***********************************************************************************************************************
*                                                                                                                     *
*                                                     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_legacy_na_precise_theta/run.mcr

***** Running macro

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


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


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


Successfully opened data file
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbcl/weighted_legacy_na_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   25.4951   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   33.9106   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   35.5926   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   29.7752   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   30.3690   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   30.3690   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   30.3714   0.00422
 54  1    7.38000   0.07000   1100.00   30.0000   30.3431   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   30.4792   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   29.4729   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   27.8421   0.00361
 82  1    12.9700   0.07000   1500.00   30.0000   28.1137   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   28.2510   0.00361
 87  1    10.6100   0.07000   900.000   30.0000   28.3335   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   28.4672   0.00361
 92  1    12.9500   0.07000   500.000   30.0000   27.0249   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   27.0508   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   27.0538   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   27.0249   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   27.0237   0.00241
102  1    15.2200   0.07000   1500.00   30.0000   27.0538   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_legacy_na_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_legacy_na_precise_theta/initial.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbcl/weighted_legacy_na_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   0.53451   0.00549       INF   35.3383   0.00861   2.86064
  2  1    1.46000   0.03000   300.000   0.00000   34.0613   0.00289   1.44775   0.01225   0.40836   34.0458   0.01551   5.36449
  3  1    2.64000   0.04000   300.000   0.00000   32.6838   0.00379   2.67017   -0.0302   0.75431   32.7142   -0.0304   8.01963
  4  1    4.15000   0.06000   300.000   0.00000   31.3146   0.00319   4.20238   -0.0524   0.87295   31.3565   -0.0419   13.1261
  5  1    6.03000   0.06000   300.000   0.00000   29.9937   0.00422   6.06395   -0.0340   0.56586   30.0152   -0.0216   5.11779
  6  1    7.83000   0.06000   300.000   0.00000   28.9302   0.00283   7.90835   -0.0784   1.30585   28.9715   -0.0413   14.6023
  7  1    10.0100   0.03000   300.000   0.00000   27.9112   0.00265   10.0353   -0.0253   0.84403   27.9223   -0.0111   4.18506
  8  1    11.8400   0.06000   300.000   0.00000   27.1534   0.00289   11.8927   -0.0527   0.87876   27.1735   -0.0201   6.95933
