***********************************************************************************************************************
*                                                                                                                     *
*                                                     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_precise_theta/run.mcr

***** Running macro

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


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


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


Successfully opened data file
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbcl/weighted_precise_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):177.04
    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:  177.040           :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:  177.040           :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:  177.040           :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_precise_theta/initial.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  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:  177.040           :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_precise_theta/initial.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbcl/weighted_precise_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   0.93777   33.5138   0.07655   21.1845
 18  1    2.66000   0.07000   600.000   30.0000   33.6499   0.00361   2.58068   0.07932   1.13317   33.5566   0.09335   25.8361
 19  1    2.83000   0.07000   700.000   30.0000   33.7595   0.00361   2.75657   0.07343   1.04893   33.6714   0.08811   24.3855
 20  1    2.97000   0.07000   800.000   30.0000   33.9107   0.00422   2.90097   0.06903   0.98612   33.8256   0.08504   20.1734
 21  1    2.96000   0.07000   900.000   30.0000   34.3087   0.00361   2.85884   0.10116   1.44514   34.1760   0.13276   36.7409
 22  1    2.95000   0.07000   1000.00   30.0000   34.6761   0.00422   2.85889   0.09111   1.30161   34.5488   0.12727   30.1900
 23  1    2.92000   0.07000   1100.00   30.0000   35.0434   0.00542   2.87532   0.04468   0.63830   34.9767   0.06673   12.3128
 24  1    2.89000   0.07000   1200.00   30.0000   35.5927   0.00964   2.79500   0.09500   1.35709   35.4382   0.15445   16.0293
 25  1    5.03000   0.07000   500.000   30.0000   31.1176   0.00422   4.97957   0.05044   0.72050   31.0788   0.03878   9.19989
 26  1    5.28000   0.07000   600.000   30.0000   31.1411   0.00422   5.21445   0.06555   0.93639   31.0905   0.05058   11.9997
 27  1    5.40000   0.07000   700.000   30.0000   31.2531   0.00422   5.33735   0.06265   0.89502   31.2038   0.04932   11.7002
 28  1    5.48000   0.07000   800.000   30.0000   31.3958   0.00422   5.42553   0.05447   0.77817   31.3518   0.04398   10.4333
 29  1    5.54000   0.07000   900.000   30.0000   31.5765   0.00422   5.47295   0.06705   0.95790   31.5207   0.05581   13.2404
 30  1    5.56000   0.07000   1000.00   30.0000   31.8077   0.00482   5.46906   0.09094   1.29909   31.7291   0.07863   16.3207
 31  1    5.54000   0.07000   1100.00   30.0000   32.0751   0.00602   5.43629   0.10371   1.48160   31.9813   0.09378   15.5733
 32  1    5.49000   0.07000   1200.00   30.0000   32.3413   0.00602   5.41849   0.07151   1.02154   32.2735   0.06784   11.2652
 33  1    5.44000   0.07000   1300.00   30.0000   32.6394   0.00723   5.38178   0.05822   0.83175   32.5812   0.05818   8.05056
 34  1    5.44000   0.07000   1400.00   30.0000   32.9682   0.00843   5.33139   0.10861   1.55163   32.8540   0.11425   13.5512
 35  1    8.34000   0.07000   500.000   30.0000   28.8906   0.00482   8.50512   -0.1651   2.35887   28.9776   -0.0869   18.0469
 36  1    8.30000   0.07000   600.000   30.0000   29.1339   0.00422   8.31325   -0.0132   0.18924   29.1412   -0.0072   1.71754
 37  1    8.30000   0.07000   700.000   30.0000   29.3477   0.00361   8.19374   0.10626   1.51805   29.2877   0.05995   16.5926
 38  1    8.29000   0.07000   800.000   30.0000   29.5669   0.00361   8.08008   0.20992   2.99890   29.4444   0.12247   33.8951
 39  1    8.25000   0.07000   900.000   30.0000   29.7753   0.00361   7.99908   0.25092   3.58453   29.6238   0.15152   41.9341
 40  1    8.17000   0.07000   1000.00   30.0000   29.9493   0.00301   7.98525   0.18475   2.63925   29.8339   0.11544   38.3374
 41  1    8.10000   0.07000   1100.00   30.0000   30.1950   0.00301   7.87077   0.22923   3.27465   30.0459   0.14914   49.5297
 42  1    7.98000   0.07000   1200.00   30.0000   30.4907   0.00361   7.70037   0.27963   3.99465   30.2998   0.19093   52.8404
 43  1    7.77000   0.07000   1300.00   30.0000   30.8291   0.00422   7.49400   0.27600   3.94286   30.6294   0.19978   47.3917
 44  1    7.53000   0.07000   1400.00   30.0000   31.2374   0.00542   7.22607   0.30393   4.34188   31.0020   0.23545   43.4413
 45  1    7.29000   0.07000   1500.00   30.0000   31.6331   0.00542   7.00985   0.28015   4.00221   31.4006   0.23247   42.8920
 46  1    6.95000   0.07000   1600.00   30.0000   32.0462   0.00723   6.80651   0.14349   2.04988   31.9172   0.12900   17.8502
 47  1    6.71000   0.07000   1700.00   30.0000   32.4979   0.00903   6.59626   0.11374   1.62483   32.3872   0.11064   12.2483
 48  1    5.93000   0.07000   500.000   30.0000   30.3654   0.00422   6.02057   -0.0906   1.29390   30.4271   -0.0617   14.6335
 49  1    6.18000   0.07000   600.000   30.0000   30.3678   0.00422   6.28175   -0.1017   1.45355   30.4373   -0.0694   16.4642
 50  1    6.32000   0.07000   700.000   30.0000   30.3691   0.00422   6.54544   -0.2254   3.22056   30.5241   -0.1550   36.7742
<-------------------------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   4.01966   30.5633   -0.1942   46.0746
 52  1    6.76000   0.07000   900.000   30.0000   30.3745   0.00422   7.06964   -0.3096   4.42350   30.5889   -0.2144   50.8589
 53  1    7.03000   0.07000   1000.00   30.0000   30.3715   0.00422   7.34054   -0.3105   4.43635   30.5865   -0.2150   51.0014
 54  1    7.38000   0.07000   1100.00   30.0000   30.3432   0.00422   7.64892   -0.2689   3.84165   30.5280   -0.1848   43.8480
