***********************************************************************************************************************
*                                                                                                                     *
*                                                     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/rbcl/weighted_printed_theta/run.mcr

***** Running macro

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


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


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


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



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

  THE 122 LOADED DATA ARE AS FOLLOWS:
<------------------------Observed Values-------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)
              GPA                                  CM^3/MOL
  1  1    0.54000   0.00000   300.000   0.00000   35.3469   0.00301
  2  1    1.46000   0.03000   300.000   0.00000   34.0613   0.00289
  3  1    2.64000   0.04000   300.000   0.00000   32.6838   0.00379
  4  1    4.15000   0.06000   300.000   0.00000   31.3146   0.00319
  5  1    6.03000   0.06000   300.000   0.00000   29.9937   0.00422
  6  1    7.83000   0.06000   300.000   0.00000   28.9302   0.00283
  7  1    10.0100   0.03000   300.000   0.00000   27.9112   0.00265
  8  1    11.8400   0.06000   300.000   0.00000   27.1534   0.00289
  9  1    13.4900   0.06000   300.000   0.00000   26.5829   0.00355
 10  1    14.8600   0.03000   300.000   0.00000   26.1094   0.00295
 11  1    16.9700   0.06000   300.000   0.00000   25.4952   0.00223
 12  1    18.7100   0.08000   300.000   0.00000   25.0511   0.00169
 13  1    20.1900   0.00000   300.000   0.00000   24.6826   0.00193
 14  1    22.4900   0.03000   300.000   0.00000   24.1595   0.00229
 15  1    24.3400   0.03000   300.000   0.00000   23.7741   0.00235
 16  1    26.0500   0.02000   300.000   0.00000   23.4336   0.00271
 17  1    2.43000   0.07000   500.000   30.0000   33.5903   0.00361
 18  1    2.66000   0.07000   600.000   30.0000   33.6499   0.00361
 19  1    2.83000   0.07000   700.000   30.0000   33.7595   0.00361
 20  1    2.97000   0.07000   800.000   30.0000   33.9107   0.00422
 21  1    2.96000   0.07000   900.000   30.0000   34.3087   0.00361
 22  1    2.95000   0.07000   1000.00   30.0000   34.6761   0.00422
 23  1    2.92000   0.07000   1100.00   30.0000   35.0434   0.00542
 24  1    2.89000   0.07000   1200.00   30.0000   35.5927   0.00964
 25  1    5.03000   0.07000   500.000   30.0000   31.1176   0.00422
 26  1    5.28000   0.07000   600.000   30.0000   31.1411   0.00422
 27  1    5.40000   0.07000   700.000   30.0000   31.2531   0.00422
 28  1    5.48000   0.07000   800.000   30.0000   31.3958   0.00422
 29  1    5.54000   0.07000   900.000   30.0000   31.5765   0.00422
 30  1    5.56000   0.07000   1000.00   30.0000   31.8077   0.00482
 31  1    5.54000   0.07000   1100.00   30.0000   32.0751   0.00602
 32  1    5.49000   0.07000   1200.00   30.0000   32.3413   0.00602
 33  1    5.44000   0.07000   1300.00   30.0000   32.6394   0.00723
 34  1    5.44000   0.07000   1400.00   30.0000   32.9682   0.00843
 35  1    8.34000   0.07000   500.000   30.0000   28.8906   0.00482
 36  1    8.30000   0.07000   600.000   30.0000   29.1339   0.00422
 37  1    8.30000   0.07000   700.000   30.0000   29.3477   0.00361
 38  1    8.29000   0.07000   800.000   30.0000   29.5669   0.00361
 39  1    8.25000   0.07000   900.000   30.0000   29.7753   0.00361
 40  1    8.17000   0.07000   1000.00   30.0000   29.9493   0.00301
 41  1    8.10000   0.07000   1100.00   30.0000   30.1950   0.00301
 42  1    7.98000   0.07000   1200.00   30.0000   30.4907   0.00361
 43  1    7.77000   0.07000   1300.00   30.0000   30.8291   0.00422
 44  1    7.53000   0.07000   1400.00   30.0000   31.2374   0.00542
 45  1    7.29000   0.07000   1500.00   30.0000   31.6331   0.00542
 46  1    6.95000   0.07000   1600.00   30.0000   32.0462   0.00723
 47  1    6.71000   0.07000   1700.00   30.0000   32.4979   0.00903
 48  1    5.93000   0.07000   500.000   30.0000   30.3654   0.00422
 49  1    6.18000   0.07000   600.000   30.0000   30.3678   0.00422
 50  1    6.32000   0.07000   700.000   30.0000   30.3691   0.00422
<------------------------Observed Values-------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)
              GPA                                  CM^3/MOL
 51  1    6.53000   0.07000   800.000   30.0000   30.3691   0.00422
 52  1    6.76000   0.07000   900.000   30.0000   30.3745   0.00422
 53  1    7.03000   0.07000   1000.00   30.0000   30.3715   0.00422
 54  1    7.38000   0.07000   1100.00   30.0000   30.3432   0.00422
 55  1    7.71000   0.07000   1200.00   30.0000   30.3130   0.00422
 56  1    8.04000   0.07000   1300.00   30.0000   30.2938   0.00422
 57  1    8.35000   0.07000   1400.00   30.0000   30.2938   0.00422
 58  1    8.73000   0.07000   1500.00   30.0000   30.3474   0.00422
 59  1    8.71000   0.07000   1600.00   30.0000   30.4793   0.00422
 60  1    8.71000   0.07000   1700.00   30.0000   30.6665   0.00422
 61  1    8.62000   0.07000   1800.00   30.0000   30.9791   0.00482
 62  1    7.04000   0.07000   500.000   30.0000   29.6464   0.00301
 63  1    7.32000   0.07000   600.000   30.0000   29.6693   0.00301
 64  1    7.52000   0.07000   700.000   30.0000   29.6789   0.00301
 65  1    7.78000   0.07000   800.000   30.0000   29.6819   0.00301
 66  1    8.03000   0.07000   900.000   30.0000   29.6873   0.00301
 67  1    8.26000   0.07000   1000.00   30.0000   29.6699   0.00301
 68  1    8.59000   0.07000   1100.00   30.0000   29.6392   0.00301
 69  1    8.95000   0.07000   1200.00   30.0000   29.5952   0.00301
 70  1    9.32000   0.07000   1300.00   30.0000   29.5506   0.00361
 71  1    9.66000   0.07000   1400.00   30.0000   29.5157   0.00361
 72  1    10.0200   0.07000   1500.00   30.0000   29.4844   0.00422
 73  1    10.3000   0.07000   1600.00   30.0000   29.4730   0.00422
 74  1    10.4700   0.07000   1700.00   30.0000   29.4681   0.00422
 75  1    10.6100   0.07000   1800.00   30.0000   29.5482   0.00422
 76  1    12.5300   0.07000   500.000   30.0000   26.9575   0.00723
 77  1    12.9200   0.07000   700.000   30.0000   27.0310   0.00542
 78  1    13.1700   0.07000   900.000   30.0000   27.1406   0.00422
 79  1    13.6100   0.07000   1100.00   30.0000   27.2183   0.00361
 80  1    13.4700   0.07000   1300.00   30.0000   27.5916   0.00301
 81  1    13.1400   0.07000   1400.00   30.0000   27.8422   0.00361
 82  1    12.9700   0.07000   1500.00   30.0000   28.1138   0.00422
 83  1    12.6200   0.07000   1600.00   30.0000   28.3197   0.00602
 84  1    12.2400   0.07000   1700.00   30.0000   28.6678   0.00602
 85  1    9.89000   0.07000   500.000   30.0000   28.1806   0.00361
 86  1    10.2500   0.07000   700.000   30.0000   28.2511   0.00361
 87  1    10.6100   0.07000   900.000   30.0000   28.3336   0.00361
 88  1    10.9600   0.07000   1100.00   30.0000   28.4034   0.00422
 89  1    11.3500   0.07000   1300.00   30.0000   28.3956   0.00662
 90  1    11.5900   0.07000   1400.00   30.0000   28.4426   0.00361
 91  1    11.7800   0.07000   1500.00   30.0000   28.4673   0.00361
 92  1    12.9500   0.07000   500.000   30.0000   27.0250   0.00301
 93  1    13.1200   0.07000   600.000   30.0000   27.0376   0.00301
 94  1    13.3300   0.07000   700.000   30.0000   27.0412   0.00301
 95  1    13.5600   0.07000   800.000   30.0000   27.0509   0.00301
 96  1    13.7700   0.07000   900.000   30.0000   27.0665   0.00301
 97  1    13.9800   0.07000   1000.00   30.0000   27.0629   0.00241
 98  1    14.2300   0.07000   1100.00   30.0000   27.0539   0.00241
 99  1    14.4700   0.07000   1200.00   30.0000   27.0418   0.00241
100  1    14.7500   0.07000   1300.00   30.0000   27.0250   0.00241
<------------------------Observed Values-------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)
              GPA                                  CM^3/MOL
101  1    15.0100   0.07000   1400.00   30.0000   27.0238   0.00241
102  1    15.2200   0.07000   1500.00   30.0000   27.0539   0.00301
103  1    15.3600   0.07000   1600.00   30.0000   27.1225   0.00301
104  1    15.3200   0.07000   1700.00   30.0000   27.2568   0.00301
105  1    15.1700   0.07000   1800.00   30.0000   27.4134   0.00301
106  1    20.3900   0.07000   800.000   30.0000   24.8925   0.00542
107  1    20.1500   0.07000   500.000   30.0000   24.8052   0.00542
108  1    20.2400   0.07000   600.000   30.0000   24.8335   0.00482
109  1    20.3700   0.07000   700.000   30.0000   24.8660   0.00542
110  1    20.4400   0.07000   800.000   30.0000   24.9190   0.00482
111  1    20.5200   0.07000   900.000   30.0000   24.9991   0.00422
112  1    20.4600   0.07000   1000.00   30.0000   25.0900   0.00361
113  1    20.2500   0.07000   1100.00   30.0000   25.1822   0.00361
114  1    20.0300   0.07000   1200.00   30.0000   25.3165   0.00301
115  1    19.7400   0.07000   1300.00   30.0000   25.4881   0.00301
116  1    19.3700   0.07000   1400.00   30.0000   25.7031   0.00301
117  1    19.0100   0.07000   1500.00   30.0000   25.9151   0.00301
118  1    18.5500   0.07000   1600.00   30.0000   26.1361   0.00361
119  1    18.0600   0.07000   1700.00   30.0000   26.3890   0.00422
120  1    17.4500   0.07000   1800.00   30.0000   26.6642   0.00361
121  1    14.8100   0.07000   500.000   30.0000   26.3944   0.00181
122  1    16.2300   0.07000   1300.00   30.0000   26.5865   0.00241