  9  1    13.4900   0.06000   300.000   0.00000   26.5829   0.00355   13.4726   0.01736   0.28941   26.5770   0.00595   1.67326
 10  1    14.8600   0.03000   300.000   0.00000   26.1094   0.00295   14.9183   -0.0583   1.94362   26.1277   -0.0183   6.20454
 11  1    16.9700   0.06000   300.000   0.00000   25.4951   0.00223   16.9978   -0.0278   0.46336   25.5029   -0.0078   3.48138
 12  1    18.7100   0.08000   300.000   0.00000   25.0511   0.00169   18.6613   0.04871   0.60887   25.0387   0.01245   7.38077
 13  1    20.1900   0.00000   300.000   0.00000   24.6826   0.00193   20.1554   0.03460       INF   24.6743   0.00823   4.26883
 14  1    22.4900   0.03000   300.000   0.00000   24.1595   0.00229   22.4711   0.01893   0.63114   24.1554   0.00406   1.77532
 15  1    24.3400   0.03000   300.000   0.00000   23.7741   0.00235   24.3383   0.00174   0.05786   23.7738   0.00034   0.14618
 16  1    26.0500   0.02000   300.000   0.00000   23.4336   0.00271   26.1136   -0.0636   3.18193   23.4454   -0.0118   4.35811
 17  1    2.43000   0.07000   500.000   30.0000   33.5903   0.00361   2.36438   0.06562   0.93743   33.5138   0.07652   21.1771
 18  1    2.66000   0.07000   600.000   30.0000   33.6499   0.00361   2.58069   0.07931   1.13296   33.5566   0.09333   25.8309
 19  1    2.83000   0.07000   700.000   30.0000   33.7595   0.00361   2.75659   0.07341   1.04874   33.6714   0.08809   24.3803
 20  1    2.97000   0.07000   800.000   30.0000   33.9106   0.00422   2.90099   0.06901   0.98584   33.8256   0.08502   20.1680
 21  1    2.96000   0.07000   900.000   30.0000   34.3087   0.00361   2.85886   0.10114   1.44488   34.1760   0.13273   36.7346
 22  1    2.95000   0.07000   1000.00   30.0000   34.6761   0.00422   2.85890   0.09110   1.30136   34.5488   0.12724   30.1846
 23  1    2.92000   0.07000   1100.00   30.0000   35.0434   0.00542   2.87534   0.04466   0.63807   34.9767   0.06671   12.3086
 24  1    2.89000   0.07000   1200.00   30.0000   35.5926   0.00964   2.79502   0.09498   1.35686   35.4382   0.15443   16.0270
 25  1    5.03000   0.07000   500.000   30.0000   31.1176   0.00422   4.97959   0.05041   0.72013   31.0788   0.03876   9.19447
 26  1    5.28000   0.07000   600.000   30.0000   31.1411   0.00422   5.21447   0.06553   0.93609   31.0905   0.05057   11.9952
 27  1    5.40000   0.07000   700.000   30.0000   31.2531   0.00422   5.33737   0.06263   0.89473   31.2038   0.04930   11.6952
 28  1    5.48000   0.07000   800.000   30.0000   31.3958   0.00422   5.42555   0.05445   0.77782   31.3518   0.04396   10.4288
 29  1    5.54000   0.07000   900.000   30.0000   31.5765   0.00422   5.47297   0.06703   0.95754   31.5207   0.05580   13.2359
 30  1    5.56000   0.07000   1000.00   30.0000   31.8077   0.00482   5.46909   0.09091   1.29866   31.7291   0.07861   16.3160
 31  1    5.54000   0.07000   1100.00   30.0000   32.0751   0.00602   5.43631   0.10369   1.48127   31.9813   0.09376   15.5695
 32  1    5.49000   0.07000   1200.00   30.0000   32.3413   0.00602   5.41852   0.07148   1.02113   32.2735   0.06782   11.2614
 33  1    5.44000   0.07000   1300.00   30.0000   32.6394   0.00723   5.38180   0.05820   0.83143   32.5812   0.05816   8.04740
 34  1    5.44000   0.07000   1400.00   30.0000   32.9682   0.00843   5.33141   0.10859   1.55134   32.8540   0.11423   13.5490
 35  1    8.34000   0.07000   500.000   30.0000   28.8906   0.00482   8.50516   -0.1652   2.35946   28.9776   -0.0870   18.0512