 55  1    7.71000   0.07000   1200.00   30.0000   30.3130   0.00422   7.96026   -0.2503   3.57516   30.4840   -0.1710   40.5582
 56  1    8.04000   0.07000   1300.00   30.0000   30.2938   0.00422   8.25573   -0.2157   3.08189   30.4404   -0.1466   34.7843
 57  1    8.35000   0.07000   1400.00   30.0000   30.2938   0.00422   8.52260   -0.1726   2.46575   30.4108   -0.1171   27.7671
 58  1    8.73000   0.07000   1500.00   30.0000   30.3474   0.00422   8.71009   0.01991   0.28436   30.3339   0.01348   3.19754
 59  1    8.71000   0.07000   1600.00   30.0000   30.4793   0.00422   8.78481   -0.0748   1.06867   30.5314   -0.0521   12.3680
 60  1    8.71000   0.07000   1700.00   30.0000   30.6665   0.00422   8.78641   -0.0764   1.09151   30.7216   -0.0550   13.0576
 61  1    8.62000   0.07000   1800.00   30.0000   30.9791   0.00482   8.62948   -0.0095   0.13549   30.9863   -0.0072   1.49097
 62  1    7.04000   0.07000   500.000   30.0000   29.6464   0.00301   7.15152   -0.1115   1.59310   29.7134   -0.0670   22.2542
 63  1    7.32000   0.07000   600.000   30.0000   29.6693   0.00301   7.37750   -0.0575   0.82146   29.7039   -0.0346   11.4939
 64  1    7.52000   0.07000   700.000   30.0000   29.6789   0.00301   7.62648   -0.1065   1.52121   29.7433   -0.0644   21.3832
 65  1    7.78000   0.07000   800.000   30.0000   29.6819   0.00301   7.88701   -0.1070   1.52866   29.7467   -0.0648   21.5093
 66  1    8.03000   0.07000   900.000   30.0000   29.6873   0.00301   8.14386   -0.1139   1.62664   29.7564   -0.0690   22.9257
 67  1    8.26000   0.07000   1000.00   30.0000   29.6699   0.00301   8.43898   -0.1790   2.55684   29.7785   -0.1086   36.0627
 68  1    8.59000   0.07000   1100.00   30.0000   29.6392   0.00301   8.75646   -0.1665   2.37807   29.7396   -0.1004   33.3471
 69  1    8.95000   0.07000   1200.00   30.0000   29.5952   0.00301   9.09663   -0.1466   2.09468   29.6829   -0.0877   29.1252
 70  1    9.32000   0.07000   1300.00   30.0000   29.5506   0.00361   9.43844   -0.1184   1.69194   29.6208   -0.0702   19.4262
 71  1    9.66000   0.07000   1400.00   30.0000   29.5157   0.00361   9.76441   -0.1044   1.49156   29.5772   -0.0615   17.0117
 72  1    10.0200   0.07000   1500.00   30.0000   29.4844   0.00422   10.0846   -0.0646   0.92239   29.5221   -0.0377   8.95194
 73  1    10.3000   0.07000   1600.00   30.0000   29.4730   0.00422   10.3708   -0.0708   1.01155   29.5143   -0.0413   9.80392
 74  1    10.4700   0.07000   1700.00   30.0000   29.4681   0.00422   10.6457   -0.1757   2.51041   29.5712   -0.1031   24.4469
 75  1    10.6100   0.07000   1800.00   30.0000   29.5482   0.00422   10.7756   -0.1656   2.36510   29.6467   -0.0985   23.3588
 76  1    12.5300   0.07000   500.000   30.0000   26.9575   0.00723   12.9332   -0.4032   5.76030   27.1078   -0.1503   20.8008
 77  1    12.9200   0.07000   700.000   30.0000   27.0310   0.00542   13.2599   -0.3399   4.85638   27.1593   -0.1283   23.6701
 78  1    13.1700   0.07000   900.000   30.0000   27.1406   0.00422   13.4972   -0.3272   4.67431   27.2666   -0.1260   29.9009
 79  1    13.6100   0.07000   1100.00   30.0000   27.2183   0.00361   13.8242   -0.2142   3.05989   27.3017   -0.0834   23.0854
 80  1    13.4700   0.07000   1300.00   30.0000   27.5916   0.00301   13.4212   0.04884   0.69768   27.5715   0.02019   6.70502
 81  1    13.1400   0.07000   1400.00   30.0000   27.8422   0.00361   13.0955   0.04450   0.63573   27.8229   0.01926   5.33150
 82  1    12.9700   0.07000   1500.00   30.0000   28.1138   0.00422   12.7502   0.21977   3.13952   28.0145   0.09925   23.5438
 83  1    12.6200   0.07000   1600.00   30.0000   28.3197   0.00602   12.5726   0.04739   0.67704   28.2973   0.02238   3.71579
 84  1    12.2400   0.07000   1700.00   30.0000   28.6678   0.00602   12.1258   0.11425   1.63208   28.6105   0.05727   9.50991
 85  1    9.89000   0.07000   500.000   30.0000   28.1806   0.00361   9.95419   -0.0642   0.91694   28.2102   -0.0296   8.19150
 86  1    10.2500   0.07000   700.000   30.0000   28.2511   0.00361   10.3291   -0.0791   1.13047   28.2881   -0.0370   10.2444
 87  1    10.6100   0.07000   900.000   30.0000   28.3336   0.00361   10.6832   -0.0732   1.04587   28.3683   -0.0348   9.62309
 88  1    10.9600   0.07000   1100.00   30.0000   28.4034   0.00422   11.0675   -0.1075   1.53623   28.4553   -0.0518   12.2943
 89  1    11.3500   0.07000   1300.00   30.0000   28.3956   0.00662   11.6154   -0.2654   3.79141   28.5243   -0.1287   19.4266
 90  1    11.5900   0.07000   1400.00   30.0000   28.4426   0.00361   11.7837   -0.1937   2.76778   28.5370   -0.0945   26.1455
 91  1    11.7800   0.07000   1500.00   30.0000   28.4673   0.00361   11.9988   -0.2188   3.12583   28.5746   -0.1073   29.7023
 92  1    12.9500   0.07000   500.000   30.0000   27.0250   0.00301   12.7509   0.19910   2.84429   26.9513   0.07362   24.4491
 93  1    13.1200   0.07000   600.000   30.0000   27.0376   0.00301   12.9791   0.14095   2.01353   26.9853   0.05236   17.3881
 94  1    13.3300   0.07000   700.000   30.0000   27.0412   0.00301   13.2325   0.09747   1.39241   27.0049   0.03629   12.0519
 95  1    13.5600   0.07000   800.000   30.0000   27.0509   0.00301   13.4706   0.08942   1.27736   27.0175   0.03337   11.0840
 96  1    13.7700   0.07000   900.000   30.0000   27.0665   0.00301   13.6931   0.07691   1.09876   27.0377   0.02881   9.56819
 97  1    13.9800   0.07000   1000.00   30.0000   27.0629   0.00241   13.9673   0.01272   0.18176   27.0581   0.00477   1.98110
 98  1    14.2300   0.07000   1100.00   30.0000   27.0539   0.00241   14.2562   -0.0262   0.37362   27.0637   -0.0098   4.07068
 99  1    14.4700   0.07000   1200.00   30.0000   27.0418   0.00241   14.5533   -0.0833   1.18942   27.0731   -0.0312   12.9674
100  1    14.7500   0.07000   1300.00   30.0000   27.0250   0.00241   14.8635   -0.1135   1.62095   27.0675   -0.0425   17.6407
<-------------------------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   1.74096   27.0694   -0.0457   18.9519
102  1    15.2200   0.07000   1500.00   30.0000   27.0539   0.00301   15.3166   -0.0966   1.38069   27.0902   -0.0364   12.0817
103  1    15.3600   0.07000   1600.00   30.0000   27.1225   0.00301   15.4002   -0.0402   0.57413   27.1378   -0.0153   5.07833
