643
 12  1    17.6800   0.03000   300.000   0.00000   28.3079   0.00277   17.6672   0.01281   0.42712   28.3039   0.00399   1.44040
 13  1    19.4100   0.00000   300.000   0.00000   27.7659   0.00211   19.4898   -0.0798       INF   27.7886   -0.0227   10.7713
 14  1    21.3900   0.03000   300.000   0.00000   27.2654   0.00307   21.3320   0.05801   1.93380   27.2503   0.01507   4.90796
 15  1    23.0000   0.00000   300.000   0.00000   26.9616   0.00295   22.5314   0.46856       INF   26.8472   0.11436   38.7565
 16  1    25.0200   0.03000   300.000   0.00000   26.3939   0.00205   24.9542   0.06579   2.19294   26.3793   0.01464   7.14862
 17  1    26.4700   0.00000   300.000   0.00000   26.0785   0.00211   26.4110   0.05904       INF   26.0660   0.01241   5.88833
 18  1    2.43000   0.07000   500.000   30.0000   38.1539   0.00361   2.33208   0.09792   1.39892   38.0121   0.14176   39.2324
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.55115   0.10885   1.55501   38.0281   0.15890   37.6936
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.74553   0.08447   1.20666   38.1325   0.12552   29.7765
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.90212   0.06788   0.96971   38.2852   0.10352   21.4873
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.87807   0.08193   1.17041   38.6810   0.13353   24.6361
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.88048   0.06952   0.99317   39.1063   0.12130   22.3803
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.82615   0.09385   1.34077   39.6034   0.17826   24.6674
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.78802   0.10198   1.45692   40.1476   0.21220   27.1046
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.11322   -0.0832   1.18886   35.0479   -0.0761   11.4947
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.36656   -0.0866   1.23657   35.0305   -0.0792   14.6171
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.50926   -0.1093   1.56087   35.1343   -0.1017   21.1167
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.59762   -0.1176   1.68033   35.2791   -0.1122   26.6237
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.62503   -0.0850   1.21471   35.4481   -0.0837   19.8585
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.58835   -0.0284   0.40501   35.6639   -0.0291   6.03278
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.51348   0.02652   0.37885   35.9315   0.02855   5.92588
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.44578   0.04422   0.63165   36.2464   0.05021   9.26449
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.36715   0.07285   1.04068   36.5800   0.08765   14.5547
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.27205   0.16795   2.39923   36.8713   0.21423   29.6447
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.47478   -0.1348   1.92545   32.5486   -0.0838   11.5952
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.40909   -0.1091   1.55847   32.7153   -0.0699   9.66690
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.37715   -0.0771   1.10212   32.8612   -0.0507   8.42546
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.30863   -0.0186   0.26623   33.0182   -0.0126   2.33038
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.25139   -0.0014   0.01988   33.2010  -0.00097   0.20112
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.19748   -0.0275   0.39251   33.4193   -0.0199   3.67398
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.97297   0.12703   1.81469   33.6390   0.09642   16.0116
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.79412   0.18588   2.65550   33.9071   0.14813   18.9215
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.64086   0.12914   1.84480   34.2632   0.10878   25.8039
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.36835   0.16165   2.30933   34.6693   0.14591   24.2293
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.10789   0.18211   2.60161   35.1056   0.17693   13.9907
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.86249   0.08751   1.25008   35.6812   0.09269   10.2614
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.59294   0.11706   1.67222   36.2028   0.13543   16.0633
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.17476   -0.2448   3.49653   34.2679   -0.1970   40.8889
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.41918   -0.2392   3.41687   34.2502   -0.1926   35.5342
<-------------------------Observed Values---------------------------><----------------Calculated Values ----------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd
              GPA                                  CM^3/MOL               GPa                       cm^3/mol
 51  1    6.32000   0.07000   700.000   30.0000   34.0408   0.00482   6.66857   -0.3486   4.97954   34.3234   -0.2827   58.6705
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.91591   -0.3859   5.51302   34.3395   -0.3138   86.8570
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.13766   -0.3777   5.39513   34.3392   -0.3081   63.9519
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.41020   -0.3802   5.43150   34.3056   -0.3094   73.3937
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.70112   -0.3211   4.58738   34.2058   -0.2590   47.7885
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.97771   -0.2677   3.82448   34.1234   -0.2145   39.5777
 57  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.26438   -0.2244   3.20546   34.0416   -0.1785   37.0486
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.18783   0.16217   2.31669   33.9764   0.13118   24.2039
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33381   0.39619   5.65989   33.8562   0.32004   66.4302
 60  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.44825   0.26175   3.73928   34.0556   0.21704   36.0405
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.63413   0.07587   1.08384   34.2457   0.06424   9.69690
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.75837   -0.1384   1.97676   34.5218   -0.1209   25.1034
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.25351   -0.2135   3.05008   33.4188   -0.1513   31.3999
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.48443   -0.1644   2.34901   33.3797   -0.1164   24.1612
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.72955   -0.2095   2.99356   33.3982   -0.1488   27.4486
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.97150   -0.1915   2.73572   33.3739   -0.1359   28.2105