 36  1    8.30000   0.07000   600.000   30.0000   29.1339   0.00422   8.31329   -0.0133   0.18984   29.1412   -0.0073   1.72252
 37  1    8.30000   0.07000   700.000   30.0000   29.3477   0.00361   8.19376   0.10624   1.51773   29.2877   0.05993   16.5873
 38  1    8.29000   0.07000   800.000   30.0000   29.5669   0.00361   8.08011   0.20988   2.99835   29.4444   0.12245   33.8893
 39  1    8.25000   0.07000   900.000   30.0000   29.7752   0.00361   7.99911   0.25089   3.58410   29.6238   0.15150   41.9283
 40  1    8.17000   0.07000   1000.00   30.0000   29.9493   0.00301   7.98528   0.18472   2.63882   29.8339   0.11542   38.3311
 41  1    8.10000   0.07000   1100.00   30.0000   30.1950   0.00301   7.87080   0.22920   3.27422   30.0459   0.14912   49.5234
 42  1    7.98000   0.07000   1200.00   30.0000   30.4907   0.00361   7.70040   0.27960   3.99424   30.2998   0.19091   52.8352
 43  1    7.77000   0.07000   1300.00   30.0000   30.8291   0.00422   7.49403   0.27597   3.94237   30.6294   0.19976   47.3863
 44  1    7.53000   0.07000   1400.00   30.0000   31.2374   0.00542   7.22610   0.30391   4.34150   31.0020   0.23543   43.4375
 45  1    7.29000   0.07000   1500.00   30.0000   31.6331   0.00542   7.00987   0.28013   4.00186   31.4006   0.23245   42.8885
 46  1    6.95000   0.07000   1600.00   30.0000   32.0462   0.00723   6.80653   0.14348   2.04964   31.9172   0.12898   17.8476
 47  1    6.71000   0.07000   1700.00   30.0000   32.4979   0.00903   6.59628   0.11372   1.62453   32.3872   0.11062   12.2458
 48  1    5.93000   0.07000   500.000   30.0000   30.3654   0.00422   6.02060   -0.0906   1.29429   30.4271   -0.0617   14.6385
 49  1    6.18000   0.07000   600.000   30.0000   30.3678   0.00422   6.28178   -0.1018   1.45394   30.4373   -0.0694   16.4696
 50  1    6.32000   0.07000   700.000   30.0000   30.3690   0.00422   6.54547   -0.2255   3.22097   30.5241   -0.1550   36.7788
<-------------------------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   30.3690   0.00422   6.81141   -0.2814   4.02008   30.5633   -0.1942   46.0791
 52  1    6.76000   0.07000   900.000   30.0000   30.3745   0.00422   7.06967   -0.3097   4.42390   30.5889   -0.2144   50.8639
 53  1    7.03000   0.07000   1000.00   30.0000   30.3714   0.00422   7.34057   -0.3106   4.43676   30.5865   -0.2150   51.0060
 54  1    7.38000   0.07000   1100.00   30.0000   30.3431   0.00422   7.64894   -0.2689   3.84204   30.5280   -0.1849   43.8526
 55  1    7.71000   0.07000   1200.00   30.0000   30.3130   0.00422   7.96029   -0.2503   3.57564   30.4840   -0.1710   40.5632
 56  1    8.04000   0.07000   1300.00   30.0000   30.2938   0.00422   8.25577   -0.2158   3.08241   30.4404   -0.1467   34.7893
 57  1    8.35000   0.07000   1400.00   30.0000   30.2938   0.00422   8.52264   -0.1726   2.46628   30.4108   -0.1171   27.7721
 58  1    8.73000   0.07000   1500.00   30.0000   30.3474   0.00422   8.71012   0.01988   0.28396   30.3339   0.01346   3.19257
 59  1    8.71000   0.07000   1600.00   30.0000   30.4792   0.00422   8.78483   -0.0748   1.06906   30.5314   -0.0522   12.3726
 60  1    8.71000   0.07000   1700.00   30.0000   30.6665   0.00422   8.78644   -0.0764   1.09201   30.7216   -0.0551   13.0630