       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):36.25
          VALUE OF K0    (    10.000):19.89
          VALUE OF Kp    (     4.000):5.0
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  36.2500           :Reference pressure volume: units as volume data
      K0:  19.8900           :Bulk modulus: same units as pressure data
      Kp:  5.00000           :dK/dP: dimensionless
     Kpp: -0.2961            :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    (    36.250):36.25
    Debye temperature in K:
                    VALUE OF ThMGD (   298.000):177.0
    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):1.96
    Gruneisen power law in V/V0:
                    VALUE OF q     (     0.000):1.05

*****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:  36.2500           :Reference pressure volume: units as volume data
      K0:  19.8900           :Bulk modulus: same units as pressure data
      Kp:  5.00000           :dK/dP: dimensionless
     Kpp: -0.2961            :d2K/dP2: inverse pressure units [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  177.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  1.96000           :Gruneisen parameter at Tref,Pref
       q:  1.05000           :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:  36.2500           :Reference pressure volume: units as volume data
      K0:  19.8900           :Bulk modulus: units are GPa
      Kp:  5.00000           :dK/dP: dimensionless
     Kpp: -0.2961            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  177.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  1.96000           :Gruneisen parameter at Tref,Pref
       q:  1.05000           :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:  36.2500           :Reference pressure volume: units are cm^3/mol
      K0:  19.8900           :Bulk modulus: units are GPa
      Kp:  5.00000           :dK/dP: dimensionless
     Kpp: -0.2961            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  177.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  1.96000           :Gruneisen parameter at Tref,Pref
       q:  1.05000           :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/rbcl/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:  36.2500           :Reference pressure volume: units are cm^3/mol
      K0:  19.8900           :Bulk modulus: units are GPa
      Kp:  5.00000           :dK/dP: dimensionless
     Kpp: -0.2961            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  177.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  1.96000           :Gruneisen parameter at Tref,Pref
       q:  1.05000           :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/rbcl/weighted_printed_theta/initial.eos