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.19904   -0.1690   2.41485   33.3569   -0.1201   24.9277
 68  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.48068   -0.2207   3.15263   33.3543   -0.1566   32.5148
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.80483   -0.2148   3.06906   33.2802   -0.1512   31.3761
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.14016   -0.1902   2.71661   33.1854   -0.1323   27.4678
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.46310   -0.1431   2.04431   33.0848   -0.0985   20.4460
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.76626   -0.1063   1.51805   33.0058   -0.0726   15.0594
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0581   -0.0381   0.54490   32.9139   -0.0258   4.76421
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3172   -0.0172   0.24503   32.8768   -0.0116   2.13682
 75  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5565   -0.0865   1.23583   32.9143   -0.0587   9.74366
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8351   -0.2251   3.21613   32.9728   -0.1534   13.4027
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.7281   -0.1981   2.83037   30.3575   -0.0866   8.99176
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1762   -0.2562   3.65985   30.3749   -0.1125   12.4508
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5720   -0.4020   5.74323   30.4560   -0.1785   29.6354
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8571   -0.2471   3.53053   30.4526   -0.1106   20.4114
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4933   -0.0233   0.33261   30.7179   -0.0110   2.03195
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1557   -0.0157   0.22439   30.9833   -0.0078   1.43511
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8487   0.12132   1.73315   31.1792   0.06249   9.43402
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3906   0.22939   3.27703   31.4786   0.12496   25.9376
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1431   0.09690   1.38424   31.8118   0.05552   9.21980
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.94959   -0.0596   0.85133   31.6461   -0.0322   7.64885
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.3128   -0.0628   0.89690   31.6891   -0.0343   8.14520
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.6469   -0.0369   0.52723   31.7336   -0.0204   5.65508
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   11.0040   -0.0440   0.62851   31.7848   -0.0246   5.84534
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4365   -0.0865   1.23519   31.8143   -0.0488   11.5672
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6598   -0.0698   0.99685   31.8038   -0.0394   8.17659
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8586   -0.0786   1.12247   31.8216   -0.0446   10.5695
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.9110   0.03900   0.55719   30.1753   0.01670   3.08030
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.1430   -0.0230   0.32858   30.1940   -0.0099   1.82116
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.4009   -0.0709   1.01252   30.1959   -0.0304   5.05173
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.6338   -0.0738   1.05448   30.1894   -0.0317   5.84670
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8375   -0.0675   0.96414   30.1915   -0.0290   5.35648
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0947   -0.1147   1.63807   30.1938   -0.0493   10.2420
 99  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3295   -0.0995   1.42136   30.1788   -0.0428   8.88407
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.6094   -0.1394   1.99144   30.1682   -0.0599   12.4270
<-------------------------Observed Values---------------------------><----------------Calculated Values ----------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd
              GPA                                  CM^3/MOL               GPa                       cm^3/mol
101  1    14.7500   0.07000   1300.00   30.0000   30.0722   0.00482   14.9093   -0.1593   2.27559   30.1403   -0.0682   14.1476
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1442   -0.1342   1.91757   30.1211   -0.0574   11.9115
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.3002   -0.0802   1.14528   30.1234   -0.0344   7.14249
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3548   0.00517   0.07386   30.1560   0.00224   0.41420
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2714   0.04859   0.69413   30.2680   0.02154   3.97346
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0662   0.10379   1.48266   30.4324   0.04745   7.87911
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.6389   -0.2489   3.55609   27.8000   -0.0710   11.7976
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.2747   -0.1247   1.78114   27.6934   -0.0349   5.80014
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.3949   -0.1549   2.21312   27.7256   -0.0437   7.24883
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.4994   -0.1294   1.84817   27.7469   -0.0366   6.08583
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.5690   -0.1290   1.84285   27.7857   -0.0368   6.11623
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5187   0.00127   0.01820   27.8219   0.00037   0.08687
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.4931   -0.0331   0.47272   27.8994   -0.0097   2.67947
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.3512   -0.1012   1.44580   28.0229   -0.0302   8.36729
115  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.0997   -0.0697   0.99629   28.1526   -0.0214   5.90899
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.7434   -0.0034   0.04886   28.3076   -0.0011   0.35980
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.2487   0.12127   1.73244   28.4932   0.03967   13.1763
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.6913   0.31873   4.55330   28.6822   0.10849   36.0304
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1522   0.39782   5.68319   28.9130   0.14146   39.1490
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.5747   0.48528   6.93250   29.1649   0.18097   33.3893
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0375   0.41247   5.89240   29.4753   0.16211   33.6486
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.7288   0.08120   1.16001   29.4284   0.03074   10.2099
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0793   0.15072   2.15312   29.5351   0.05890   16.3022