 61  1    8.62000   0.07000   1800.00   30.0000   30.9791   0.00482   8.62950   -0.0095   0.13578   30.9863   -0.0072   1.49493
 62  1    7.04000   0.07000   500.000   30.0000   29.6464   0.00301   7.15155   -0.1115   1.59354   29.7134   -0.0670   22.2606
 63  1    7.32000   0.07000   600.000   30.0000   29.6693   0.00301   7.37753   -0.0575   0.82191   29.7039   -0.0346   11.5008
 64  1    7.52000   0.07000   700.000   30.0000   29.6789   0.00301   7.62652   -0.1065   1.52176   29.7433   -0.0644   21.3902
 65  1    7.78000   0.07000   800.000   30.0000   29.6819   0.00301   7.88704   -0.1070   1.52909   29.7467   -0.0648   21.5156
 66  1    8.03000   0.07000   900.000   30.0000   29.6873   0.00301   8.14390   -0.1139   1.62719   29.7564   -0.0691   22.9326
 67  1    8.26000   0.07000   1000.00   30.0000   29.6699   0.00301   8.43901   -0.1790   2.55728   29.7785   -0.1086   36.0697
 68  1    8.59000   0.07000   1100.00   30.0000   29.6392   0.00301   8.75650   -0.1665   2.37852   29.7396   -0.1004   33.3541
 69  1    8.95000   0.07000   1200.00   30.0000   29.5952   0.00301   9.09666   -0.1467   2.09522   29.6829   -0.0877   29.1322
 70  1    9.32000   0.07000   1300.00   30.0000   29.5506   0.00361   9.43847   -0.1185   1.69246   29.6208   -0.0702   19.4320
 71  1    9.66000   0.07000   1400.00   30.0000   29.5157   0.00361   9.76444   -0.1044   1.49202   29.5772   -0.0615   17.0170
 72  1    10.0200   0.07000   1500.00   30.0000   29.4844   0.00422   10.0846   -0.0646   0.92294   29.5221   -0.0378   8.95692
 73  1    10.3000   0.07000   1600.00   30.0000   29.4729   0.00422   10.3708   -0.0708   1.01211   29.5143   -0.0413   9.80846
 74  1    10.4700   0.07000   1700.00   30.0000   29.4681   0.00422   10.6458   -0.1758   2.51086   29.5712   -0.1031   24.4519
 75  1    10.6100   0.07000   1800.00   30.0000   29.5482   0.00422   10.7756   -0.1656   2.36568   29.6467   -0.0985   23.3637
 76  1    12.5300   0.07000   500.000   30.0000   26.9575   0.00723   12.9333   -0.4033   5.76091   27.1078   -0.1503   20.8032
 77  1    12.9200   0.07000   700.000   30.0000   27.0310   0.00542   13.2600   -0.3400   4.85730   27.1593   -0.1283   23.6740
 78  1    13.1700   0.07000   900.000   30.0000   27.1406   0.00422   13.4973   -0.3273   4.67508   27.2666   -0.1261   29.9054
 79  1    13.6100   0.07000   1100.00   30.0000   27.2183   0.00361   13.8242   -0.2142   3.06046   27.3017   -0.0834   23.0902
 80  1    13.4700   0.07000   1300.00   30.0000   27.5916   0.00301   13.4212   0.04880   0.69712   27.5715   0.02017   6.69869
 81  1    13.1400   0.07000   1400.00   30.0000   27.8421   0.00361   13.0955   0.04445   0.63507   27.8229   0.01925   5.32622
 82  1    12.9700   0.07000   1500.00   30.0000   28.1137   0.00422   12.7503   0.21972   3.13883   28.0145   0.09923   23.5393
 83  1    12.6200   0.07000   1600.00   30.0000   28.3197   0.00602   12.5726   0.04735   0.67650   28.2973   0.02236   3.71263
 84  1    12.2400   0.07000   1700.00   30.0000   28.6678   0.00602   12.1258   0.11421   1.63157   28.6105   0.05725   9.50707
 85  1    9.89000   0.07000   500.000   30.0000   28.1806   0.00361   9.95422   -0.0642   0.91746   28.2102   -0.0296   8.19732
 86  1    10.2500   0.07000   700.000   30.0000   28.2510   0.00361   10.3292   -0.0792   1.13100   28.2881   -0.0370   10.2492
 87  1    10.6100   0.07000   900.000   30.0000   28.3335   0.00361   10.6832   -0.0732   1.04639   28.3683   -0.0348   9.62890