104  1    15.3200   0.07000   1700.00   30.0000   27.2568   0.00301   15.3167   0.00330   0.04718   27.2555   0.00129   0.42694
105  1    15.1700   0.07000   1800.00   30.0000   27.4134   0.00301   15.1863   -0.0163   0.23300   27.4199   -0.0065   2.17462
106  1    20.3900   0.07000   800.000   30.0000   24.8925   0.00542   20.5860   -0.1960   2.80010   24.9414   -0.0489   9.02237
107  1    20.1500   0.07000   500.000   30.0000   24.8052   0.00542   20.1572   -0.0072   0.10319   24.8070   -0.0018   0.32552
108  1    20.2400   0.07000   600.000   30.0000   24.8335   0.00482   20.3015   -0.0615   0.87926   24.8486   -0.0151   3.13793
109  1    20.3700   0.07000   700.000   30.0000   24.8660   0.00542   20.4308   -0.0608   0.86831   24.8811   -0.0150   2.77449
110  1    20.4400   0.07000   800.000   30.0000   24.9190   0.00482   20.4796   -0.0396   0.56507   24.9289   -0.0099   2.05157
111  1    20.5200   0.07000   900.000   30.0000   24.9991   0.00422   20.4240   0.09601   1.37160   24.9748   0.02429   5.76119
112  1    20.4600   0.07000   1000.00   30.0000   25.0900   0.00361   20.3318   0.12816   1.83089   25.0571   0.03298   9.12795
113  1    20.2500   0.07000   1100.00   30.0000   25.1822   0.00361   20.2417   0.00826   0.11806   25.1800   0.00217   0.60177
114  1    20.0300   0.07000   1200.00   30.0000   25.3165   0.00301   20.0014   0.02865   0.40929   25.3088   0.00772   2.56545
115  1    19.7400   0.07000   1300.00   30.0000   25.4881   0.00301   19.6399   0.10007   1.42959   25.4603   0.02785   9.24767
116  1    19.3700   0.07000   1400.00   30.0000   25.7031   0.00301   19.1494   0.22055   3.15078   25.6394   0.06375   21.1710
117  1    19.0100   0.07000   1500.00   30.0000   25.9151   0.00301   18.6997   0.31030   4.43287   25.8219   0.09315   30.9362
118  1    18.5500   0.07000   1600.00   30.0000   26.1361   0.00361   18.2499   0.30007   4.28674   26.0421   0.09395   26.0019
119  1    18.0600   0.07000   1700.00   30.0000   26.3890   0.00422   17.7332   0.32678   4.66826   26.2818   0.10722   25.4355
120  1    17.4500   0.07000   1800.00   30.0000   26.6642   0.00361   17.1892   0.26076   3.72508   26.5740   0.09026   24.9804
121  1    14.8100   0.07000   500.000   30.0000   26.3944   0.00181   14.5480   0.26197   3.74248   26.3084   0.08600   47.6024
122  1    16.2300   0.07000   1300.00   30.0000   26.5865   0.00241   16.0881   0.14194   2.02776   26.5380   0.04857   20.1626

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:  177.040           :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        19.92256          0.03256          0.08679           0.38
 Kp      1         4.99502         -0.00498          0.02409          -0.21
 Kpp     0        -0.29484  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.03999  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.96399          0.00399          0.04259           0.09
 q       1         1.05932          0.00932          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        19.92224         -0.00031          0.08601          -0.00
 Kp      1         4.99511          0.00009          0.02382           0.00
 Kpp     0        -0.29486  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.03999  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.96400          0.00001          0.04225           0.00
 q       1         1.05926         -0.00006          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        19.92224         -0.00031          0.08601          -0.00
 Kp      1         4.99511          0.00009          0.02382           0.00
 Kpp     0        -0.29486  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.03999  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.96400          0.00001          0.04225           0.00
 q       1         1.05926         -0.00006          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   0.33803   34.0485   0.01282   4.43544   1104.6785
  3  1    2.64000   0.04000   300.000   0.00000   32.6838   0.00379   2.67381   -0.0338   0.84536   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   0.96160   31.3608   -0.0461   14.4467   276.54568
  5  1    6.03000   0.06000   300.000   0.00000   29.9937   0.00422   6.07104   -0.0410   0.68398   30.0198   -0.0261   6.18152   274.40271
  6  1    7.83000   0.06000   300.000   0.00000   28.9302   0.00283   7.91693   -0.0869   1.44885   28.9760   -0.0458   16.1967   275.55475
  7  1    10.0100   0.03000   300.000   0.00000   27.9112   0.00265   10.0454   -0.0354   1.17985   27.9267   -0.0155   5.85217   1067.7269
  8  1    11.8400   0.06000   300.000   0.00000   27.1534   0.00289   11.9040   -0.0640   1.06584   27.1778   -0.0244   8.44066   273.39810
  9  1    13.4900   0.06000   300.000   0.00000   26.5829   0.00355   13.4847   0.00527   0.08779   26.5811   0.00180   0.50729   269.70612
 10  1    14.8600   0.03000   300.000   0.00000   26.1094   0.00295   14.9311   -0.0711   2.37103   26.1317   -0.0223   7.56579   1011.2006
 11  1    16.9700   0.06000   300.000   0.00000   25.4952   0.00223   17.0115   -0.0415   0.69230   25.5067   -0.0116   5.20110   272.94012
 12  1    18.7100   0.08000   300.000   0.00000   25.0511   0.00169   18.6757   0.03435   0.42932   25.0424   0.00878   5.20443   155.19389
 13  1    20.1900   0.00000   300.000   0.00000   24.6826   0.00193   20.1703   0.01973       INF   24.6779   0.00469   2.43382   15275.608
 14  1    22.4900   0.03000   300.000   0.00000   24.1595   0.00229   22.4867   0.00335   0.11152   24.1588   0.00072   0.31506   985.98993
 15  1    24.3400   0.03000   300.000   0.00000   23.7741   0.00235   24.3543   -0.0143   0.47747   23.7770   -0.0028   1.21004   961.59949
 16  1    26.0500   0.02000   300.000   0.00000   23.4336   0.00271   26.1301   -0.0801   4.00391   23.4485   -0.0149   5.48282   1629.3561
 17  1    2.43000   0.07000   500.000   30.0000   33.5903   0.00361   2.36770   0.06230   0.89006   33.5177   0.07259   20.0897   88.319351
 18  1    2.66000   0.07000   600.000   30.0000   33.6499   0.00361   2.58432   0.07568   1.08113   33.5609   0.08901   24.6336   88.072060