EOSFIT-7.6>fit
     123 data for V will be used in least-squares
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 10:33
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.5500           :Reference pressure volume: units are cm^3/mol
      K0:  17.5500           :Bulk modulus: units are GPa
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  145.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.11000           :Gruneisen parameter at Tref,Pref
       q:  1.50000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 
    Do you want to change these EoS parameters or the EoS type? (Y/N) <N>?n

 SELECT PARAMETERS TO REFINE IN LEAST-SQUARES FIT:
           REFINE V0     (Y/N)?n
           REFINE K0     (Y/N)?n
           REFINE Kp     (Y/N)?n
     Parameters for thermal model
           REFINE ThMGD  (Y/N)?n
           REFINE Gamm0  (Y/N)?y
           REFINE q      (Y/N)?y

 SELECT WEIGHTING SCHEME:
     SIGMAS FOR P   PRESENT, USE IN WEIGHTS (Y/N)?n
     SIGMAS FOR T   PRESENT, USE IN WEIGHTS (Y/N)?n
     SIGMAS FOR V   PRESENT, USE IN WEIGHTS (Y/N)?n

     EQUATION FITTED WITH UNIT WEIGHTS FOR ALL DATA




   RESULTS FROM CYCLE  1
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        41.55000  [NOT REFINED]
 K0      0        17.55000  [NOT REFINED]
 Kp      0         4.98000  [NOT REFINED]
 Kpp     0        -0.33215  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       145.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.12139          0.01139          0.05645           0.20
 q       1         1.51973          0.01973          0.10390           0.19
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED


   RESULTS FROM CYCLE  2
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        41.55000  [NOT REFINED]
 K0      0        17.55000  [NOT REFINED]
 Kp      0         4.98000  [NOT REFINED]
 Kpp     0        -0.33215  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       145.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.12167          0.00029          0.05663           0.01
 q       1         1.52022          0.00050          0.10379           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED


***********************MESSAGE FROM LEAST SQUARES***********************
Least Squares converged, indicated by small shift/esd
************************************************************************



   RESULTS AFTER FINAL REFINEMENT CYCLE
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        41.55000  [NOT REFINED]
 K0      0        17.55000  [NOT REFINED]
 Kp      0         4.98000  [NOT REFINED]
 Kpp     0        -0.33215  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       145.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.12167          0.00029          0.05663           0.01
 q       1         1.52022          0.00050          0.10379           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED