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


EOSFIT-7.6>list

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

  THE 122 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    0.54000   0.00000   300.000   0.00000   35.3469   0.00301   0.53449   0.00551       INF   35.3383   0.00864   2.86951
  2  1    1.46000   0.03000   300.000   0.00000   34.0613   0.00289   1.44773   0.01227   0.40897   34.0458   0.01553   5.37241
  3  1    2.64000   0.04000   300.000   0.00000   32.6838   0.00379   2.67015   -0.0302   0.75377   32.7142   -0.0304   8.01459
  4  1    4.15000   0.06000   300.000   0.00000   31.3146   0.00319   4.20235   -0.0524   0.87253   31.3565   -0.0419   13.1195
  5  1    6.03000   0.06000   300.000   0.00000   29.9937   0.00422   6.06393   -0.0339   0.56550   30.0152   -0.0216   5.11326
  6  1    7.83000   0.06000   300.000   0.00000   28.9302   0.00283   7.90831   -0.0783   1.30519   28.9715   -0.0413   14.5949
  7  1    10.0100   0.03000   300.000   0.00000   27.9112   0.00265   10.0353   -0.0253   0.84209   27.9223   -0.0111   4.17714
  8  1    11.8400   0.06000   300.000   0.00000   27.1534   0.00289   11.8927   -0.0527   0.87786   27.1735   -0.0201   6.95206
  9  1    13.4900   0.06000   300.000   0.00000   26.5829   0.00355   13.4726   0.01742   0.29028   26.5770   0.00596   1.67863
 10  1    14.8600   0.03000   300.000   0.00000   26.1094   0.00295   14.9183   -0.0583   1.94203   26.1277   -0.0183   6.19872
 11  1    16.9700   0.06000   300.000   0.00000   25.4952   0.00223   16.9978   -0.0278   0.46253   25.5029   -0.0077   3.47453
 12  1    18.7100   0.08000   300.000   0.00000   25.0511   0.00169   18.6612   0.04878   0.60971   25.0387   0.01246   7.39095
 13  1    20.1900   0.00000   300.000   0.00000   24.6826   0.00193   20.1553   0.03468       INF   24.6743   0.00824   4.27774
 14  1    22.4900   0.03000   300.000   0.00000   24.1595   0.00229   22.4710   0.01899   0.63311   24.1554   0.00408   1.78198
 15  1    24.3400   0.03000   300.000   0.00000   23.7741   0.00235   24.3382   0.00180   0.06008   23.7738   0.00036   0.15268
 16  1    26.0500   0.02000   300.000   0.00000   23.4336   0.00271   26.1136   -0.0636   3.17831   23.4454   -0.0118   4.35247
 17  1    2.43000   0.07000   500.000   30.0000   33.5903   0.00361   2.36436   0.06564   0.93772   33.5138   0.07654   21.1824
 18  1    2.66000   0.07000   600.000   30.0000   33.6499   0.00361   2.58068   0.07932   1.13311   33.5566   0.09335   25.8351
 19  1    2.83000   0.07000   700.000   30.0000   33.7595   0.00361   2.75658   0.07342   1.04886   33.6714   0.08811   24.3855
 20  1    2.97000   0.07000   800.000   30.0000   33.9107   0.00422   2.90098   0.06902   0.98604   33.8256   0.08503   20.1716
 21  1    2.96000   0.07000   900.000   30.0000   34.3087   0.00361   2.85885   0.10115   1.44507   34.1760   0.13274   36.7377
 22  1    2.95000   0.07000   1000.00   30.0000   34.6761   0.00422   2.85889   0.09111   1.30154   34.5488   0.12726   30.1891
 23  1    2.92000   0.07000   1100.00   30.0000   35.0434   0.00542   2.87532   0.04468   0.63823   34.9767   0.06673   12.3121
 24  1    2.89000   0.07000   1200.00   30.0000   35.5927   0.00964   2.79501   0.09499   1.35701   35.4382   0.15444   16.0285
 25  1    5.03000   0.07000   500.000   30.0000   31.1176   0.00422   4.97957   0.05043   0.72044   31.0788   0.03878   9.20034
 26  1    5.28000   0.07000   600.000   30.0000   31.1411   0.00422   5.21446   0.06554   0.93631   31.0905   0.05058   11.9988
 27  1    5.40000   0.07000   700.000   30.0000   31.2531   0.00422   5.33735   0.06265   0.89493   31.2038   0.04931   11.6984
 28  1    5.48000   0.07000   800.000   30.0000   31.3958   0.00422   5.42553   0.05447   0.77808   31.3518   0.04398   10.4328
 29  1    5.54000   0.07000   900.000   30.0000   31.5765   0.00422   5.47295   0.06705   0.95780   31.5207   0.05581   13.2390
 30  1    5.56000   0.07000   1000.00   30.0000   31.8077   0.00482   5.46907   0.09093   1.29899   31.7291   0.07862   16.3191
 31  1    5.54000   0.07000   1100.00   30.0000   32.0751   0.00602   5.43629   0.10371   1.48151   31.9813   0.09378   15.5720
 32  1    5.49000   0.07000   1200.00   30.0000   32.3413   0.00602   5.41850   0.07150   1.02143   32.2735   0.06783   11.2639
 33  1    5.44000   0.07000   1300.00   30.0000   32.6394   0.00723   5.38178   0.05822   0.83164   32.5812   0.05817   8.05003
 34  1    5.44000   0.07000   1400.00   30.0000   32.9682   0.00843   5.33139   0.10861   1.55153   32.8540   0.11424   13.5498
 35  1    8.34000   0.07000   500.000   30.0000   28.8906   0.00482   8.50513   -0.1651   2.35895   28.9776   -0.0869   18.0477
 36  1    8.30000   0.07000   600.000   30.0000   29.1339   0.00422   8.31325   -0.0133   0.18933   29.1412   -0.0072   1.71754
 37  1    8.30000   0.07000   700.000   30.0000   29.3477   0.00361   8.19374   0.10626   1.51794   29.2878   0.05994   16.5899
 38  1    8.29000   0.07000   800.000   30.0000   29.5669   0.00361   8.08008   0.20992   2.99879   29.4444   0.12247   33.8930
 39  1    8.25000   0.07000   900.000   30.0000   29.7753   0.00361   7.99909   0.25091   3.58441   29.6238   0.15152   41.9336
 40  1    8.17000   0.07000   1000.00   30.0000   29.9493   0.00301   7.98526   0.18474   2.63913   29.8339   0.11543   38.3367
 41  1    8.10000   0.07000   1100.00   30.0000   30.1950   0.00301   7.87078   0.22922   3.27452   30.0459   0.14913   49.5272
 42  1    7.98000   0.07000   1200.00   30.0000   30.4907   0.00361   7.70038   0.27962   3.99453   30.2998   0.19092   52.8388
 43  1    7.77000   0.07000   1300.00   30.0000   30.8291   0.00422   7.49401   0.27599   3.94275   30.6294   0.19978   47.3908
 44  1    7.53000   0.07000   1400.00   30.0000   31.2374   0.00542   7.22608   0.30392   4.34176   31.0020   0.23544   43.4403
 45  1    7.29000   0.07000   1500.00   30.0000   31.6331   0.00542   7.00985   0.28015   4.00209   31.4006   0.23247   42.8913
 46  1    6.95000   0.07000   1600.00   30.0000   32.0462   0.00723   6.80652   0.14348   2.04977   31.9172   0.12899   17.8497
 47  1    6.71000   0.07000   1700.00   30.0000   32.4979   0.00903   6.59627   0.11373   1.62472   32.3872   0.11064   12.2483
 48  1    5.93000   0.07000   500.000   30.0000   30.3654   0.00422   6.02058   -0.0906   1.29397   30.4271   -0.0617   14.6335
 49  1    6.18000   0.07000   600.000   30.0000   30.3678   0.00422   6.28175   -0.1018   1.45363   30.4373   -0.0694   16.4655
 50  1    6.32000   0.07000   700.000   30.0000   30.3691   0.00422   6.54545   -0.2254   3.22065   30.5241   -0.1550   36.7760
<-------------------------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    6.53000   0.07000   800.000   30.0000   30.3691   0.00422   6.81138   -0.2814   4.01976   30.5633   -0.1942   46.0755
 52  1    6.76000   0.07000   900.000   30.0000   30.3745   0.00422   7.06965   -0.3097   4.42361   30.5889   -0.2144   50.8593
 53  1    7.03000   0.07000   1000.00   30.0000   30.3715   0.00422   7.34055   -0.3106   4.43647   30.5865   -0.2150   51.0028
 54  1    7.38000   0.07000   1100.00   30.0000   30.3432   0.00422   7.64892   -0.2689   3.84177   30.5280   -0.1848   43.8494
 55  1    7.71000   0.07000   1200.00   30.0000   30.3130   0.00422   7.96027   -0.2503   3.57528   30.4840   -0.1710   40.5600
 56  1    8.04000   0.07000   1300.00   30.0000   30.2938   0.00422   8.25574   -0.2157   3.08202   30.4404   -0.1466   34.7861
 57  1    8.35000   0.07000   1400.00   30.0000   30.2938   0.00422   8.52261   -0.1726   2.46589   30.4108   -0.1171   27.7689
 58  1    8.73000   0.07000   1500.00   30.0000   30.3474   0.00422   8.71010   0.01990   0.28424   30.3339   0.01347   3.19528
 59  1    8.71000   0.07000   1600.00   30.0000   30.4793   0.00422   8.78482   -0.0748   1.06880   30.5314   -0.0521   12.3694
 60  1    8.71000   0.07000   1700.00   30.0000   30.6665   0.00422   8.78641   -0.0764   1.09163   30.7216   -0.0551   13.0598
 61  1    8.62000   0.07000   1800.00   30.0000   30.9791   0.00482   8.62949   -0.0095   0.13563   30.9863   -0.0072   1.49295
 62  1    7.04000   0.07000   500.000   30.0000   29.6464   0.00301   7.15152   -0.1115   1.59317   29.7134   -0.0670   22.2555
 63  1    7.32000   0.07000   600.000   30.0000   29.6693   0.00301   7.37751   -0.0575   0.82155   29.7039   -0.0346   11.4951
 64  1    7.52000   0.07000   700.000   30.0000   29.6789   0.00301   7.62649   -0.1065   1.52132   29.7433   -0.0644   21.3870
 65  1    7.78000   0.07000   800.000   30.0000   29.6819   0.00301   7.88701   -0.1070   1.52877   29.7467   -0.0648   21.5105
 66  1    8.03000   0.07000   900.000   30.0000   29.6873   0.00301   8.14387   -0.1139   1.62676   29.7564   -0.0690   22.9282
 67  1    8.26000   0.07000   1000.00   30.0000   29.6699   0.00301   8.43899   -0.1790   2.55696   29.7785   -0.1086   36.0665
 68  1    8.59000   0.07000   1100.00   30.0000   29.6392   0.00301   8.75647   -0.1665   2.37820   29.7396   -0.1004   33.3484
 69  1    8.95000   0.07000   1200.00   30.0000   29.5952   0.00301   9.09664   -0.1466   2.09481   29.6829   -0.0877   29.1246
 70  1    9.32000   0.07000   1300.00   30.0000   29.5506   0.00361   9.43845   -0.1184   1.69208   29.6208   -0.0702   19.4283
 71  1    9.66000   0.07000   1400.00   30.0000   29.5157   0.00361   9.76442   -0.1044   1.49171   29.5772   -0.0615   17.0133
 72  1    10.0200   0.07000   1500.00   30.0000   29.4844   0.00422   10.0846   -0.0646   0.92253   29.5221   -0.0377   8.95375
 73  1    10.3000   0.07000   1600.00   30.0000   29.4730   0.00422   10.3708   -0.0708   1.01170   29.5143   -0.0413   9.80573
 74  1    10.4700   0.07000   1700.00   30.0000   29.4681   0.00422   10.6457   -0.1757   2.51056   29.5712   -0.1031   24.4478
 75  1    10.6100   0.07000   1800.00   30.0000   29.5482   0.00422   10.7756   -0.1656   2.36525   29.6467   -0.0985   23.3601
 76  1    12.5300   0.07000   500.000   30.0000   26.9575   0.00723   12.9332   -0.4032   5.76038   27.1078   -0.1503   20.8016
 77  1    12.9200   0.07000   700.000   30.0000   27.0310   0.00542   13.2600   -0.3400   4.85652   27.1593   -0.1283   23.6708
 78  1    13.1700   0.07000   900.000   30.0000   27.1406   0.00422   13.4972   -0.3272   4.67446   27.2666   -0.1260   29.9004
 79  1    13.6100   0.07000   1100.00   30.0000   27.2183   0.00361   13.8242   -0.2142   3.06007   27.3017   -0.0834   23.0864
 80  1    13.4700   0.07000   1300.00   30.0000   27.5916   0.00301   13.4212   0.04883   0.69750   27.5715   0.02019   6.70375
 81  1    13.1400   0.07000   1400.00   30.0000   27.8422   0.00361   13.0955   0.04449   0.63556   27.8229   0.01926   5.32992
 82  1    12.9700   0.07000   1500.00   30.0000   28.1138   0.00422   12.7502   0.21976   3.13936   28.0145   0.09924   23.5424
 83  1    12.6200   0.07000   1600.00   30.0000   28.3197   0.00602   12.5726   0.04738   0.67686   28.2973   0.02237   3.71516
 84  1    12.2400   0.07000   1700.00   30.0000   28.6678   0.00602   12.1258   0.11423   1.63191   28.6105   0.05726   9.50865
 85  1    9.89000   0.07000   500.000   30.0000   28.1806   0.00361   9.95419   -0.0642   0.91703   28.2102   -0.0296   8.19309
 86  1    10.2500   0.07000   700.000   30.0000   28.2511   0.00361   10.3291   -0.0791   1.13059   28.2881   -0.0370   10.2460
 87  1    10.6100   0.07000   900.000   30.0000   28.3336   0.00361   10.6832   -0.0732   1.04600   28.3683   -0.0348   9.62467
 88  1    10.9600   0.07000   1100.00   30.0000   28.4034   0.00422   11.0675   -0.1075   1.53638   28.4553   -0.0518   12.2965
 89  1    11.3500   0.07000   1300.00   30.0000   28.3956   0.00662   11.6154   -0.2654   3.79156   28.5243   -0.1287   19.4278
 90  1    11.5900   0.07000   1400.00   30.0000   28.4426   0.00361   11.7838   -0.1938   2.76794   28.5371   -0.0945   26.1476
 91  1    11.7800   0.07000   1500.00   30.0000   28.4673   0.00361   11.9988   -0.2188   3.12598   28.5746   -0.1073   29.7038
 92  1    12.9500   0.07000   500.000   30.0000   27.0250   0.00301   12.7509   0.19909   2.84420   26.9513   0.07361   24.4478
 93  1    13.1200   0.07000   600.000   30.0000   27.0376   0.00301   12.9791   0.14094   2.01342   26.9853   0.05235   17.3868
 94  1    13.3300   0.07000   700.000   30.0000   27.0412   0.00301   13.2325   0.09746   1.39227   27.0049   0.03629   12.0532
 95  1    13.5600   0.07000   800.000   30.0000   27.0509   0.00301   13.4706   0.08941   1.27723   27.0175   0.03337   11.0815
 96  1    13.7700   0.07000   900.000   30.0000   27.0665   0.00301   13.6931   0.07690   1.09859   27.0377   0.02881   9.56756
 97  1    13.9800   0.07000   1000.00   30.0000   27.0629   0.00241   13.9673   0.01271   0.18161   27.0581   0.00477   1.98031
 98  1    14.2300   0.07000   1100.00   30.0000   27.0539   0.00241   14.2562   -0.0262   0.37380   27.0637   -0.0098   4.07464
 99  1    14.4700   0.07000   1200.00   30.0000   27.0418   0.00241   14.5533   -0.0833   1.18960   27.0731   -0.0312   12.9706
100  1    14.7500   0.07000   1300.00   30.0000   27.0250   0.00241   14.8635   -0.1135   1.62114   27.0675   -0.0425   17.6422
<-------------------------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    15.0100   0.07000   1400.00   30.0000   27.0238   0.00241   15.1319   -0.1219   1.74114   27.0694   -0.0457   18.9543
102  1    15.2200   0.07000   1500.00   30.0000   27.0539   0.00301   15.3167   -0.0967   1.38088   27.0903   -0.0364   12.0842
103  1    15.3600   0.07000   1600.00   30.0000   27.1225   0.00301   15.4002   -0.0402   0.57432   27.1378   -0.0153   5.07960
104  1    15.3200   0.07000   1700.00   30.0000   27.2568   0.00301   15.3167   0.00329   0.04700   27.2555   0.00128   0.42504
105  1    15.1700   0.07000   1800.00   30.0000   27.4134   0.00301   15.1863   -0.0163   0.23319   27.4199   -0.0065   2.17462
106  1    20.3900   0.07000   800.000   30.0000   24.8925   0.00542   20.5860   -0.1960   2.80026   24.9414   -0.0489   9.02273
107  1    20.1500   0.07000   500.000   30.0000   24.8052   0.00542   20.1572   -0.0072   0.10330   24.8070   -0.0018   0.32622
108  1    20.2400   0.07000   600.000   30.0000   24.8335   0.00482   20.3016   -0.0616   0.87940   24.8486   -0.0151   3.13793
109  1    20.3700   0.07000   700.000   30.0000   24.8660   0.00542   20.4308   -0.0608   0.86850   24.8811   -0.0150   2.77484
110  1    20.4400   0.07000   800.000   30.0000   24.9190   0.00482   20.4796   -0.0396   0.56526   24.9289   -0.0099   2.05118
111  1    20.5200   0.07000   900.000   30.0000   24.9991   0.00422   20.4240   0.09600   1.37141   24.9748   0.02428   5.75938
112  1    20.4600   0.07000   1000.00   30.0000   25.0900   0.00361   20.3319   0.12815   1.83067   25.0571   0.03298   9.12636
113  1    20.2500   0.07000   1100.00   30.0000   25.1822   0.00361   20.2418   0.00825   0.11785   25.1800   0.00217   0.59966
114  1    20.0300   0.07000   1200.00   30.0000   25.3165   0.00301   20.0014   0.02864   0.40910   25.3088   0.00772   2.56292
115  1    19.7400   0.07000   1300.00   30.0000   25.4881   0.00301   19.6399   0.10006   1.42937   25.4603   0.02784   9.24514
116  1    19.3700   0.07000   1400.00   30.0000   25.7031   0.00301   19.1495   0.22054   3.15056   25.6394   0.06374   21.1691
117  1    19.0100   0.07000   1500.00   30.0000   25.9151   0.00301   18.6997   0.31029   4.43265   25.8219   0.09315   30.9343
118  1    18.5500   0.07000   1600.00   30.0000   26.1361   0.00361   18.2499   0.30006   4.28655   26.0421   0.09395   26.0019
119  1    18.0600   0.07000   1700.00   30.0000   26.3890   0.00422   17.7332   0.32677   4.66807   26.2818   0.10721   25.4333
120  1    17.4500   0.07000   1800.00   30.0000   26.6642   0.00361   17.1893   0.26074   3.72489   26.5740   0.09026   24.9799
121  1    14.8100   0.07000   500.000   30.0000   26.3944   0.00181   14.5480   0.26197   3.74238   26.3084   0.08599   47.5992
122  1    16.2300   0.07000   1300.00   30.0000   26.5865   0.00241   16.0881   0.14193   2.02757   26.5380   0.04856   20.1602