 19  1    2.83000   0.07000   700.000   30.0000   33.7595   0.00361   2.76049   0.06951   0.99297   33.6761   0.08337   23.0732   87.908012
 20  1    2.97000   0.07000   800.000   30.0000   33.9107   0.00422   2.90515   0.06485   0.92640   33.8308   0.07986   18.9436   87.764114
 21  1    2.96000   0.07000   900.000   30.0000   34.3087   0.00361   2.86316   0.09684   1.38346   34.1817   0.12705   35.1615   87.653809
 22  1    2.95000   0.07000   1000.00   30.0000   34.6761   0.00422   2.86343   0.08657   1.23676   34.5552   0.12091   28.6815   87.528725
 23  1    2.92000   0.07000   1100.00   30.0000   35.0434   0.00542   2.88014   0.03986   0.56938   34.9839   0.05954   10.9846   87.398529
 24  1    2.89000   0.07000   1200.00   30.0000   35.5927   0.00964   2.80012   0.08988   1.28400   35.4465   0.14616   15.1694   87.115868
 25  1    5.03000   0.07000   500.000   30.0000   31.1176   0.00422   4.98549   0.04451   0.63592   31.0834   0.03422   8.11670   88.852425
 26  1    5.28000   0.07000   600.000   30.0000   31.1411   0.00422   5.22051   0.05949   0.84981   31.0952   0.04589   10.8849   88.541916
 27  1    5.40000   0.07000   700.000   30.0000   31.2531   0.00422   5.34347   0.05653   0.80763   31.2086   0.04449   10.5550   88.337418
 28  1    5.48000   0.07000   800.000   30.0000   31.3958   0.00422   5.43170   0.04830   0.69007   31.3568   0.03899   9.24921   88.194611
 29  1    5.54000   0.07000   900.000   30.0000   31.5765   0.00422   5.47916   0.06084   0.86916   31.5259   0.05063   12.0101   88.085991
 30  1    5.56000   0.07000   1000.00   30.0000   31.8077   0.00482   5.47532   0.08468   1.20978   31.7345   0.07321   15.1956   87.938515
 31  1    5.54000   0.07000   1100.00   30.0000   32.0751   0.00602   5.44260   0.09740   1.39145   31.9871   0.08807   14.6247   87.741318
 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   0.73811   32.5878   0.05164   7.14526   87.511871
 34  1    5.44000   0.07000   1400.00   30.0000   32.9682   0.00843   5.33812   0.10188   1.45542   32.8610   0.10719   12.7137   87.344788
 35  1    8.34000   0.07000   500.000   30.0000   28.8906   0.00482   8.51376   -0.1738   2.48225   28.9821   -0.0915   18.9859   89.129044
 36  1    8.30000   0.07000   600.000   30.0000   29.1339   0.00422   8.32157   -0.0216   0.30819   29.1457   -0.0118   2.79530   88.871117
 37  1    8.30000   0.07000   700.000   30.0000   29.3477   0.00361   8.20183   0.09817   1.40245   29.2923   0.05538   15.3262   88.732933
 38  1    8.29000   0.07000   800.000   30.0000   29.5669   0.00361   8.08797   0.20203   2.88615   29.4491   0.11785   32.6156   88.553207
 39  1    8.25000   0.07000   900.000   30.0000   29.7753   0.00361   8.00683   0.24317   3.47392   29.6284   0.14683   40.6360   88.425133
 40  1    8.17000   0.07000   1000.00   30.0000   29.9493   0.00301   7.99291   0.17709   2.52987   29.8387   0.11065   36.7468   88.408463
 41  1    8.10000   0.07000   1100.00   30.0000   30.1950   0.00301   7.87832   0.22167   3.16678   30.0508   0.14422   47.8961   88.318108
 42  1    7.98000   0.07000   1200.00   30.0000   30.4907   0.00361   7.70783   0.27217   3.88812   30.3049   0.18584   51.4315   88.166786
 43  1    7.77000   0.07000   1300.00   30.0000   30.8291   0.00422   7.50139   0.26861   3.83723   30.6347   0.19445   46.1270   88.022705
 44  1    7.53000   0.07000   1400.00   30.0000   31.2374   0.00542   7.23343   0.29657   4.23667   31.0077   0.22978   42.3958   87.807678
 45  1    7.29000   0.07000   1500.00   30.0000   31.6331   0.00542   7.01726   0.27274   3.89632   31.4067   0.22638   41.7676   87.758446
 46  1    6.95000   0.07000   1600.00   30.0000   32.0462   0.00723   6.81404   0.13596   1.94233   31.9239   0.12227   16.9201   87.493088
 47  1    6.71000   0.07000   1700.00   30.0000   32.4979   0.00903   6.60398   0.10602   1.51463   32.3947   0.10320   11.4244   87.233315
 48  1    5.93000   0.07000   500.000   30.0000   30.3654   0.00422   6.02737   -0.0974   1.39102   30.4317   -0.0663   15.7253   89.012688
 49  1    6.18000   0.07000   600.000   30.0000   30.3678   0.00422   6.28865   -0.1086   1.55212   30.4419   -0.0741   17.5740   88.680954
 50  1    6.32000   0.07000   700.000   30.0000   30.3691   0.00422   6.55244   -0.2324   3.32061   30.5289   -0.1598   37.9072   88.480019
<-------------------------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   4.12122   30.5681   -0.1991   47.2270   88.348083
 52  1    6.76000   0.07000   900.000   30.0000   30.3745   0.00422   7.07685   -0.3169   4.52649   30.5938   -0.2194   52.0348   88.255402
 53  1    7.03000   0.07000   1000.00   30.0000   30.3715   0.00422   7.34786   -0.3179   4.54091   30.5915   -0.2200   52.1991   88.190277
 54  1    7.38000   0.07000   1100.00   30.0000   30.3432   0.00422   7.65636   -0.2764   3.94799   30.5331   -0.1900   45.0601   88.144936
 55  1    7.71000   0.07000   1200.00   30.0000   30.3130   0.00422   7.96783   -0.2578   3.68327   30.4892   -0.1761   41.7861   88.111320
 56  1    8.04000   0.07000   1300.00   30.0000   30.2938   0.00422   8.26341   -0.2234   3.19159   30.4456   -0.1519   36.0249   88.085274
 57  1    8.35000   0.07000   1400.00   30.0000   30.2938   0.00422   8.53038   -0.1804   2.57690   30.4161   -0.1223   29.0236   88.060661
 58  1    8.73000   0.07000   1500.00   30.0000   30.3474   0.00422   8.71795   0.01204   0.17207   30.3392   0.00816   1.93518   88.037399
 59  1    8.71000   0.07000   1600.00   30.0000   30.4793   0.00422   8.79273   -0.0827   1.18189   30.5369   -0.0577   13.6829   88.008476
 60  1    8.71000   0.07000   1700.00   30.0000   30.6665   0.00422   8.79441   -0.0844   1.20583   30.7274   -0.0608   14.4312   87.975311
 61  1    8.62000   0.07000   1800.00   30.0000   30.9791   0.00482   8.63758   -0.0176   0.25117   30.9924   -0.0133   2.76578   87.856491
 62  1    7.04000   0.07000   500.000   30.0000   29.6464   0.00301   7.15919   -0.1192   1.70278   29.7180   -0.0716   23.7789   89.349686
 63  1    7.32000   0.07000   600.000   30.0000   29.6693   0.00301   7.38520   -0.0652   0.93139   29.7085   -0.0392   13.0293   88.986176