 INPUT <CR> TO CONTINUE

  THE 123 LOADED DATA ARE AS FOLLOWS:
<-------------------------Observed Values---------------------------><----------------Calculated Values -------------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd       Wt
              GPA                                  CM^3/MOL               GPa                       cm^3/mol
  1  1    1.19000   0.00000   300.000   0.00000   39.2674   0.00289   1.14164   0.04836       INF   39.1856   0.08188   28.3256   1.0000000
  2  1    2.01000   0.00000   300.000   0.00000   37.9079   0.00181   2.02423   -0.0142       INF   37.9278   -0.0199   11.0198   1.0000000
  3  1    3.35000   0.03000   300.000   0.00000   36.2140   0.00295   3.40074   -0.0507   1.69121   36.2694   -0.0555   18.7952   1.0000000
  4  1    5.11000   0.03000   300.000   0.00000   34.5458   0.00277   5.14130   -0.0313   1.04330   34.5724   -0.0266   9.59394   1.0000000
  5  1    7.26000   0.04000   300.000   0.00000   32.9524   0.00259   7.27062   -0.0106   0.26546   32.9595   -0.0070   2.72234   1.0000000
  6  1    7.55000   0.00000   300.000   0.00000   32.7455   0.00265   7.58757   -0.0376       INF   32.7697   -0.0242   9.12737   1.0000000
  7  1    9.36000   0.00000   300.000   0.00000   31.6484   0.00235   9.45139   -0.0914       INF   31.6980   -0.0496   21.1124   1.0000000
  8  1    11.0200   0.02000   300.000   0.00000   30.7945   0.00157   11.1446   -0.1246   6.23069   30.8535   -0.0590   37.6766   1.0000000
  9  1    13.0600   0.03000   300.000   0.00000   29.9052   0.00211   13.1752   -0.1152   3.83972   29.9523   -0.0471   22.3570   1.0000000
 10  1    14.8600   0.15000   300.000   0.00000   29.2401   0.00307   14.9007   -0.0407   0.27140   29.2550   -0.0149   4.84337   1.0000000
 11  1    16.7500   0.02000   300.000   0.00000   28.6555   0.00253   16.5843   0.16572   8.28600   28.6009   0.05454   21.5643   1.0000000
 12  1    17.6800   0.03000   300.000   0.00000   28.3079   0.00277   17.6672   0.01281   0.42712   28.3039   0.00399   1.44040   1.0000000
 13  1    19.4100   0.00000   300.000   0.00000   27.7659   0.00211   19.4898   -0.0798       INF   27.7886   -0.0227   10.7713   1.0000000
 14  1    21.3900   0.03000   300.000   0.00000   27.2654   0.00307   21.3320   0.05801   1.93380   27.2503   0.01507   4.90796   1.0000000
 15  1    23.0000   0.00000   300.000   0.00000   26.9616   0.00295   22.5314   0.46856       INF   26.8472   0.11436   38.7565   1.0000000
 16  1    25.0200   0.03000   300.000   0.00000   26.3939   0.00205   24.9542   0.06579   2.19294   26.3793   0.01464   7.14862   1.0000000
 17  1    26.4700   0.00000   300.000   0.00000   26.0785   0.00211   26.4110   0.05904       INF   26.0660   0.01241   5.88833   1.0000000
 18  1    2.43000   0.07000   500.000   30.0000   38.1539   0.00361   2.33390   0.09610   1.37293   38.0147   0.13921   38.5261   1.0000000
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.55390   0.10610   1.51573   38.0320   0.15503   36.7760   1.0000000
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.74925   0.08075   1.15362   38.1379   0.12015   28.5023   1.0000000
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.90686   0.06314   0.90202   38.2923   0.09645   20.0200   1.0000000
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.88412   0.07588   1.08393   38.6906   0.12392   22.8639   1.0000000
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.88795   0.06205   0.88636   39.1191   0.10854   20.0267   1.0000000
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.83532   0.08468   1.20967   39.6203   0.16138   22.3316   1.0000000
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.79908   0.09092   1.29887   40.1698   0.19001   24.2702   1.0000000
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.11414   -0.0841   1.20197   35.0488   -0.0770   11.6255   1.0000000
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.36793   -0.0879   1.25621   35.0318   -0.0805   14.8557   1.0000000
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.51115   -0.1111   1.58780   35.1362   -0.1036   21.4968   1.0000000
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.60008   -0.1201   1.71544   35.2816   -0.1147   27.2038   1.0000000
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.62815   -0.0882   1.25932   35.4513   -0.0869   20.6096   1.0000000
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.59227   -0.0323   0.46095   35.6679   -0.0331   6.87526   1.0000000
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.51833   0.02167   0.30958   35.9366   0.02337   4.84982   1.0000000
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.45167   0.03833   0.54754   36.2530   0.04361   8.04687   1.0000000
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.37422   0.06578   0.93965   36.5883   0.07932   13.1719   1.0000000
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.28049   0.15951   2.27875   36.8815   0.20404   28.2342   1.0000000
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.47499   -0.1350   1.92848   32.5487   -0.0839   11.6158   1.0000000
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.40949   -0.1095   1.56418   32.7156   -0.0701   9.70491   1.0000000
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.37778   -0.0778   1.11114   32.8616   -0.0512   8.49830   1.0000000
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.30957   -0.0196   0.27955   33.0188   -0.0133   2.44862   1.0000000
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.25268   -0.0027   0.03828   33.2019   -0.0019   0.38878   1.0000000
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.19918   -0.0292   0.41686   33.4206   -0.0212   3.90484   1.0000000
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.97530   0.12469   1.78135   33.6407   0.09474   15.7322   1.0000000
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.79715   0.18285   2.61213   33.9093   0.14589   18.6345   1.0000000
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.64469   0.12531   1.79016   34.2663   0.10570   25.0745   1.0000000
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.37325   0.15675   2.23932   34.6735   0.14174   23.5357   1.0000000
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.11403   0.17597   2.51384   35.1112   0.17131   13.5464   1.0000000
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.87006   0.07994   1.14205   35.6890   0.08490   9.39864   1.0000000
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.60221   0.10779   1.53987   36.2131   0.12510   14.8376   1.0000000
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.17542   -0.2454   3.50601   34.2684   -0.1976   41.0108   1.0000000
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.42018   -0.2402   3.43110   34.2511   -0.1935   35.6954   1.0000000
<-------------------------Observed Values---------------------------><----------------Calculated Values -------------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd       Wt
              GPA                                  CM^3/MOL               GPa                       cm^3/mol
 51  1    6.32000   0.07000   700.000   30.0000   34.0408   0.00482   6.66989   -0.3499   4.99847   34.3246   -0.2839   58.9255   1.0000000
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.91756   -0.3876   5.53662   34.3411   -0.3154   87.2867   1.0000000
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.13965   -0.3797   5.42359   34.3411   -0.3100   64.3430   1.0000000
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.41250   -0.3825   5.46428   34.3077   -0.3116   73.9077   1.0000000
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.70369   -0.3237   4.62414   34.2082   -0.2614   48.2249   1.0000000
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.98056   -0.2706   3.86519   34.1259   -0.2171   40.0478   1.0000000
 57  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.26749   -0.2275   3.24985   34.0443   -0.1812   37.6108   1.0000000
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.19163   0.15837   2.26240   33.9793   0.12830   23.6712   1.0000000
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33807   0.39193   5.59895   33.8591   0.31711   65.8213   1.0000000