EOSFIT-7.6>fit
     122 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:  36.2500           :Reference pressure volume: units are cm^3/mol
      K0:  19.8900           :Bulk modulus: units are GPa
      Kp:  5.00000           :dK/dP: dimensionless
     Kpp: -0.2961            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  177.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  1.96000           :Gruneisen parameter at Tref,Pref
       q:  1.05000           :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        36.25000  [NOT REFINED]
 K0      1        19.92255          0.03255          0.08679           0.38
 Kp      1         4.99503         -0.00497          0.02409          -0.21
 Kpp     0        -0.29484  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.96398          0.00398          0.04259           0.09
 q       1         1.05933          0.00933          0.09061           0.10
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.52 (AND ESD'S RESCALED BY W-CHI^2)


   RESULTS FROM CYCLE  2
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        36.25000  [NOT REFINED]
 K0      1        19.92225         -0.00030          0.08602          -0.00
 Kp      1         4.99512          0.00009          0.02382           0.00
 Kpp     0        -0.29486  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.96400          0.00001          0.04225           0.00
 q       1         1.05928         -0.00004          0.08973          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.47 (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        36.25000  [NOT REFINED]
 K0      1        19.92225         -0.00030          0.08602          -0.00
 Kp      1         4.99512          0.00009          0.02382           0.00
 Kpp     0        -0.29486  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.96400          0.00001          0.04225           0.00
 q       1         1.05928         -0.00004          0.08973          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.47 (AND ESD'S RESCALED BY W-CHI^2)