 64  1    7.52000   0.07000   700.000   30.0000   29.6789   0.00301   7.63422   -0.1142   1.63166   29.7480   -0.0690   22.9307   88.766289
 65  1    7.78000   0.07000   800.000   30.0000   29.6819   0.00301   7.89478   -0.1148   1.63977   29.7514   -0.0695   23.0682   88.621651
 66  1    8.03000   0.07000   900.000   30.0000   29.6873   0.00301   8.15169   -0.1217   1.73838   29.7611   -0.0738   24.4972   88.523773
 67  1    8.26000   0.07000   1000.00   30.0000   29.6699   0.00301   8.44686   -0.1869   2.66950   29.7833   -0.1134   37.6501   88.453850
 68  1    8.59000   0.07000   1100.00   30.0000   29.6392   0.00301   8.76442   -0.1744   2.49173   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   30.7202   88.374207
 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   88.260162
 71  1    9.66000   0.07000   1400.00   30.0000   29.5157   0.00361   9.77257   -0.1126   1.60810   29.5820   -0.0663   18.3425   88.237503
 72  1    10.0200   0.07000   1500.00   30.0000   29.4844   0.00422   10.0928   -0.0728   1.03960   29.5269   -0.0425   10.0912   88.114357
 73  1    10.3000   0.07000   1600.00   30.0000   29.4730   0.00422   10.3791   -0.0791   1.12931   29.5191   -0.0462   10.9477   88.098755
 74  1    10.4700   0.07000   1700.00   30.0000   29.4681   0.00422   10.6540   -0.1840   2.62865   29.5761   -0.1079   25.6052   88.084129
 75  1    10.6100   0.07000   1800.00   30.0000   29.5482   0.00422   10.7839   -0.1739   2.48360   29.6517   -0.1034   24.5370   88.067093
 76  1    12.5300   0.07000   500.000   30.0000   26.9575   0.00723   12.9444   -0.4144   5.92036   27.1120   -0.1545   21.3764   87.461365
 77  1    12.9200   0.07000   700.000   30.0000   27.0310   0.00542   13.2707   -0.3507   5.00987   27.1633   -0.1323   24.4165   88.056648
 78  1    13.1700   0.07000   900.000   30.0000   27.1406   0.00422   13.5075   -0.3375   4.82108   27.2706   -0.1300   30.8379   88.403702
 79  1    13.6100   0.07000   1100.00   30.0000   27.2183   0.00361   13.8341   -0.2241   3.20093   27.3055   -0.0873   24.1485   88.497215
 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   88.588341
 81  1    13.1400   0.07000   1400.00   30.0000   27.8422   0.00361   13.1045   0.03546   0.50655   27.8268   0.01535   4.24831   88.368690
 82  1    12.9700   0.07000   1500.00   30.0000   28.1138   0.00422   12.7590   0.21096   3.01369   28.0185   0.09529   22.6036   88.159271
 83  1    12.6200   0.07000   1600.00   30.0000   28.3197   0.00602   12.5813   0.03874   0.55347   28.3014   0.01830   3.03864   87.503708
 84  1    12.2400   0.07000   1700.00   30.0000   28.6678   0.00602   12.1342   0.10576   1.51082   28.6148   0.05303   8.80552   87.560745
 85  1    9.89000   0.07000   500.000   30.0000   28.1806   0.00361   9.96375   -0.0738   1.05361   28.2146   -0.0340   9.41089   89.561722
 86  1    10.2500   0.07000   700.000   30.0000   28.2511   0.00361   10.3385   -0.0885   1.26370   28.2924   -0.0414   11.4495   88.883850
 87  1    10.6100   0.07000   900.000   30.0000   28.3336   0.00361   10.6923   -0.0823   1.17587   28.3727   -0.0391   10.8182   88.596375
 88  1    10.9600   0.07000   1100.00   30.0000   28.4034   0.00422   11.0765   -0.1165   1.66358   28.4595   -0.0561   13.3137   88.290695
 89  1    11.3500   0.07000   1300.00   30.0000   28.3956   0.00662   11.6242   -0.2742   3.91712   28.5286   -0.1330   20.0716   87.335548
 90  1    11.5900   0.07000   1400.00   30.0000   28.4426   0.00361   11.7925   -0.2025   2.89228   28.5413   -0.0987   27.3252   88.335762
 91  1    11.7800   0.07000   1500.00   30.0000   28.4673   0.00361   12.0075   -0.2275   3.24937   28.5788   -0.1116   30.8815   88.314552
 92  1    12.9500   0.07000   500.000   30.0000   27.0250   0.00301   12.7620   0.18799   2.68552   26.9555   0.06950   23.0808   89.963524
 93  1    13.1200   0.07000   600.000   30.0000   27.0376   0.00301   12.9900   0.13003   1.85755   26.9893   0.04830   16.0395   89.488937
 94  1    13.3300   0.07000   700.000   30.0000   27.0412   0.00301   13.2433   0.08674   1.23908   27.0089   0.03229   10.7249   89.202629
 95  1    13.5600   0.07000   800.000   30.0000   27.0509   0.00301   13.4811   0.07887   1.12677   27.0214   0.02944   9.77596   89.014366
 96  1    13.7700   0.07000   900.000   30.0000   27.0665   0.00301   13.7034   0.06657   0.95094   27.0416   0.02493   8.28040   88.881310
 97  1    13.9800   0.07000   1000.00   30.0000   27.0629   0.00241   13.9775   0.00255   0.03639   27.0619   0.00096   0.39828   88.972931
 98  1    14.2300   0.07000   1100.00   30.0000   27.0539   0.00241   14.2662   -0.0362   0.51655   27.0674   -0.0136   5.63054   88.902245
 99  1    14.4700   0.07000   1200.00   30.0000   27.0418   0.00241   14.5631   -0.0931   1.32991   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   19.1443   88.813057
<-------------------------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   20.4302   88.780190
102  1    15.2200   0.07000   1500.00   30.0000   27.0539   0.00301   15.3259   -0.1059   1.51344   27.0937   -0.0399   13.2460   88.566498
103  1    15.3600   0.07000   1600.00   30.0000   27.1225   0.00301   15.4093   -0.0493   0.70395   27.1413   -0.0188   6.22740   88.541916
104  1    15.3200   0.07000   1700.00   30.0000   27.2568   0.00301   15.3256   -0.0056   0.07967   27.2590   -0.0022   0.72276   88.518066
105  1    15.1700   0.07000   1800.00   30.0000   27.4134   0.00301   15.1950   -0.0250   0.35716   27.4234   -0.0100   3.33382   88.493416
106  1    20.3900   0.07000   800.000   30.0000   24.8925   0.00542   20.5988   -0.2088   2.98260   24.9446   -0.0521   9.61077   86.469940
107  1    20.1500   0.07000   500.000   30.0000   24.8052   0.00542   20.1712   -0.0212   0.30346   24.8104   -0.0052   0.95580   87.483414
108  1    20.2400   0.07000   600.000   30.0000   24.8335   0.00482   20.3152   -0.0751   1.07356   24.8520   -0.0185   3.83274   87.738388
109  1    20.3700   0.07000   700.000   30.0000   24.8660   0.00542   20.4440   -0.0740   1.05662   24.8843   -0.0183   3.37591   86.667130
110  1    20.4400   0.07000   800.000   30.0000   24.9190   0.00482   20.4923   -0.0523   0.74722   24.9321   -0.0131   2.71194   87.248795