 60  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.45305   0.25695   3.67067   34.0592   0.21344   35.4432   1.0000000
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.63938   0.07062   1.00886   34.2500   0.05991   9.04445   1.0000000
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.76419   -0.1442   2.05992   34.5272   -0.1263   26.2199   1.0000000
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.25394   -0.2139   3.05632   33.4191   -0.1516   31.4712   1.0000000
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.48509   -0.1651   2.35844   33.3802   -0.1169   24.2681   1.0000000
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.73043   -0.2104   3.00612   33.3989   -0.1495   27.5767   1.0000000
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.97260   -0.1926   2.75138   33.3748   -0.1368   28.3871   1.0000000
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.20036   -0.1704   2.43372   33.3579   -0.1211   25.1391   1.0000000
 68  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.48219   -0.2222   3.17415   33.3555   -0.1578   32.7634   1.0000000
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.80648   -0.2165   3.09262   33.2815   -0.1525   31.6454   1.0000000
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.14192   -0.1919   2.74180   33.1868   -0.1337   27.7497   1.0000000
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.46497   -0.1450   2.07101   33.0862   -0.0999   20.7350   1.0000000
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.76824   -0.1082   1.54627   33.0073   -0.0740   15.3579   1.0000000
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0602   -0.0402   0.57468   32.9154   -0.0273   5.03096   1.0000000
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3194   -0.0194   0.27674   32.8783   -0.0131   2.41624   1.0000000
 75  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5589   -0.0889   1.26975   32.9160   -0.0604   10.0268   1.0000000
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8376   -0.2276   3.25143   32.9747   -0.1553   13.5714   1.0000000
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.7277   -0.1977   2.82466   30.3574   -0.0865   8.97454   1.0000000
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1754   -0.2554   3.64850   30.3746   -0.1122   12.4157   1.0000000
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5709   -0.4009   5.72649   30.4555   -0.1780   29.5585   1.0000000
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8557   -0.2457   3.50933   30.4520   -0.1100   20.2970   1.0000000
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4919   -0.0219   0.31349   30.7173   -0.0104   1.91547   1.0000000
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1547   -0.0147   0.20933   30.9827   -0.0073   1.34009   1.0000000
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8480   0.12202   1.74315   31.1788   0.06291   9.49621   1.0000000
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3905   0.22948   3.27834   31.4785   0.12513   25.9725   1.0000000
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1435   0.09647   1.37818   31.8120   0.05535   9.19066   1.0000000
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.94957   -0.0596   0.85096   31.6461   -0.0322   7.64569   1.0000000
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.3128   -0.0628   0.89666   31.6891   -0.0343   8.14520   1.0000000
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.6469   -0.0369   0.52772   31.7337   -0.0205   5.66300   1.0000000
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   11.0041   -0.0441   0.63004   31.7849   -0.0247   5.86344   1.0000000
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4366   -0.0866   1.23731   31.8145   -0.0489   11.5966   1.0000000
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6599   -0.0699   0.99921   31.8039   -0.0395   8.20233   1.0000000
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8588   -0.0788   1.12542   31.8218   -0.0447   10.6084   1.0000000
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.9106   0.03942   0.56321   30.1751   0.01688   3.11374   1.0000000
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.1424   -0.0224   0.31956   30.1938   -0.0096   1.77048   1.0000000
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.4000   -0.0700   1.00038   30.1956   -0.0301   4.99187   1.0000000
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.6328   -0.0728   1.03929   30.1889   -0.0312   5.76435   1.0000000
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8362   -0.0662   0.94602   30.1910   -0.0285   5.25760   1.0000000
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0932   -0.1132   1.61672   30.1931   -0.0487   10.1130   1.0000000
 99  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3278   -0.0978   1.39686   30.1781   -0.0421   8.73521   1.0000000
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.6074   -0.1374   1.96341   30.1674   -0.0591   12.2584   1.0000000
<-------------------------Observed Values---------------------------><----------------Calculated Values -------------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd       Wt
              GPA                                  CM^3/MOL               GPa                       cm^3/mol
101  1    14.7500   0.07000   1300.00   30.0000   30.0722   0.00482   14.9071   -0.1571   2.24375   30.1394   -0.0672   13.9564   1.0000000
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1418   -0.1318   1.88239   30.1201   -0.0564   11.7001   1.0000000
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.2975   -0.0775   1.10756   30.1223   -0.0333   6.91129   1.0000000
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3521   0.00790   0.11290   30.1549   0.00342   0.63169   1.0000000
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2687   0.05127   0.73246   30.2668   0.02274   4.19587   1.0000000
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0637   0.10626   1.51798   30.4312   0.04862   8.07358   1.0000000
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.6362   -0.2462   3.51688   27.7992   -0.0703   11.6687   1.0000000
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.2736   -0.1236   1.76520   27.6931   -0.0346   5.74820   1.0000000
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.3933   -0.1533   2.18934   27.7252   -0.0432   7.17187   1.0000000
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.4972   -0.1272   1.81667   27.7463   -0.0360   5.98352   1.0000000
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.5663   -0.1263   1.80383   27.7849   -0.0361   5.98764   1.0000000
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5155   0.00449   0.06417   27.8210   0.00130   0.30767   1.0000000
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.4894   -0.0294   0.42003   27.8983   -0.0086   2.38228   1.0000000
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.3471   -0.0971   1.38721   28.0217   -0.0290   8.03103   1.0000000
115  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.0953   -0.0653   0.93283   28.1512   -0.0200   5.53367   1.0000000
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.7387   0.00127   0.01817   28.3061   0.00040   0.13239   1.0000000
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.2439   0.12609   1.80125   28.4916   0.04127   13.7052   1.0000000
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.6864   0.32355   4.62219   28.6805   0.11018   36.5910   1.0000000
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1474   0.40257   5.75093   28.9112   0.14322   39.6357   1.0000000
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.5702   0.48981   6.99730   29.1631   0.18277   33.7218   1.0000000
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0333   0.41671   5.95305   29.4735   0.16389   34.0176   1.0000000
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.7282   0.08182   1.16892   29.4281   0.03098   10.2897   1.0000000
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0764   0.15362   2.19451   29.5339   0.06006   16.6232   1.0000000