 INPUT <CR> TO CONTINUE

  THE 122 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    0.54000   0.00000   300.000   0.00000   35.3469   0.00301   0.53532   0.00468       INF   35.3396   0.00732   2.43116   271457.03
  2  1    1.46000   0.03000   300.000   0.00000   34.0613   0.00289   1.44986   0.01014   0.33800   34.0485   0.01282   4.43544   1104.6779
  3  1    2.64000   0.04000   300.000   0.00000   32.6838   0.00379   2.67382   -0.0338   0.84539   32.7179   -0.0341   8.98085   619.49249
  4  1    4.15000   0.06000   300.000   0.00000   31.3146   0.00319   4.20770   -0.0577   0.96165   31.3608   -0.0461   14.4467   276.54538
  5  1    6.03000   0.06000   300.000   0.00000   29.9937   0.00422   6.07104   -0.0410   0.68405   30.0197   -0.0261   6.18062   274.40320
  6  1    7.83000   0.06000   300.000   0.00000   28.9302   0.00283   7.91694   -0.0869   1.44895   28.9760   -0.0458   16.1980   275.55475
  7  1    10.0100   0.03000   300.000   0.00000   27.9112   0.00265   10.0454   -0.0354   1.18004   27.9267   -0.0155   5.85073   1067.7401
  8  1    11.8400   0.06000   300.000   0.00000   27.1534   0.00289   11.9040   -0.0640   1.06597   27.1778   -0.0244   8.44132   273.39917
  9  1    13.4900   0.06000   300.000   0.00000   26.5829   0.00355   13.4847   0.00526   0.08764   26.5811   0.00180   0.50783   269.71042
 10  1    14.8600   0.03000   300.000   0.00000   26.1094   0.00295   14.9311   -0.0711   2.37134   26.1317   -0.0223   7.56709   1011.2374
 11  1    16.9700   0.06000   300.000   0.00000   25.4952   0.00223   17.0115   -0.0415   0.69249   25.5067   -0.0116   5.20024   272.94012
 12  1    18.7100   0.08000   300.000   0.00000   25.0511   0.00169   18.6757   0.03433   0.42913   25.0424   0.00877   5.20104   155.19389
 13  1    20.1900   0.00000   300.000   0.00000   24.6826   0.00193   20.1703   0.01972       INF   24.6779   0.00468   2.43085   15290.022
 14  1    22.4900   0.03000   300.000   0.00000   24.1595   0.00229   22.4867   0.00333   0.11094   24.1588   0.00072   0.31339   986.02954
 15  1    24.3400   0.03000   300.000   0.00000   23.7741   0.00235   24.3543   -0.0143   0.47811   23.7770   -0.0028   1.21167   961.59949
 16  1    26.0500   0.02000   300.000   0.00000   23.4336   0.00271   26.1301   -0.0801   4.00486   23.4485   -0.0149   5.48493   1629.3561
 17  1    2.43000   0.07000   500.000   30.0000   33.5903   0.00361   2.36770   0.06230   0.89002   33.5177   0.07259   20.0897   88.319656
 18  1    2.66000   0.07000   600.000   30.0000   33.6499   0.00361   2.58432   0.07568   1.08109   33.5609   0.08900   24.6326   88.072365
 19  1    2.83000   0.07000   700.000   30.0000   33.7595   0.00361   2.76049   0.06951   0.99294   33.6762   0.08337   23.0722   87.908264
 20  1    2.97000   0.07000   800.000   30.0000   33.9107   0.00422   2.90515   0.06485   0.92637   33.8308   0.07986   18.9436   87.764122
 21  1    2.96000   0.07000   900.000   30.0000   34.3087   0.00361   2.86316   0.09684   1.38343   34.1817   0.12704   35.1604   87.653824
 22  1    2.95000   0.07000   1000.00   30.0000   34.6761   0.00422   2.86343   0.08657   1.23673   34.5552   0.12091   28.6815   87.529037
 23  1    2.92000   0.07000   1100.00   30.0000   35.0434   0.00542   2.88015   0.03986   0.56936   34.9839   0.05953   10.9832   87.398514
 24  1    2.89000   0.07000   1200.00   30.0000   35.5927   0.00964   2.80012   0.08988   1.28398   35.4465   0.14615   15.1682   87.115616
 25  1    5.03000   0.07000   500.000   30.0000   31.1176   0.00422   4.98549   0.04451   0.63586   31.0834   0.03421   8.11625   88.851906
 26  1    5.28000   0.07000   600.000   30.0000   31.1411   0.00422   5.22052   0.05948   0.84975   31.0952   0.04588   10.8844   88.542473
 27  1    5.40000   0.07000   700.000   30.0000   31.2531   0.00422   5.34347   0.05653   0.80758   31.2086   0.04449   10.5532   88.337372
 28  1    5.48000   0.07000   800.000   30.0000   31.3958   0.00422   5.43170   0.04830   0.69002   31.3568   0.03899   9.24966   88.194633
 29  1    5.54000   0.07000   900.000   30.0000   31.5765   0.00422   5.47916   0.06084   0.86912   31.5259   0.05063   12.0097   88.085442
 30  1    5.56000   0.07000   1000.00   30.0000   31.8077   0.00482   5.47532   0.08468   1.20976   31.7345   0.07321   15.1960   87.938591
 31  1    5.54000   0.07000   1100.00   30.0000   32.0751   0.00602   5.44260   0.09740   1.39144   31.9871   0.08807   14.6247   87.740189
 32  1    5.49000   0.07000   1200.00   30.0000   32.3413   0.00602   5.42491   0.06509   0.92988   32.2796   0.06175   10.2542   87.686005
 33  1    5.44000   0.07000   1300.00   30.0000   32.6394   0.00723   5.38833   0.05167   0.73812   32.5878   0.05164   7.14526   87.511917
 34  1    5.44000   0.07000   1400.00   30.0000   32.9682   0.00843   5.33812   0.10188   1.45544   32.8610   0.10720   12.7146   87.345383
 35  1    8.34000   0.07000   500.000   30.0000   28.8906   0.00482   8.51376   -0.1738   2.48235   28.9821   -0.0915   18.9867   89.129044
 36  1    8.30000   0.07000   600.000   30.0000   29.1339   0.00422   8.32158   -0.0216   0.30828   29.1457   -0.0118   2.79576   88.870033
 37  1    8.30000   0.07000   700.000   30.0000   29.3477   0.00361   8.20183   0.09817   1.40236   29.2923   0.05537   15.3246   88.732933
 38  1    8.29000   0.07000   800.000   30.0000   29.5669   0.00361   8.08797   0.20203   2.88608   29.4491   0.11785   32.6145   88.553123
 39  1    8.25000   0.07000   900.000   30.0000   29.7753   0.00361   8.00683   0.24317   3.47388   29.6284   0.14683   40.6350   88.423950
 40  1    8.17000   0.07000   1000.00   30.0000   29.9493   0.00301   7.99291   0.17709   2.52984   29.8387   0.11065   36.7462   88.409058
 41  1    8.10000   0.07000   1100.00   30.0000   30.1950   0.00301   7.87833   0.22167   3.16677   30.0508   0.14422   47.8954   88.318214
 42  1    7.98000   0.07000   1200.00   30.0000   30.4907   0.00361   7.70783   0.27217   3.88812   30.3049   0.18584   51.4321   88.166786
 43  1    7.77000   0.07000   1300.00   30.0000   30.8291   0.00422   7.50139   0.26861   3.83724   30.6347   0.19445   46.1266   88.023849
 44  1    7.53000   0.07000   1400.00   30.0000   31.2374   0.00542   7.23343   0.29657   4.23670   31.0077   0.22978   42.3961   87.807182
 45  1    7.29000   0.07000   1500.00   30.0000   31.6331   0.00542   7.01725   0.27275   3.89636   31.4067   0.22638   41.7687   87.758446
 46  1    6.95000   0.07000   1600.00   30.0000   32.0462   0.00723   6.81403   0.13597   1.94239   31.9239   0.12228   16.9204   87.493668
 47  1    6.71000   0.07000   1700.00   30.0000   32.4979   0.00903   6.60397   0.10603   1.51469   32.3947   0.10321   11.4252   87.233704
 48  1    5.93000   0.07000   500.000   30.0000   30.3654   0.00422   6.02738   -0.0974   1.39110   30.4317   -0.0663   15.7266   89.012596
 49  1    6.18000   0.07000   600.000   30.0000   30.3678   0.00422   6.28865   -0.1087   1.55219   30.4419   -0.0741   17.5745   88.681549
 50  1    6.32000   0.07000   700.000   30.0000   30.3691   0.00422   6.55245   -0.2324   3.32068   30.5288   -0.1598   37.9067   88.479965
<-------------------------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    6.53000   0.07000   800.000   30.0000   30.3691   0.00422   6.81849   -0.2885   4.12127   30.5681   -0.1991   47.2283   88.348679
 52  1    6.76000   0.07000   900.000   30.0000   30.3745   0.00422   7.07686   -0.3169   4.52653   30.5938   -0.2194   52.0348   88.256035
 53  1    7.03000   0.07000   1000.00   30.0000   30.3715   0.00422   7.34787   -0.3179   4.54093   30.5915   -0.2200   52.1995   88.190826
 54  1    7.38000   0.07000   1100.00   30.0000   30.3432   0.00422   7.65636   -0.2764   3.94801   30.5331   -0.1900   45.0601   88.144341
 55  1    7.71000   0.07000   1200.00   30.0000   30.3130   0.00422   7.96783   -0.2578   3.68326   30.4892   -0.1761   41.7861   88.112465
 56  1    8.04000   0.07000   1300.00   30.0000   30.2938   0.00422   8.26341   -0.2234   3.19158   30.4456   -0.1519   36.0245   88.085274
 57  1    8.35000   0.07000   1400.00   30.0000   30.2938   0.00422   8.53038   -0.1804   2.57686   30.4161   -0.1224   29.0240   88.060760
 58  1    8.73000   0.07000   1500.00   30.0000   30.3474   0.00422   8.71795   0.01205   0.17211   30.3392   0.00816   1.93563   88.036217
 59  1    8.71000   0.07000   1600.00   30.0000   30.4793   0.00422   8.79273   -0.0827   1.18181   30.5369   -0.0577   13.6815   88.008476
 60  1    8.71000   0.07000   1700.00   30.0000   30.6665   0.00422   8.79440   -0.0844   1.20574   30.7274   -0.0608   14.4299   87.975311
 61  1    8.62000   0.07000   1800.00   30.0000   30.9791   0.00482   8.63758   -0.0176   0.25108   30.9924   -0.0133   2.76539   87.855400
 62  1    7.04000   0.07000   500.000   30.0000   29.6464   0.00301   7.15920   -0.1192   1.70286   29.7180   -0.0716   23.7802   89.349167
 63  1    7.32000   0.07000   600.000   30.0000   29.6693   0.00301   7.38520   -0.0652   0.93147   29.7085   -0.0392   13.0293   88.986137
 64  1    7.52000   0.07000   700.000   30.0000   29.6789   0.00301   7.63422   -0.1142   1.63174   29.7480   -0.0691   22.9326   88.766289
 65  1    7.78000   0.07000   800.000   30.0000   29.6819   0.00301   7.89479   -0.1148   1.63984   29.7514   -0.0695   23.0682   88.622177
 66  1    8.03000   0.07000   900.000   30.0000   29.6873   0.00301   8.15169   -0.1217   1.73844   29.7611   -0.0738   24.4998   88.522499
 67  1    8.26000   0.07000   1000.00   30.0000   29.6699   0.00301   8.44687   -0.1869   2.66953   29.7833   -0.1134   37.6501   88.455048
 68  1    8.59000   0.07000   1100.00   30.0000   29.6392   0.00301   8.76442   -0.1744   2.49175   29.7444   -0.1052   34.9415   88.408257
 69  1    8.95000   0.07000   1200.00   30.0000   29.5952   0.00301   9.10466   -0.1547   2.20942   29.6877   -0.0925   30.7196   88.374275
 70  1    9.32000   0.07000   1300.00   30.0000   29.5506   0.00361   9.44654   -0.1265   1.80764   29.6256   -0.0750   20.7569   88.260262
 71  1    9.66000   0.07000   1400.00   30.0000   29.5157   0.00361   9.77256   -0.1126   1.60806   29.5820   -0.0663   18.3419   88.238792
 72  1    10.0200   0.07000   1500.00   30.0000   29.4844   0.00422   10.0928   -0.0728   1.03956   29.5269   -0.0425   10.0908   88.114357
 73  1    10.3000   0.07000   1600.00   30.0000   29.4730   0.00422   10.3790   -0.0790   1.12925   29.5191   -0.0461   10.9473   88.098656
 74  1    10.4700   0.07000   1700.00   30.0000   29.4681   0.00422   10.6540   -0.1840   2.62854   29.5761   -0.1079   25.6043   88.084129
 75  1    10.6100   0.07000   1800.00   30.0000   29.5482   0.00422   10.7838   -0.1738   2.48349   29.6517   -0.1034   24.5374   88.069359
 76  1    12.5300   0.07000   500.000   30.0000   26.9575   0.00723   12.9444   -0.4144   5.92052   27.1120   -0.1545   21.3772   87.461647
 77  1    12.9200   0.07000   700.000   30.0000   27.0310   0.00542   13.2707   -0.3507   5.01001   27.1633   -0.1323   24.4169   88.056870
 78  1    13.1700   0.07000   900.000   30.0000   27.1406   0.00422   13.5075   -0.3375   4.82118   27.2706   -0.1300   30.8388   88.404396
 79  1    13.6100   0.07000   1100.00   30.0000   27.2183   0.00361   13.8341   -0.2241   3.20097   27.3055   -0.0873   24.1490   88.498398
 80  1    13.4700   0.07000   1300.00   30.0000   27.5916   0.00301   13.4305   0.03953   0.56471   27.5753   0.01634   5.42736   88.588455
 81  1    13.1400   0.07000   1400.00   30.0000   27.8422   0.00361   13.1045   0.03546   0.50661   27.8268   0.01535   4.24936   88.370010
 82  1    12.9700   0.07000   1500.00   30.0000   28.1138   0.00422   12.7590   0.21096   3.01375   28.0185   0.09528   22.6031   88.158218
 83  1    12.6200   0.07000   1600.00   30.0000   28.3197   0.00602   12.5813   0.03875   0.55355   28.3014   0.01830   3.03864   87.505852
 84  1    12.2400   0.07000   1700.00   30.0000   28.6678   0.00602   12.1342   0.10577   1.51093   28.6148   0.05303   8.80584   87.560745
 85  1    9.89000   0.07000   500.000   30.0000   28.1806   0.00361   9.96376   -0.0738   1.05371   28.2146   -0.0340   9.41141   89.561722
 86  1    10.2500   0.07000   700.000   30.0000   28.2511   0.00361   10.3385   -0.0885   1.26380   28.2924   -0.0414   11.4511   88.883850
 87  1    10.6100   0.07000   900.000   30.0000   28.3336   0.00361   10.6923   -0.0823   1.17593   28.3727   -0.0391   10.8192   88.596489
 88  1    10.9600   0.07000   1100.00   30.0000   28.4034   0.00422   11.0765   -0.1165   1.66359   28.4596   -0.0561   13.3146   88.291618
 89  1    11.3500   0.07000   1300.00   30.0000   28.3956   0.00662   11.6242   -0.2742   3.91712   28.5286   -0.1330   20.0722   87.335548
 90  1    11.5900   0.07000   1400.00   30.0000   28.4426   0.00361   11.7925   -0.2025   2.89225   28.5413   -0.0987   27.3242   88.336838
 91  1    11.7800   0.07000   1500.00   30.0000   28.4673   0.00361   12.0075   -0.2275   3.24932   28.5788   -0.1116   30.8810   88.315735
 92  1    12.9500   0.07000   500.000   30.0000   27.0250   0.00301   12.7620   0.18798   2.68538   26.9555   0.06949   23.0796   89.962433
 93  1    13.1200   0.07000   600.000   30.0000   27.0376   0.00301   12.9900   0.13002   1.85743   26.9893   0.04829   16.0376   89.489899
 94  1    13.3300   0.07000   700.000   30.0000   27.0412   0.00301   13.2433   0.08673   1.23896   27.0089   0.03229   10.7230   89.201309
 95  1    13.5600   0.07000   800.000   30.0000   27.0509   0.00301   13.4811   0.07887   1.12664   27.0214   0.02944   9.77596   89.014236
 96  1    13.7700   0.07000   900.000   30.0000   27.0665   0.00301   13.7034   0.06656   0.95083   27.0416   0.02493   8.28040   88.882500
 97  1    13.9800   0.07000   1000.00   30.0000   27.0629   0.00241   13.9775   0.00254   0.03631   27.0619   0.00095   0.39590   88.972839
 98  1    14.2300   0.07000   1100.00   30.0000   27.0539   0.00241   14.2662   -0.0362   0.51659   27.0674   -0.0136   5.63054   88.903442
 99  1    14.4700   0.07000   1200.00   30.0000   27.0418   0.00241   14.5631   -0.0931   1.32997   27.0767   -0.0349   14.5011   88.852623
100  1    14.7500   0.07000   1300.00   30.0000   27.0250   0.00241   14.8731   -0.1231   1.75904   27.0711   -0.0461   19.1451   88.813156
<-------------------------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    15.0100   0.07000   1400.00   30.0000   27.0238   0.00241   15.1414   -0.1314   1.87646   27.0730   -0.0492   20.4286   88.781578
102  1    15.2200   0.07000   1500.00   30.0000   27.0539   0.00301   15.3259   -0.1059   1.51339   27.0937   -0.0399   13.2460   88.566620
103  1    15.3600   0.07000   1600.00   30.0000   27.1225   0.00301   15.4093   -0.0493   0.70391   27.1413   -0.0188   6.22867   88.543098
104  1    15.3200   0.07000   1700.00   30.0000   27.2568   0.00301   15.3256   -0.0056   0.07959   27.2590   -0.0022   0.72023   88.518181
105  1    15.1700   0.07000   1800.00   30.0000   27.4134   0.00301   15.1950   -0.0250   0.35706   27.4234   -0.0100   3.33129   88.494720
106  1    20.3900   0.07000   800.000   30.0000   24.8925   0.00542   20.5988   -0.2088   2.98285   24.9446   -0.0521   9.61289   86.469322
107  1    20.1500   0.07000   500.000   30.0000   24.8052   0.00542   20.1713   -0.0213   0.30368   24.8104   -0.0052   0.95756   87.484711
108  1    20.2400   0.07000   600.000   30.0000   24.8335   0.00482   20.3152   -0.0752   1.07381   24.8520   -0.0185   3.83314   87.739548
109  1    20.3700   0.07000   700.000   30.0000   24.8660   0.00542   20.4440   -0.0740   1.05689   24.8843   -0.0183   3.37697   86.666496
110  1    20.4400   0.07000   800.000   30.0000   24.9190   0.00482   20.4923   -0.0523   0.74746   24.9321   -0.0131   2.71352   87.246506
111  1    20.5200   0.07000   900.000   30.0000   24.9991   0.00422   20.4363   0.08369   1.19561   24.9779   0.02117   5.02277   87.811401
112  1    20.4600   0.07000   1000.00   30.0000   25.0900   0.00361   20.3437   0.11629   1.66122   25.0601   0.02993   8.28283   88.291061
113  1    20.2500   0.07000   1100.00   30.0000   25.1822   0.00361   20.2532   -0.0032   0.04553   25.1830  -0.00084   0.23226   88.237923
114  1    20.0300   0.07000   1200.00   30.0000   25.3165   0.00301   20.0124   0.01764   0.25193   25.3117   0.00476   1.57918   88.642616
115  1    19.7400   0.07000   1300.00   30.0000   25.4881   0.00301   19.6505   0.08949   1.27836   25.4632   0.02490   8.26963   88.610252
116  1    19.3700   0.07000   1400.00   30.0000   25.7031   0.00301   19.1596   0.21039   3.00563   25.6423   0.06082   20.1993   88.590584
117  1    19.0100   0.07000   1500.00   30.0000   25.9151   0.00301   18.7095   0.30053   4.29322   25.8248   0.09023   29.9670   88.575241
118  1    18.5500   0.07000   1600.00   30.0000   26.1361   0.00361   18.2593   0.29065   4.15216   26.0451   0.09102   25.1911   88.246490
119  1    18.0600   0.07000   1700.00   30.0000   26.3890   0.00422   17.7423   0.31768   4.53829   26.2848   0.10426   24.7320   87.926048
120  1    17.4500   0.07000   1800.00   30.0000   26.6642   0.00361   17.1981   0.25194   3.59917   26.5770   0.08723   24.1417   88.270706
121  1    14.8100   0.07000   500.000   30.0000   26.3944   0.00181   14.5600   0.25000   3.57141   26.3124   0.08206   45.4223   90.501137
122  1    16.2300   0.07000   1300.00   30.0000   26.5865   0.00241   16.0980   0.13200   1.88574   26.5414   0.04517   18.7516   88.863052