111  1    20.5200   0.07000   900.000   30.0000   24.9991   0.00422   20.4363   0.08371   1.19580   24.9779   0.02117   5.02186   87.810913
112  1    20.4600   0.07000   1000.00   30.0000   25.0900   0.00361   20.3437   0.11630   1.66138   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   0.23121   88.237511
114  1    20.0300   0.07000   1200.00   30.0000   25.3165   0.00301   20.0124   0.01764   0.25202   25.3117   0.00475   1.57855   88.642944
115  1    19.7400   0.07000   1300.00   30.0000   25.4881   0.00301   19.6505   0.08949   1.27841   25.4632   0.02490   8.27026   88.610573
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   88.591202
117  1    19.0100   0.07000   1500.00   30.0000   25.9151   0.00301   18.7095   0.30052   4.29320   25.8248   0.09023   29.9664   88.574638
118  1    18.5500   0.07000   1600.00   30.0000   26.1361   0.00361   18.2594   0.29065   4.15211   26.0451   0.09102   25.1916   88.246147
119  1    18.0600   0.07000   1700.00   30.0000   26.3890   0.00422   17.7423   0.31767   4.53821   26.2848   0.10426   24.7315   87.923698
120  1    17.4500   0.07000   1800.00   30.0000   26.6642   0.00361   17.1981   0.25193   3.59903   26.5770   0.08723   24.1411   88.271011
121  1    14.8100   0.07000   500.000   30.0000   26.3944   0.00181   14.5600   0.25001   3.57158   26.3124   0.08207   45.4244   90.501305
122  1    16.2300   0.07000   1300.00   30.0000   26.5865   0.00241   16.0980   0.13200   1.88577   26.5414   0.04517   18.7516   88.863052

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 122 DATA:
      CHI^2 (WEIGHTED)=   2.4678
      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:  177.040           :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        19.92227          0.00003          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       177.03999  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.96401          0.00001          0.04225           0.00
 q       1         1.05929          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        19.92227          0.00003          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       177.03999  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.96401          0.00001          0.04225           0.00
 q       1         1.05929          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   0.33796   34.0485   0.01282   4.43412   1104.6792
  3  1    2.64000   0.04000   300.000   0.00000   32.6838   0.00379   2.67382   -0.0338   0.84544   32.7179   -0.0341   8.98185   619.49323
  4  1    4.15000   0.06000   300.000   0.00000   31.3146   0.00319   4.20770   -0.0577   0.96168   31.3608   -0.0461   14.4485   276.54568
  5  1    6.03000   0.06000   300.000   0.00000   29.9937   0.00422   6.07104   -0.0410   0.68407   30.0198   -0.0261   6.18152   274.40369
  6  1    7.83000   0.06000   300.000   0.00000   28.9302   0.00283   7.91694   -0.0869   1.44897   28.9760   -0.0458   16.1987   275.55511
  7  1    10.0100   0.03000   300.000   0.00000   27.9112   0.00265   10.0454   -0.0354   1.18008   27.9267   -0.0155   5.85217   1067.7401
  8  1    11.8400   0.06000   300.000   0.00000   27.1534   0.00289   11.9040   -0.0640   1.06600   27.1778   -0.0244   8.44198   273.39700
  9  1    13.4900   0.06000   300.000   0.00000   26.5829   0.00355   13.4847   0.00526   0.08763   26.5811   0.00180   0.50729   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   7.56773   1011.1823
 11  1    16.9700   0.06000   300.000   0.00000   25.4952   0.00223   17.0115   -0.0415   0.69249   25.5067   -0.0116   5.20196   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   155.19450
 13  1    20.1900   0.00000   300.000   0.00000   24.6826   0.00193   20.1703   0.01972       INF   24.6779   0.00469   2.43184   15290.022
 14  1    22.4900   0.03000   300.000   0.00000   24.1595   0.00229   22.4867   0.00333   0.11107   24.1588   0.00072   0.31506   986.02954
 15  1    24.3400   0.03000   300.000   0.00000   23.7741   0.00235   24.3543   -0.0143   0.47785   23.7770   -0.0028   1.21248   961.59949
 16  1    26.0500   0.02000   300.000   0.00000   23.4336   0.00271   26.1301   -0.0801   4.00457   23.4485   -0.0149   5.48493   1629.5042
 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   88.318756
 18  1    2.66000   0.07000   600.000   30.0000   33.6499   0.00361   2.58432   0.07568   1.08108   33.5609   0.08901   24.6336   88.071175
 19  1    2.83000   0.07000   700.000   30.0000   33.7595   0.00361   2.76050   0.06950   0.99292   33.6762   0.08337   23.0722   87.907104
 20  1    2.97000   0.07000   800.000   30.0000   33.9107   0.00422   2.90516   0.06484   0.92634   33.8308   0.07985   18.9418   87.762924
 21  1    2.96000   0.07000   900.000   30.0000   34.3087   0.00361   2.86316   0.09684   1.38339   34.1817   0.12704   35.1594   87.652916
 22  1    2.95000   0.07000   1000.00   30.0000   34.6761   0.00422   2.86343   0.08657   1.23667   34.5552   0.12090   28.6788   87.527855
 23  1    2.92000   0.07000   1100.00   30.0000   35.0434   0.00542   2.88015   0.03985   0.56928   34.9839   0.05952   10.9811   87.397652
 24  1    2.89000   0.07000   1200.00   30.0000   35.5927   0.00964   2.80013   0.08987   1.28387   35.4465   0.14614   15.1671   87.114784
 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   88.850624
 26  1    5.28000   0.07000   600.000   30.0000   31.1411   0.00422   5.22052   0.05948   0.84975   31.0952   0.04589   10.8853   88.540680
 27  1    5.40000   0.07000   700.000   30.0000   31.2531   0.00422   5.34347   0.05653   0.80757   31.2086   0.04449   10.5532   88.335030
 28  1    5.48000   0.07000   800.000   30.0000   31.3958   0.00422   5.43170   0.04830   0.69001   31.3568   0.03899   9.24876   88.192780
 29  1    5.54000   0.07000   900.000   30.0000   31.5765   0.00422   5.47916   0.06084   0.86911   31.5259   0.05063   12.0110   88.084175
 30  1    5.56000   0.07000   1000.00   30.0000   31.8077   0.00482   5.47532   0.08468   1.20973   31.7345   0.07321   15.1952   87.936737
 31  1    5.54000   0.07000   1100.00   30.0000   32.0751   0.00602   5.44260   0.09740   1.39140   31.9871   0.08807   14.6244   87.739006