  FITTING STATISTICS FOR 2 PARAMETERS FITTED TO 123 DATA:
      MAXIMUM DELTA-PRESSURE= 0.490


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      Gamm0     q
    Gamm0:     100.0      94.6
    q    :      94.6     100.0


  VARIANCE-COVARIANCE MATRIX NOT RESCALED
  VARIABLE     Gamm0     q
    Gamm0:   0.00321   0.00556
    q    :   0.00556   0.01077

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

EOSFIT-7.6>fit
     123 data for V will be used in least-squares
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 10:33
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.5500           :Reference pressure volume: units are cm^3/mol
      K0:  17.5500           :Bulk modulus: units are GPa
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  145.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.12(6)           :Gruneisen parameter at Tref,Pref
       q:  1.52(10)          :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 
    Do you want to change these EoS parameters or the EoS type? (Y/N) <N>?n

 SELECT PARAMETERS TO REFINE IN LEAST-SQUARES FIT:
           REFINE V0     (Y/N)?n
           REFINE K0     (Y/N)?n
           REFINE Kp     (Y/N)?n
     Parameters for thermal model
           REFINE ThMGD  (Y/N)?n
           REFINE Gamm0  (Y/N)?y
           REFINE q      (Y/N)?y

 SELECT WEIGHTING SCHEME:
     SIGMAS FOR P   PRESENT, USE IN WEIGHTS (Y/N)?n
     SIGMAS FOR T   PRESENT, USE IN WEIGHTS (Y/N)?n
     SIGMAS FOR V   PRESENT, USE IN WEIGHTS (Y/N)?n

     EQUATION FITTED WITH UNIT WEIGHTS FOR ALL DATA




   RESULTS FROM CYCLE  1
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        41.55000  [NOT REFINED]
 K0      0        17.55000  [NOT REFINED]
 Kp      0         4.98000  [NOT REFINED]
 Kpp     0        -0.33215  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       145.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.12168          0.00001          0.05664           0.00
 q       1         1.52024          0.00001          0.10379           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED


***********************MESSAGE FROM LEAST SQUARES***********************
Least Squares converged, indicated by small shift/esd
************************************************************************



   RESULTS AFTER FINAL REFINEMENT CYCLE
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        41.55000  [NOT REFINED]
 K0      0        17.55000  [NOT REFINED]
 Kp      0         4.98000  [NOT REFINED]
 Kpp     0        -0.33215  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       145.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.12168          0.00001          0.05664           0.00
 q       1         1.52024          0.00001          0.10379           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED