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 122 DATA:
      CHI^2 (WEIGHTED)=   2.4679
      MAXIMUM DELTA-PRESSURE=-0.414


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      K0        Kp        Gamm0     q
    K0   :     100.0     -99.3     -19.4       1.0
    Kp   :     -99.3     100.0      20.0       0.6
    Gamm0:     -19.4      20.0     100.0      92.2
    q    :       1.0       0.6      92.2     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     K0        Kp        Gamm0     q
    K0   :   0.00740  -0.00203  -0.00070   0.00008
    Kp   :  -0.00203   0.00057   0.00020   0.00001
    Gamm0:  -0.00070   0.00020   0.00178   0.00349
    q    :   0.00008   0.00001   0.00349   0.00805

*****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
     122 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:  36.2500           :Reference pressure volume: units are cm^3/mol
      K0:  19.92(9)          :Bulk modulus: units are GPa
      Kp:  5.00(2)           :dK/dP: dimensionless
     Kpp: -0.2949            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  177.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  1.96(4)           :Gruneisen parameter at Tref,Pref
       q:  1.06(9)           :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        36.25000  [NOT REFINED]
 K0      1        19.92226          0.00001          0.08601           0.00
 Kp      1         4.99511         -0.00000          0.02382          -0.00
 Kpp     0        -0.29486  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.96401          0.00001          0.04225           0.00
 q       1         1.05931          0.00003          0.08973           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.47 (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        36.25000  [NOT REFINED]
 K0      1        19.92226          0.00001          0.08601           0.00
 Kp      1         4.99511         -0.00000          0.02382          -0.00
 Kpp     0        -0.29486  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.96401          0.00001          0.04225           0.00
 q       1         1.05931          0.00003          0.08973           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.47 (AND ESD'S RESCALED BY W-CHI^2)