 32  1    5.49000   0.07000   1200.00   30.0000   32.3413   0.00602   5.42491   0.06509   0.92981   32.2796   0.06175   10.2542   87.683662
 33  1    5.44000   0.07000   1300.00   30.0000   32.6394   0.00723   5.38834   0.05166   0.73803   32.5878   0.05163   7.14474   87.510262
 34  1    5.44000   0.07000   1400.00   30.0000   32.9682   0.00843   5.33813   0.10187   1.45534   32.8610   0.10718   12.7128   87.344261
 35  1    8.34000   0.07000   500.000   30.0000   28.8906   0.00482   8.51376   -0.1738   2.48233   28.9821   -0.0915   18.9863   89.126785
 36  1    8.30000   0.07000   600.000   30.0000   29.1339   0.00422   8.32158   -0.0216   0.30824   29.1457   -0.0118   2.79485   88.868729
 37  1    8.30000   0.07000   700.000   30.0000   29.3477   0.00361   8.20183   0.09817   1.40239   29.2923   0.05537   15.3246   88.729446
 38  1    8.29000   0.07000   800.000   30.0000   29.5669   0.00361   8.08797   0.20203   2.88610   29.4491   0.11785   32.6145   88.551933
 39  1    8.25000   0.07000   900.000   30.0000   29.7753   0.00361   8.00683   0.24317   3.47389   29.6284   0.14682   40.6345   88.422760
 40  1    8.17000   0.07000   1000.00   30.0000   29.9493   0.00301   7.99291   0.17709   2.52983   29.8387   0.11065   36.7468   88.406670
 41  1    8.10000   0.07000   1100.00   30.0000   30.1950   0.00301   7.87833   0.22167   3.16676   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   3.88810   30.3049   0.18583   51.4310   88.164925
 43  1    7.77000   0.07000   1300.00   30.0000   30.8291   0.00422   7.50140   0.26860   3.83720   30.6347   0.19445   46.1270   88.021439
 44  1    7.53000   0.07000   1400.00   30.0000   31.2374   0.00542   7.23344   0.29656   4.23663   31.0077   0.22978   42.3954   87.805367
 45  1    7.29000   0.07000   1500.00   30.0000   31.6331   0.00542   7.01726   0.27274   3.89627   31.4067   0.22638   41.7673   87.757317
 46  1    6.95000   0.07000   1600.00   30.0000   32.0462   0.00723   6.81404   0.13596   1.94226   31.9239   0.12227   16.9199   87.491264
 47  1    6.71000   0.07000   1700.00   30.0000   32.4979   0.00903   6.60398   0.10602   1.51456   32.3947   0.10319   11.4236   87.232018
 48  1    5.93000   0.07000   500.000   30.0000   30.3654   0.00422   6.02738   -0.0974   1.39110   30.4317   -0.0663   15.7262   89.010941
 49  1    6.18000   0.07000   600.000   30.0000   30.3678   0.00422   6.28865   -0.1087   1.55219   30.4419   -0.0741   17.5754   88.679619
 50  1    6.32000   0.07000   700.000   30.0000   30.3691   0.00422   6.55245   -0.2324   3.32067   30.5289   -0.1598   37.9072   88.478134
<-------------------------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   47.2279   88.346260
 52  1    6.76000   0.07000   900.000   30.0000   30.3745   0.00422   7.07686   -0.3169   4.52653   30.5938   -0.2194   52.0353   88.253654
 53  1    7.03000   0.07000   1000.00   30.0000   30.3715   0.00422   7.34787   -0.3179   4.54094   30.5915   -0.2200   52.1991   88.188911
 54  1    7.38000   0.07000   1100.00   30.0000   30.3432   0.00422   7.65636   -0.2764   3.94802   30.5331   -0.1900   45.0606   88.143700
 55  1    7.71000   0.07000   1200.00   30.0000   30.3130   0.00422   7.96783   -0.2578   3.68329   30.4892   -0.1762   41.7866   88.109001
 56  1    8.04000   0.07000   1300.00   30.0000   30.2938   0.00422   8.26341   -0.2234   3.19162   30.4456   -0.1519   36.0254   88.081718
 57  1    8.35000   0.07000   1400.00   30.0000   30.2938   0.00422   8.53038   -0.1804   2.57691   30.4161   -0.1224   29.0245   88.059479
 58  1    8.73000   0.07000   1500.00   30.0000   30.3474   0.00422   8.71796   0.01204   0.17206   30.3392   0.00815   1.93382   88.034851
 59  1    8.71000   0.07000   1600.00   30.0000   30.4793   0.00422   8.79273   -0.0827   1.18189   30.5369   -0.0577   13.6838   88.007210
 60  1    8.71000   0.07000   1700.00   30.0000   30.6665   0.00422   8.79441   -0.0844   1.20584   30.7274   -0.0608   14.4321   87.972946
 61  1    8.62000   0.07000   1800.00   30.0000   30.9791   0.00482   8.63758   -0.0176   0.25120   30.9924   -0.0133   2.76578   87.854027
 62  1    7.04000   0.07000   500.000   30.0000   29.6464   0.00301   7.15920   -0.1192   1.70284   29.7180   -0.0716   23.7802   89.347321
 63  1    7.32000   0.07000   600.000   30.0000   29.6693   0.00301   7.38520   -0.0652   0.93146   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   1.63172   29.7480   -0.0690   22.9314   88.764458
 65  1    7.78000   0.07000   800.000   30.0000   29.6819   0.00301   7.89479   -0.1148   1.63982   29.7514   -0.0695   23.0682   88.619827
 66  1    8.03000   0.07000   900.000   30.0000   29.6873   0.00301   8.15169   -0.1217   1.73843   29.7611   -0.0738   24.4972   88.520111
 67  1    8.26000   0.07000   1000.00   30.0000   29.6699   0.00301   8.44687   -0.1869   2.66954   29.7833   -0.1134   37.6507   88.453781
 68  1    8.59000   0.07000   1100.00   30.0000   29.6392   0.00301   8.76442   -0.1744   2.49176   29.7444   -0.1052   34.9421   88.405876
 69  1    8.95000   0.07000   1200.00   30.0000   29.5952   0.00301   9.10466   -0.1547   2.20943   29.6877   -0.0925   30.7202   88.371902
 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   88.257881
 71  1    9.66000   0.07000   1400.00   30.0000   29.5157   0.00361   9.77257   -0.1126   1.60809   29.5820   -0.0663   18.3425   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   10.0908   88.112099
 73  1    10.3000   0.07000   1600.00   30.0000   29.4730   0.00422   10.3791   -0.0791   1.12929   29.5191   -0.0461   10.9473   88.096382
 74  1    10.4700   0.07000   1700.00   30.0000   29.4681   0.00422   10.6540   -0.1840   2.62863   29.5761   -0.1079   25.6057   88.081757
 75  1    10.6100   0.07000   1800.00   30.0000   29.5482   0.00422   10.7838   -0.1739   2.48357   29.6517   -0.1034   24.5374   88.064842
 76  1    12.5300   0.07000   500.000   30.0000   26.9575   0.00723   12.9444   -0.4144   5.92045   27.1120   -0.1545   21.3767   87.459068
 77  1    12.9200   0.07000   700.000   30.0000   27.0310   0.00542   13.2707   -0.3507   5.00994   27.1633   -0.1323   24.4172   88.054741
 78  1    13.1700   0.07000   900.000   30.0000   27.1406   0.00422   13.5075   -0.3375   4.82111   27.2706   -0.1300   30.8375   88.401009