 INPUT <CR> TO CONTINUE

  THE 123 LOADED DATA ARE AS FOLLOWS:
<-------------------------Observed Values---------------------------><----------------Calculated Values -------------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd       Wt
              GPA                                  CM^3/MOL               GPa                       cm^3/mol
  1  1    1.19000   0.00000   300.000   0.00000   39.2674   0.00289   1.14164   0.04836       INF   39.1856   0.08188   28.3256   1.0000000
  2  1    2.01000   0.00000   300.000   0.00000   37.9079   0.00181   2.02423   -0.0142       INF   37.9278   -0.0199   11.0198   1.0000000
  3  1    3.35000   0.03000   300.000   0.00000   36.2140   0.00295   3.40074   -0.0507   1.69121   36.2694   -0.0555   18.7952   1.0000000
  4  1    5.11000   0.03000   300.000   0.00000   34.5458   0.00277   5.14130   -0.0313   1.04330   34.5724   -0.0266   9.59394   1.0000000
  5  1    7.26000   0.04000   300.000   0.00000   32.9524   0.00259   7.27062   -0.0106   0.26546   32.9595   -0.0070   2.72234   1.0000000
  6  1    7.55000   0.00000   300.000   0.00000   32.7455   0.00265   7.58757   -0.0376       INF   32.7697   -0.0242   9.12737   1.0000000
  7  1    9.36000   0.00000   300.000   0.00000   31.6484   0.00235   9.45139   -0.0914       INF   31.6980   -0.0496   21.1124   1.0000000
  8  1    11.0200   0.02000   300.000   0.00000   30.7945   0.00157   11.1446   -0.1246   6.23069   30.8535   -0.0590   37.6766   1.0000000
  9  1    13.0600   0.03000   300.000   0.00000   29.9052   0.00211   13.1752   -0.1152   3.83972   29.9523   -0.0471   22.3570   1.0000000
 10  1    14.8600   0.15000   300.000   0.00000   29.2401   0.00307   14.9007   -0.0407   0.27140   29.2550   -0.0149   4.84337   1.0000000
 11  1    16.7500   0.02000   300.000   0.00000   28.6555   0.00253   16.5843   0.16572   8.28600   28.6009   0.05454   21.5643   1.0000000
 12  1    17.6800   0.03000   300.000   0.00000   28.3079   0.00277   17.6672   0.01281   0.42712   28.3039   0.00399   1.44040   1.0000000
 13  1    19.4100   0.00000   300.000   0.00000   27.7659   0.00211   19.4898   -0.0798       INF   27.7886   -0.0227   10.7713   1.0000000
 14  1    21.3900   0.03000   300.000   0.00000   27.2654   0.00307   21.3320   0.05801   1.93380   27.2503   0.01507   4.90796   1.0000000
 15  1    23.0000   0.00000   300.000   0.00000   26.9616   0.00295   22.5314   0.46856       INF   26.8472   0.11436   38.7565   1.0000000
 16  1    25.0200   0.03000   300.000   0.00000   26.3939   0.00205   24.9542   0.06579   2.19294   26.3793   0.01464   7.14862   1.0000000
 17  1    26.4700   0.00000   300.000   0.00000   26.0785   0.00211   26.4110   0.05904       INF   26.0660   0.01241   5.88833   1.0000000
 18  1    2.43000   0.07000   500.000   30.0000   38.1539   0.00361   2.33390   0.09610   1.37291   38.0147   0.13920   38.5251   1.0000000
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.55390   0.10610   1.51571   38.0320   0.15502   36.7733   1.0000000
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.74925   0.08075   1.15359   38.1379   0.12014   28.5005   1.0000000
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.90686   0.06314   0.90197   38.2923   0.09645   20.0200   1.0000000
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.88413   0.07587   1.08388   38.6906   0.12392   22.8632   1.0000000
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.88796   0.06204   0.88630   39.1191   0.10854   20.0253   1.0000000
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.83533   0.08467   1.20960   39.6203   0.16137   22.3305   1.0000000
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.79908   0.09091   1.29879   40.1698   0.18999   24.2688   1.0000000
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.11414   -0.0841   1.20198   35.0488   -0.0770   11.6249   1.0000000
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.36793   -0.0879   1.25621   35.0318   -0.0805   14.8564   1.0000000
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.51115   -0.1111   1.58781   35.1362   -0.1036   21.4968   1.0000000
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.60008   -0.1201   1.71546   35.2816   -0.1147   27.2029   1.0000000
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.62815   -0.0882   1.25935   35.4513   -0.0869   20.6096   1.0000000
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.59227   -0.0323   0.46099   35.6679   -0.0331   6.87684   1.0000000
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.51833   0.02167   0.30955   35.9366   0.02336   4.84902   1.0000000
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.45168   0.03832   0.54749   36.2530   0.04361   8.04546   1.0000000
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.37423   0.06577   0.93959   36.5883   0.07932   13.1719   1.0000000
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.28049   0.15951   2.27868   36.8815   0.20403   28.2337   1.0000000
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.47499   -0.1350   1.92848   32.5487   -0.0839   11.6158   1.0000000
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.40949   -0.1095   1.56419   32.7156   -0.0701   9.70491   1.0000000
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.37778   -0.0778   1.11114   32.8616   -0.0512   8.49830   1.0000000
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.30957   -0.0196   0.27955   33.0188   -0.0133   2.44862   1.0000000
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.25268   -0.0027   0.03830   33.2019   -0.0019   0.38878   1.0000000
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.19918   -0.0292   0.41688   33.4206   -0.0212   3.90484   1.0000000
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.97531   0.12469   1.78133   33.6407   0.09474   15.7316   1.0000000
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.79715   0.18285   2.61211   33.9093   0.14589   18.6345   1.0000000
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.64469   0.12531   1.79013   34.2663   0.10569   25.0727   1.0000000
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.37325   0.15675   2.23929   34.6735   0.14174   23.5357   1.0000000
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.11403   0.17597   2.51380   35.1112   0.17132   13.5470   1.0000000
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.87006   0.07994   1.14199   35.6890   0.08489   9.39780   1.0000000
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.60221   0.10779   1.53979   36.2131   0.12509   14.8366   1.0000000
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.17542   -0.2454   3.50601   34.2684   -0.1976   41.0116   1.0000000
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.42018   -0.2402   3.43111   34.2511   -0.1935   35.6961   1.0000000
<-------------------------Observed Values---------------------------><----------------Calculated Values -------------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd       Wt
              GPA                                  CM^3/MOL               GPa                       cm^3/mol
 51  1    6.32000   0.07000   700.000   30.0000   34.0408   0.00482   6.66989   -0.3499   4.99847   34.3246   -0.2839   58.9255   1.0000000
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.91756   -0.3876   5.53663   34.3411   -0.3154   87.2877   1.0000000
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.13965   -0.3797   5.42361   34.3411   -0.3100   64.3430   1.0000000
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.41250   -0.3825   5.46429   34.3078   -0.3116   73.9086   1.0000000
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.70369   -0.3237   4.62415   34.2082   -0.2614   48.2249   1.0000000
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.98056   -0.2706   3.86521   34.1259   -0.2171   40.0485   1.0000000
 57  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.26749   -0.2275   3.24986   34.0443   -0.1812   37.6116   1.0000000
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.19163   0.15837   2.26237   33.9793   0.12830   23.6712   1.0000000
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33808   0.39192   5.59891   33.8591   0.31710   65.8197   1.0000000
 60  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.45306   0.25694   3.67062   34.0592   0.21344   35.4425   1.0000000
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.63938   0.07062   1.00881   34.2500   0.05991   9.04387   1.0000000
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.76420   -0.1442   2.05998   34.5272   -0.1263   26.2207   1.0000000
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.25394   -0.2139   3.05633   33.4191   -0.1516   31.4712   1.0000000