 INPUT <CR> TO CONTINUE

  THE 122 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    0.54000   0.00000   300.000   0.00000   35.3469   0.00301   0.53533   0.00467       INF   35.3396   0.00732   2.43116   271473.88
  2  1    1.46000   0.03000   300.000   0.00000   34.0613   0.00289   1.44986   0.01014   0.33798   34.0485   0.01282   4.43544   1104.6779
  3  1    2.64000   0.04000   300.000   0.00000   32.6838   0.00379   2.67382   -0.0338   0.84541   32.7179   -0.0341   8.98185   619.49390
  4  1    4.15000   0.06000   300.000   0.00000   31.3146   0.00319   4.20770   -0.0577   0.96166   31.3608   -0.0461   14.4485   276.54538
  5  1    6.03000   0.06000   300.000   0.00000   29.9937   0.00422   6.07104   -0.0410   0.68406   30.0197   -0.0261   6.18062   274.40271
  6  1    7.83000   0.06000   300.000   0.00000   28.9302   0.00283   7.91694   -0.0869   1.44895   28.9760   -0.0458   16.1987   275.55396
  7  1    10.0100   0.03000   300.000   0.00000   27.9112   0.00265   10.0454   -0.0354   1.18004   27.9267   -0.0155   5.85145   1067.7401
  8  1    11.8400   0.06000   300.000   0.00000   27.1534   0.00289   11.9040   -0.0640   1.06597   27.1778   -0.0244   8.44132   273.39700
  9  1    13.4900   0.06000   300.000   0.00000   26.5829   0.00355   13.4847   0.00526   0.08761   26.5811   0.00180   0.50783   269.71042
 10  1    14.8600   0.03000   300.000   0.00000   26.1094   0.00295   14.9311   -0.0711   2.37131   26.1317   -0.0223   7.56709   1011.2006
 11  1    16.9700   0.06000   300.000   0.00000   25.4952   0.00223   17.0115   -0.0415   0.69249   25.5067   -0.0116   5.20110   272.93787
 12  1    18.7100   0.08000   300.000   0.00000   25.0511   0.00169   18.6757   0.03433   0.42918   25.0424   0.00877   5.20104   155.19330
 13  1    20.1900   0.00000   300.000   0.00000   24.6826   0.00193   20.1703   0.01972       INF   24.6779   0.00468   2.43085   15290.022
 14  1    22.4900   0.03000   300.000   0.00000   24.1595   0.00229   22.4867   0.00333   0.11113   24.1588   0.00072   0.31339   985.98993
 15  1    24.3400   0.03000   300.000   0.00000   23.7741   0.00235   24.3543   -0.0143   0.47792   23.7770   -0.0028   1.21167   961.59949
 16  1    26.0500   0.02000   300.000   0.00000   23.4336   0.00271   26.1301   -0.0801   4.00467   23.4485   -0.0149   5.48493   1629.3561
 17  1    2.43000   0.07000   500.000   30.0000   33.5903   0.00361   2.36770   0.06230   0.88999   33.5177   0.07259   20.0887   88.318756
 18  1    2.66000   0.07000   600.000   30.0000   33.6499   0.00361   2.58433   0.07567   1.08104   33.5609   0.08900   24.6315   88.071190
 19  1    2.83000   0.07000   700.000   30.0000   33.7595   0.00361   2.76050   0.06950   0.99287   33.6762   0.08336   23.0711   87.907104
 20  1    2.97000   0.07000   800.000   30.0000   33.9107   0.00422   2.90516   0.06484   0.92629   33.8308   0.07985   18.9409   87.763504
 21  1    2.96000   0.07000   900.000   30.0000   34.3087   0.00361   2.86317   0.09683   1.38334   34.1817   0.12704   35.1583   87.653206
 22  1    2.95000   0.07000   1000.00   30.0000   34.6761   0.00422   2.86344   0.08656   1.23661   34.5552   0.12089   28.6779   87.528137
 23  1    2.92000   0.07000   1100.00   30.0000   35.0434   0.00542   2.88016   0.03984   0.56921   34.9839   0.05951   10.9804   87.397354
 24  1    2.89000   0.07000   1200.00   30.0000   35.5927   0.00964   2.80013   0.08987   1.28380   35.4465   0.14614   15.1667   87.115326
 25  1    5.03000   0.07000   500.000   30.0000   31.1176   0.00422   4.98549   0.04451   0.63584   31.0834   0.03421   8.11534   88.850670
 26  1    5.28000   0.07000   600.000   30.0000   31.1411   0.00422   5.22052   0.05948   0.84972   31.0952   0.04589   10.8849   88.541237
 27  1    5.40000   0.07000   700.000   30.0000   31.2531   0.00422   5.34347   0.05653   0.80754   31.2086   0.04449   10.5532   88.335670
 28  1    5.48000   0.07000   800.000   30.0000   31.3958   0.00422   5.43170   0.04830   0.68998   31.3568   0.03899   9.24876   88.193375
 29  1    5.54000   0.07000   900.000   30.0000   31.5765   0.00422   5.47917   0.06083   0.86907   31.5259   0.05062   12.0092   88.084145
 30  1    5.56000   0.07000   1000.00   30.0000   31.8077   0.00482   5.47532   0.08468   1.20969   31.7345   0.07321   15.1952   87.937325
 31  1    5.54000   0.07000   1100.00   30.0000   32.0751   0.00602   5.44260   0.09740   1.39136   31.9871   0.08807   14.6240   87.739502
 32  1    5.49000   0.07000   1200.00   30.0000   32.3413   0.00602   5.42492   0.06508   0.92978   32.2796   0.06174   10.2529   87.684837
 33  1    5.44000   0.07000   1300.00   30.0000   32.6394   0.00723   5.38834   0.05166   0.73800   32.5878   0.05163   7.14421   87.511330
 34  1    5.44000   0.07000   1400.00   30.0000   32.9682   0.00843   5.33813   0.10187   1.45530   32.8610   0.10718   12.7128   87.344788
 35  1    8.34000   0.07000   500.000   30.0000   28.8906   0.00482   8.51376   -0.1738   2.48236   28.9821   -0.0915   18.9867   89.126785
 36  1    8.30000   0.07000   600.000   30.0000   29.1339   0.00422   8.32158   -0.0216   0.30828   29.1457   -0.0118   2.79530   88.868729
 37  1    8.30000   0.07000   700.000   30.0000   29.3477   0.00361   8.20184   0.09816   1.40235   29.2923   0.05537   15.3246   88.730644
 38  1    8.29000   0.07000   800.000   30.0000   29.5669   0.00361   8.08797   0.20202   2.88606   29.4491   0.11784   32.6140   88.550735
 39  1    8.25000   0.07000   900.000   30.0000   29.7753   0.00361   8.00683   0.24317   3.47385   29.6284   0.14682   40.6339   88.422852
 40  1    8.17000   0.07000   1000.00   30.0000   29.9493   0.00301   7.99291   0.17709   2.52980   29.8387   0.11064   36.7455   88.407822
 41  1    8.10000   0.07000   1100.00   30.0000   30.1950   0.00301   7.87833   0.22167   3.16673   30.0508   0.14421   47.8948   88.317551
 42  1    7.98000   0.07000   1200.00   30.0000   30.4907   0.00361   7.70783   0.27217   3.88808   30.3049   0.18583   51.4305   88.166107
 43  1    7.77000   0.07000   1300.00   30.0000   30.8291   0.00422   7.50140   0.26860   3.83719   30.6347   0.19444   46.1261   88.021439
 44  1    7.53000   0.07000   1400.00   30.0000   31.2374   0.00542   7.23344   0.29656   4.23662   31.0077   0.22978   42.3951   87.806007
 45  1    7.29000   0.07000   1500.00   30.0000   31.6331   0.00542   7.01726   0.27274   3.89626   31.4067   0.22638   41.7673   87.757271
 46  1    6.95000   0.07000   1600.00   30.0000   32.0462   0.00723   6.81404   0.13596   1.94225   31.9239   0.12227   16.9199   87.491905
 47  1    6.71000   0.07000   1700.00   30.0000   32.4979   0.00903   6.60398   0.10602   1.51454   32.3947   0.10319   11.4236   87.232079
 48  1    5.93000   0.07000   500.000   30.0000   30.3654   0.00422   6.02738   -0.0974   1.39112   30.4317   -0.0663   15.7266   89.011490
 49  1    6.18000   0.07000   600.000   30.0000   30.3678   0.00422   6.28866   -0.1087   1.55222   30.4419   -0.0741   17.5749   88.679619
 50  1    6.32000   0.07000   700.000   30.0000   30.3691   0.00422   6.55245   -0.2324   3.32071   30.5289   -0.1598   37.9076   88.478775
<-------------------------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    6.53000   0.07000   800.000   30.0000   30.3691   0.00422   6.81849   -0.2885   4.12130   30.5681   -0.1991   47.2279   88.346359
 52  1    6.76000   0.07000   900.000   30.0000   30.3745   0.00422   7.07686   -0.3169   4.52657   30.5938   -0.2194   52.0357   88.254211
 53  1    7.03000   0.07000   1000.00   30.0000   30.3715   0.00422   7.34787   -0.3179   4.54097   30.5915   -0.2200   52.1991   88.188957
 54  1    7.38000   0.07000   1100.00   30.0000   30.3432   0.00422   7.65636   -0.2764   3.94804   30.5331   -0.1900   45.0610   88.143745
 55  1    7.71000   0.07000   1200.00   30.0000   30.3130   0.00422   7.96783   -0.2578   3.68331   30.4892   -0.1762   41.7866   88.109596
 56  1    8.04000   0.07000   1300.00   30.0000   30.2938   0.00422   8.26341   -0.2234   3.19163   30.4456   -0.1519   36.0258   88.084084
 57  1    8.35000   0.07000   1400.00   30.0000   30.2938   0.00422   8.53038   -0.1804   2.57692   30.4161   -0.1224   29.0245   88.060661
 58  1    8.73000   0.07000   1500.00   30.0000   30.3474   0.00422   8.71795   0.01204   0.17207   30.3392   0.00815   1.93427   88.036034
 59  1    8.71000   0.07000   1600.00   30.0000   30.4793   0.00422   8.79273   -0.0827   1.18187   30.5369   -0.0577   13.6824   88.006027
 60  1    8.71000   0.07000   1700.00   30.0000   30.6665   0.00422   8.79441   -0.0844   1.20581   30.7274   -0.0608   14.4312   87.972946
 61  1    8.62000   0.07000   1800.00   30.0000   30.9791   0.00482   8.63758   -0.0176   0.25117   30.9924   -0.0133   2.76539   87.855309
 62  1    7.04000   0.07000   500.000   30.0000   29.6464   0.00301   7.15920   -0.1192   1.70288   29.7180   -0.0716   23.7789   89.347359
 63  1    7.32000   0.07000   600.000   30.0000   29.6693   0.00301   7.38520   -0.0652   0.93149   29.7085   -0.0392   13.0281   88.984413
 64  1    7.52000   0.07000   700.000   30.0000   29.6789   0.00301   7.63422   -0.1142   1.63177   29.7480   -0.0691   22.9326   88.765053
 65  1    7.78000   0.07000   800.000   30.0000   29.6819   0.00301   7.89479   -0.1148   1.63985   29.7514   -0.0695   23.0682   88.621017
 66  1    8.03000   0.07000   900.000   30.0000   29.6873   0.00301   8.15169   -0.1217   1.73847   29.7611   -0.0738   24.4985   88.521378