 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   88.497070
 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   88.585960
 81  1    13.1400   0.07000   1400.00   30.0000   27.8422   0.00361   13.1045   0.03546   0.50661   27.8268   0.01535   4.24883   88.367516
 82  1    12.9700   0.07000   1500.00   30.0000   28.1138   0.00422   12.7590   0.21096   3.01375   28.0185   0.09529   22.6040   88.157173
 83  1    12.6200   0.07000   1600.00   30.0000   28.3197   0.00602   12.5813   0.03875   0.55354   28.3014   0.01830   3.03864   87.502357
 84  1    12.2400   0.07000   1700.00   30.0000   28.6678   0.00602   12.1342   0.10576   1.51089   28.6148   0.05303   8.80552   87.557419
 85  1    9.89000   0.07000   500.000   30.0000   28.1806   0.00361   9.96376   -0.0738   1.05369   28.2146   -0.0340   9.41141   89.560287
 86  1    10.2500   0.07000   700.000   30.0000   28.2511   0.00361   10.3385   -0.0885   1.26377   28.2924   -0.0414   11.4501   88.881348
 87  1    10.6100   0.07000   900.000   30.0000   28.3336   0.00361   10.6923   -0.0823   1.17591   28.3727   -0.0391   10.8192   88.593994
 88  1    10.9600   0.07000   1100.00   30.0000   28.4034   0.00422   11.0764   -0.1164   1.66356   28.4596   -0.0561   13.3146   88.289124
 89  1    11.3500   0.07000   1300.00   30.0000   28.3956   0.00662   11.6242   -0.2742   3.91711   28.5286   -0.1330   20.0722   87.330711
 90  1    11.5900   0.07000   1400.00   30.0000   28.4426   0.00361   11.7925   -0.2025   2.89225   28.5413   -0.0987   27.3247   88.334564
 91  1    11.7800   0.07000   1500.00   30.0000   28.4673   0.00361   12.0075   -0.2275   3.24933   28.5788   -0.1116   30.8810   88.313370
 92  1    12.9500   0.07000   500.000   30.0000   27.0250   0.00301   12.7620   0.18798   2.68541   26.9555   0.06950   23.0808   89.961098
 93  1    13.1200   0.07000   600.000   30.0000   27.0376   0.00301   12.9900   0.13002   1.85750   26.9893   0.04830   16.0395   89.487358
 94  1    13.3300   0.07000   700.000   30.0000   27.0412   0.00301   13.2433   0.08673   1.23904   27.0089   0.03229   10.7242   89.199867
 95  1    13.5600   0.07000   800.000   30.0000   27.0509   0.00301   13.4811   0.07887   1.12670   27.0214   0.02944   9.77596   89.010643
 96  1    13.7700   0.07000   900.000   30.0000   27.0665   0.00301   13.7034   0.06656   0.95091   27.0416   0.02494   8.28166   88.878792
 97  1    13.9800   0.07000   1000.00   30.0000   27.0629   0.00241   13.9775   0.00255   0.03640   27.0619   0.00096   0.39749   88.970444
 98  1    14.2300   0.07000   1100.00   30.0000   27.0539   0.00241   14.2662   -0.0362   0.51652   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   14.5004   88.847847
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   88.811951
<-------------------------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   1.87640   27.0730   -0.0492   20.4286   88.776802
102  1    15.2200   0.07000   1500.00   30.0000   27.0539   0.00301   15.3259   -0.1059   1.51333   27.0937   -0.0399   13.2453   88.564362
103  1    15.3600   0.07000   1600.00   30.0000   27.1225   0.00301   15.4093   -0.0493   0.70387   27.1413   -0.0188   6.22803   88.539536
104  1    15.3200   0.07000   1700.00   30.0000   27.2568   0.00301   15.3256   -0.0056   0.07955   27.2590   -0.0022   0.72086   88.514381
105  1    15.1700   0.07000   1800.00   30.0000   27.4134   0.00301   15.1950   -0.0250   0.35704   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   2.98263   24.9446   -0.0521   9.61113   86.466080
107  1    20.1500   0.07000   500.000   30.0000   24.8052   0.00542   20.1712   -0.0212   0.30354   24.8104   -0.0052   0.95650   87.482758
108  1    20.2400   0.07000   600.000   30.0000   24.8335   0.00482   20.3152   -0.0752   1.07362   24.8520   -0.0185   3.83274   87.738968
109  1    20.3700   0.07000   700.000   30.0000   24.8660   0.00542   20.4440   -0.0740   1.05670   24.8843   -0.0183   3.37556   86.662628
110  1    20.4400   0.07000   800.000   30.0000   24.9190   0.00482   20.4923   -0.0523   0.74727   24.9321   -0.0131   2.71233   87.244217
111  1    20.5200   0.07000   900.000   30.0000   24.9991   0.00422   20.4363   0.08370   1.19577   24.9779   0.02117   5.02232   87.809090
112  1    20.4600   0.07000   1000.00   30.0000   25.0900   0.00361   20.3437   0.11630   1.66141   25.0601   0.02993   8.28283   88.289131
113  1    20.2500   0.07000   1100.00   30.0000   25.1822   0.00361   20.2532   -0.0032   0.04534   25.1830  -0.00084   0.23121   88.233231
114  1    20.0300   0.07000   1200.00   30.0000   25.3165   0.00301   20.0124   0.01765   0.25210   25.3117   0.00476   1.57981   88.640572
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   3.00574   25.6423   0.06082   20.1993   88.588524
117  1    19.0100   0.07000   1500.00   30.0000   25.9151   0.00301   18.7095   0.30053   4.29333   25.8248   0.09023   29.9664   88.572563
118  1    18.5500   0.07000   1600.00   30.0000   26.1361   0.00361   18.2593   0.29066   4.15227   26.0451   0.09102   25.1911   88.244125
119  1    18.0600   0.07000   1700.00   30.0000   26.3890   0.00422   17.7423   0.31769   4.53840   26.2848   0.10426   24.7329   87.923698
120  1    17.4500   0.07000   1800.00   30.0000   26.6642   0.00361   17.1981   0.25194   3.59919   26.5770   0.08723   24.1422   88.268341
121  1    14.8100   0.07000   500.000   30.0000   26.3944   0.00181   14.5600   0.25000   3.57147   26.3124   0.08207   45.4244   90.497559
122  1    16.2300   0.07000   1300.00   30.0000   26.5865   0.00241   16.0980   0.13201   1.88585   26.5414   0.04517   18.7524   88.860649

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 122 DATA:
      CHI^2 (WEIGHTED)=   2.4678
      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_precise_theta/fitted.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 09:36
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  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:  177.040           :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_precise_theta/fitted.eos


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


EOSFIT-7.6>
***** Macro completed

EOSFIT-7.6>