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.48509   -0.1651   2.35845   33.3802   -0.1169   24.2665   1.0000000
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.73043   -0.2104   3.00612   33.3989   -0.1495   27.5760   1.0000000
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.97260   -0.1926   2.75139   33.3748   -0.1368   28.3871   1.0000000
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.20036   -0.1704   2.43372   33.3579   -0.1211   25.1399   1.0000000
 68  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.48219   -0.2222   3.17417   33.3555   -0.1578   32.7642   1.0000000
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.80648   -0.2165   3.09263   33.2815   -0.1525   31.6454   1.0000000
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.14193   -0.1919   2.74181   33.1868   -0.1337   27.7505   1.0000000
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.46497   -0.1450   2.07103   33.0862   -0.0999   20.7350   1.0000000
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.76824   -0.1082   1.54630   33.0073   -0.0740   15.3579   1.0000000
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0602   -0.0402   0.57468   32.9154   -0.0273   5.03096   1.0000000
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3194   -0.0194   0.27674   32.8783   -0.0131   2.41624   1.0000000
 75  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5589   -0.0889   1.26975   32.9160   -0.0604   10.0268   1.0000000
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8376   -0.2276   3.25144   32.9747   -0.1553   13.5714   1.0000000
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.7277   -0.1977   2.82466   30.3574   -0.0865   8.97454   1.0000000
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1754   -0.2554   3.64849   30.3746   -0.1122   12.4153   1.0000000
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5709   -0.4009   5.72646   30.4555   -0.1780   29.5594   1.0000000
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8557   -0.2457   3.50930   30.4520   -0.1100   20.2966   1.0000000
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4919   -0.0219   0.31347   30.7173   -0.0104   1.91547   1.0000000
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1547   -0.0147   0.20930   30.9827   -0.0073   1.34009   1.0000000
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8480   0.12202   1.74315   31.1788   0.06291   9.49650   1.0000000
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3905   0.22948   3.27834   31.4785   0.12513   25.9725   1.0000000
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1435   0.09647   1.37820   31.8120   0.05535   9.19066   1.0000000
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.94957   -0.0596   0.85096   31.6461   -0.0322   7.64569   1.0000000
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.3128   -0.0628   0.89666   31.6891   -0.0343   8.14566   1.0000000
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.6469   -0.0369   0.52772   31.7337   -0.0205   5.66300   1.0000000
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   11.0041   -0.0441   0.63002   31.7849   -0.0247   5.86344   1.0000000
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4366   -0.0866   1.23731   31.8145   -0.0489   11.5961   1.0000000
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6599   -0.0699   0.99921   31.8039   -0.0395   8.20272   1.0000000
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8588   -0.0788   1.12540   31.8218   -0.0447   10.6089   1.0000000
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.9106   0.03942   0.56321   30.1751   0.01688   3.11374   1.0000000
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.1424   -0.0224   0.31955   30.1938   -0.0096   1.77048   1.0000000
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.4000   -0.0700   1.00038   30.1956   -0.0301   4.99155   1.0000000
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.6327   -0.0727   1.03927   30.1889   -0.0312   5.76435   1.0000000
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8362   -0.0662   0.94600   30.1910   -0.0285   5.25724   1.0000000
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0932   -0.1132   1.61670   30.1932   -0.0487   10.1141   1.0000000
 99  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3278   -0.0978   1.39683   30.1781   -0.0421   8.73521   1.0000000
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.6074   -0.1374   1.96340   30.1674   -0.0591   12.2591   1.0000000
<-------------------------Observed Values---------------------------><----------------Calculated Values -------------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd       Wt
              GPA                                  CM^3/MOL               GPa                       cm^3/mol
101  1    14.7500   0.07000   1300.00   30.0000   30.0722   0.00482   14.9071   -0.1571   2.24374   30.1394   -0.0672   13.9564   1.0000000
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1418   -0.1318   1.88236   30.1201   -0.0564   11.6997   1.0000000
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.2975   -0.0775   1.10753   30.1223   -0.0333   6.91089   1.0000000
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3521   0.00791   0.11293   30.1549   0.00343   0.63204   1.0000000
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2687   0.05127   0.73249   30.2668   0.02274   4.19587   1.0000000
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0637   0.10626   1.51800   30.4312   0.04862   8.07421   1.0000000
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.6362   -0.2462   3.51685   27.7992   -0.0703   11.6687   1.0000000
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.2736   -0.1236   1.76520   27.6931   -0.0346   5.74820   1.0000000
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.3933   -0.1533   2.18931   27.7252   -0.0432   7.17155   1.0000000
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.4972   -0.1272   1.81664   27.7463   -0.0360   5.98352   1.0000000
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.5663   -0.1263   1.80381   27.7849   -0.0361   5.98764   1.0000000
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5155   0.00450   0.06422   27.8210   0.00130   0.30903   1.0000000
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.4894   -0.0294   0.41997   27.8983   -0.0086   2.38175   1.0000000
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.3471   -0.0971   1.38716   28.0217   -0.0290   8.03103   1.0000000
115  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.0953   -0.0653   0.93278   28.1512   -0.0200   5.53315   1.0000000
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.7387   0.00128   0.01823   28.3061   0.00040   0.13302   1.0000000
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.2439   0.12609   1.80127   28.4916   0.04127   13.7065   1.0000000
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.6864   0.32356   4.62224   28.6805   0.11018   36.5922   1.0000000
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1474   0.40257   5.75098   28.9112   0.14322   39.6363   1.0000000
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.5702   0.48981   6.99735   29.1631   0.18277   33.7225   1.0000000
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0333   0.41672   5.95311   29.4735   0.16389   34.0172   1.0000000
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.7282   0.08183   1.16893   29.4281   0.03098   10.2903   1.0000000
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0764   0.15362   2.19454   29.5339   0.06007   16.6237   1.0000000

  FITTING STATISTICS FOR 2 PARAMETERS FITTED TO 123 DATA:
      MAXIMUM DELTA-PRESSURE= 0.490


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      Gamm0     q
    Gamm0:     100.0      94.6
    q    :      94.6     100.0


  VARIANCE-COVARIANCE MATRIX NOT RESCALED
  VARIABLE     Gamm0     q
    Gamm0:   0.00321   0.00556
    q    :   0.00556   0.01077

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

EOSFIT-7.6>save /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/unweighted_printed_theta/fitted.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 10:33
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.5500           :Reference pressure volume: units are cm^3/mol
      K0:  17.5500           :Bulk modulus: units are GPa
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  145.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.12(6)           :Gruneisen parameter at Tref,Pref
       q:  1.52(10)          :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-case3-eosfit7c/rbbr_kprime_4p98/unweighted_printed_theta/fitted.eos


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


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***** Macro completed

EOSFIT-7.6>