 67  1    8.26000   0.07000   1000.00   30.0000   29.6699   0.00301   8.44687   -0.1869   2.66955   29.7833   -0.1134   37.6507   88.453850
 68  1    8.59000   0.07000   1100.00   30.0000   29.6392   0.00301   8.76442   -0.1744   2.49177   29.7444   -0.1052   34.9408   88.405960
 69  1    8.95000   0.07000   1200.00   30.0000   29.5952   0.00301   9.10466   -0.1547   2.20945   29.6877   -0.0925   30.7202   88.373085
 70  1    9.32000   0.07000   1300.00   30.0000   29.5506   0.00361   9.44654   -0.1265   1.80766   29.6256   -0.0750   20.7575   88.256691
 71  1    9.66000   0.07000   1400.00   30.0000   29.5157   0.00361   9.77257   -0.1126   1.60809   29.5820   -0.0663   18.3419   88.236320
 72  1    10.0200   0.07000   1500.00   30.0000   29.4844   0.00422   10.0928   -0.0728   1.03959   29.5269   -0.0425   10.0912   88.113174
 73  1    10.3000   0.07000   1600.00   30.0000   29.4730   0.00422   10.3790   -0.0790   1.12927   29.5191   -0.0461   10.9473   88.097687
 74  1    10.4700   0.07000   1700.00   30.0000   29.4681   0.00422   10.6540   -0.1840   2.62857   29.5761   -0.1079   25.6052   88.080681
 75  1    10.6100   0.07000   1800.00   30.0000   29.5482   0.00422   10.7838   -0.1738   2.48352   29.6517   -0.1034   24.5361   88.064720
 76  1    12.5300   0.07000   500.000   30.0000   26.9575   0.00723   12.9444   -0.4144   5.92051   27.1120   -0.1545   21.3772   87.458786
 77  1    12.9200   0.07000   700.000   30.0000   27.0310   0.00542   13.2707   -0.3507   5.00998   27.1633   -0.1323   24.4169   88.054741
 78  1    13.1700   0.07000   900.000   30.0000   27.1406   0.00422   13.5075   -0.3375   4.82115   27.2706   -0.1300   30.8379   88.402367
 79  1    13.6100   0.07000   1100.00   30.0000   27.2183   0.00361   13.8341   -0.2241   3.20091   27.3055   -0.0873   24.1485   88.496017
 80  1    13.4700   0.07000   1300.00   30.0000   27.5916   0.00301   13.4305   0.03953   0.56477   27.5753   0.01635   5.42863   88.587151
 81  1    13.1400   0.07000   1400.00   30.0000   27.8422   0.00361   13.1045   0.03547   0.50666   27.8268   0.01535   4.24936   88.367760
 82  1    12.9700   0.07000   1500.00   30.0000   28.1138   0.00422   12.7590   0.21097   3.01379   28.0185   0.09529   22.6045   88.157173
 83  1    12.6200   0.07000   1600.00   30.0000   28.3197   0.00602   12.5812   0.03875   0.55358   28.3014   0.01830   3.03927   87.503708
 84  1    12.2400   0.07000   1700.00   30.0000   28.6678   0.00602   12.1342   0.10577   1.51095   28.6148   0.05303   8.80616   87.558578
 85  1    9.89000   0.07000   500.000   30.0000   28.1806   0.00361   9.96376   -0.0738   1.05371   28.2146   -0.0340   9.41089   89.559196
 86  1    10.2500   0.07000   700.000   30.0000   28.2511   0.00361   10.3385   -0.0885   1.26380   28.2924   -0.0414   11.4511   88.881584
 87  1    10.6100   0.07000   900.000   30.0000   28.3336   0.00361   10.6923   -0.0823   1.17592   28.3727   -0.0391   10.8198   88.595177
 88  1    10.9600   0.07000   1100.00   30.0000   28.4034   0.00422   11.0765   -0.1165   1.66358   28.4596   -0.0561   13.3146   88.289253
 89  1    11.3500   0.07000   1300.00   30.0000   28.3956   0.00662   11.6242   -0.2742   3.91709   28.5286   -0.1330   20.0719   87.333031
 90  1    11.5900   0.07000   1400.00   30.0000   28.4426   0.00361   11.7925   -0.2025   2.89222   28.5413   -0.0987   27.3242   88.334564
 91  1    11.7800   0.07000   1500.00   30.0000   28.4673   0.00361   12.0075   -0.2275   3.24930   28.5788   -0.1116   30.8810   88.313583
 92  1    12.9500   0.07000   500.000   30.0000   27.0250   0.00301   12.7620   0.18798   2.68537   26.9555   0.06950   23.0802   89.960129
 93  1    13.1200   0.07000   600.000   30.0000   27.0376   0.00301   12.9900   0.13002   1.85744   26.9893   0.04829   16.0388   89.487732
 94  1    13.3300   0.07000   700.000   30.0000   27.0412   0.00301   13.2433   0.08673   1.23899   27.0089   0.03229   10.7236   89.198906
 95  1    13.5600   0.07000   800.000   30.0000   27.0509   0.00301   13.4811   0.07887   1.12668   27.0214   0.02943   9.77533   89.011726
 96  1    13.7700   0.07000   900.000   30.0000   27.0665   0.00301   13.7034   0.06656   0.95087   27.0416   0.02494   8.28166   88.878914
 97  1    13.9800   0.07000   1000.00   30.0000   27.0629   0.00241   13.9775   0.00255   0.03638   27.0619   0.00096   0.39828   88.971642
 98  1    14.2300   0.07000   1100.00   30.0000   27.0539   0.00241   14.2662   -0.0362   0.51654   27.0674   -0.0136   5.63054   88.901337
 99  1    14.4700   0.07000   1200.00   30.0000   27.0418   0.00241   14.5631   -0.0931   1.32989   27.0767   -0.0349   14.4996   88.850235
100  1    14.7500   0.07000   1300.00   30.0000   27.0250   0.00241   14.8731   -0.1231   1.75898   27.0711   -0.0461   19.1435   88.812149
<-------------------------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    15.0100   0.07000   1400.00   30.0000   27.0238   0.00241   15.1413   -0.1313   1.87638   27.0730   -0.0492   20.4262   88.778000
102  1    15.2200   0.07000   1500.00   30.0000   27.0539   0.00301   15.3259   -0.1059   1.51329   27.0937   -0.0399   13.2447   88.564484
103  1    15.3600   0.07000   1600.00   30.0000   27.1225   0.00301   15.4093   -0.0493   0.70377   27.1413   -0.0188   6.22740   88.539421
104  1    15.3200   0.07000   1700.00   30.0000   27.2568   0.00301   15.3256   -0.0056   0.07948   27.2590   -0.0022   0.72023   88.515572
105  1    15.1700   0.07000   1800.00   30.0000   27.4134   0.00301   15.1950   -0.0250   0.35696   27.4234   -0.0100   3.33129   88.491142
106  1    20.3900   0.07000   800.000   30.0000   24.8925   0.00542   20.5988   -0.2088   2.98274   24.9446   -0.0521   9.61183   86.467072
107  1    20.1500   0.07000   500.000   30.0000   24.8052   0.00542   20.1713   -0.0213   0.30360   24.8104   -0.0052   0.95756   87.481789
108  1    20.2400   0.07000   600.000   30.0000   24.8335   0.00482   20.3152   -0.0752   1.07370   24.8520   -0.0185   3.83314   87.736664
109  1    20.3700   0.07000   700.000   30.0000   24.8660   0.00542   20.4440   -0.0740   1.05678   24.8843   -0.0183   3.37626   86.663620
110  1    20.4400   0.07000   800.000   30.0000   24.9190   0.00482   20.4923   -0.0523   0.74735   24.9321   -0.0131   2.71273   87.245949
111  1    20.5200   0.07000   900.000   30.0000   24.9991   0.00422   20.4363   0.08370   1.19572   24.9779   0.02117   5.02232   87.806763
112  1    20.4600   0.07000   1000.00   30.0000   25.0900   0.00361   20.3437   0.11629   1.66136   25.0601   0.02993   8.28335   88.291061
113  1    20.2500   0.07000   1100.00   30.0000   25.1822   0.00361   20.2532   -0.0032   0.04539   25.1830  -0.00084   0.23174   88.235161
114  1    20.0300   0.07000   1200.00   30.0000   25.3165   0.00301   20.0124   0.01764   0.25207   25.3117   0.00476   1.58045   88.640244
115  1    19.7400   0.07000   1300.00   30.0000   25.4881   0.00301   19.6505   0.08950   1.27852   25.4632   0.02490   8.27090   88.607880
116  1    19.3700   0.07000   1400.00   30.0000   25.7031   0.00301   19.1596   0.21040   3.00576   25.6423   0.06082   20.1999   88.588211
117  1    19.0100   0.07000   1500.00   30.0000   25.9151   0.00301   18.7095   0.30054   4.29339   25.8248   0.09023   29.9670   88.572563
118  1    18.5500   0.07000   1600.00   30.0000   26.1361   0.00361   18.2593   0.29066   4.15233   26.0451   0.09103   25.1921   88.243790
119  1    18.0600   0.07000   1700.00   30.0000   26.3890   0.00422   17.7423   0.31769   4.53845   26.2848   0.10426   24.7329   87.923325
120  1    17.4500   0.07000   1800.00   30.0000   26.6642   0.00361   17.1980   0.25195   3.59933   26.5770   0.08723   24.1427   88.266281
121  1    14.8100   0.07000   500.000   30.0000   26.3944   0.00181   14.5600   0.25000   3.57143   26.3124   0.08206   45.4223   90.497643
122  1    16.2300   0.07000   1300.00   30.0000   26.5865   0.00241   16.0980   0.13201   1.88582   26.5414   0.04517   18.7524   88.860649

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 122 DATA:
      CHI^2 (WEIGHTED)=   2.4679
      MAXIMUM DELTA-PRESSURE=-0.414


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      K0        Kp        Gamm0     q
    K0   :     100.0     -99.3     -19.4       1.0
    Kp   :     -99.3     100.0      20.0       0.6
    Gamm0:     -19.4      20.0     100.0      92.2
    q    :       1.0       0.6      92.2     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     K0        Kp        Gamm0     q
    K0   :   0.00740  -0.00203  -0.00070   0.00008
    Kp   :  -0.00203   0.00057   0.00020   0.00001
    Gamm0:  -0.00070   0.00020   0.00178   0.00349
    q    :   0.00008   0.00001   0.00349   0.00805

*****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/rbcl/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:  36.2500           :Reference pressure volume: units are cm^3/mol
      K0:  19.92(9)          :Bulk modulus: units are GPa
      Kp:  5.00(2)           :dK/dP: dimensionless
     Kpp: -0.2949            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  177.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  1.96(4)           :Gruneisen parameter at Tref,Pref
       q:  1.06(9)           :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/rbcl/weighted_printed_theta/fitted.eos


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


EOSFIT-7.6>
***** Macro completed

EOSFIT-7.6>