 88  1    10.9600   0.07000   1100.00   30.0000   28.4034   0.00422   11.0676   -0.1076   1.53675   28.4553   -0.0518   12.2984
 89  1    11.3500   0.07000   1300.00   30.0000   28.3956   0.00662   11.6154   -0.2654   3.79193   28.5243   -0.1287   19.4295
 90  1    11.5900   0.07000   1400.00   30.0000   28.4426   0.00361   11.7838   -0.1938   2.76827   28.5370   -0.0945   26.1508
 91  1    11.7800   0.07000   1500.00   30.0000   28.4672   0.00361   11.9989   -0.2189   3.12647   28.5746   -0.1073   29.7076
 92  1    12.9500   0.07000   500.000   30.0000   27.0249   0.00301   12.7509   0.19906   2.84367   26.9513   0.07360   24.4434
 93  1    13.1200   0.07000   600.000   30.0000   27.0376   0.00301   12.9791   0.14089   2.01270   26.9853   0.05234   17.3818
 94  1    13.3300   0.07000   700.000   30.0000   27.0412   0.00301   13.2326   0.09741   1.39163   27.0049   0.03627   12.0462
 95  1    13.5600   0.07000   800.000   30.0000   27.0508   0.00301   13.4706   0.08937   1.27674   27.0175   0.03336   11.0783
 96  1    13.7700   0.07000   900.000   30.0000   27.0665   0.00301   13.6931   0.07687   1.09817   27.0377   0.02879   9.56250
 97  1    13.9800   0.07000   1000.00   30.0000   27.0629   0.00241   13.9673   0.01267   0.18101   27.0581   0.00476   1.97398
 98  1    14.2300   0.07000   1100.00   30.0000   27.0538   0.00241   14.2562   -0.0262   0.37425   27.0637   -0.0098   4.07860
 99  1    14.4700   0.07000   1200.00   30.0000   27.0418   0.00241   14.5533   -0.0833   1.19016   27.0731   -0.0313   12.9746
100  1    14.7500   0.07000   1300.00   30.0000   27.0249   0.00241   14.8635   -0.1135   1.62157   27.0675   -0.0425   17.6478
<-------------------------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   27.0237   0.00241   15.1319   -0.1219   1.74155   27.0694   -0.0457   18.9590
102  1    15.2200   0.07000   1500.00   30.0000   27.0538   0.00301   15.3167   -0.0967   1.38130   27.0902   -0.0364   12.0880
103  1    15.3600   0.07000   1600.00   30.0000   27.1225   0.00301   15.4002   -0.0402   0.57471   27.1378   -0.0153   5.08404
104  1    15.3200   0.07000   1700.00   30.0000   27.2568   0.00301   15.3167   0.00325   0.04648   27.2555   0.00127   0.42061
105  1    15.1700   0.07000   1800.00   30.0000   27.4134   0.00301   15.1864   -0.0164   0.23360   27.4199   -0.0066   2.18095
106  1    20.3900   0.07000   800.000   30.0000   24.8925   0.00542   20.5861   -0.1961   2.80086   24.9414   -0.0489   9.02520
107  1    20.1500   0.07000   500.000   30.0000   24.8052   0.00542   20.1573   -0.0073   0.10400   24.8070   -0.0018   0.32834
108  1    20.2400   0.07000   600.000   30.0000   24.8335   0.00482   20.3016   -0.0616   0.88008   24.8486   -0.0151   3.14110
109  1    20.3700   0.07000   700.000   30.0000   24.8660   0.00542   20.4309   -0.0609   0.86961   24.8811   -0.0151   2.77766
110  1    20.4400   0.07000   800.000   30.0000   24.9190   0.00482   20.4796   -0.0396   0.56586   24.9289   -0.0099   2.05514
111  1    20.5200   0.07000   900.000   30.0000   24.9991   0.00422   20.4241   0.09593   1.37046   24.9748   0.02427   5.75757
112  1    20.4600   0.07000   1000.00   30.0000   25.0900   0.00361   20.3319   0.12808   1.82969   25.0571   0.03296   9.12267
113  1    20.2500   0.07000   1100.00   30.0000   25.1822   0.00361   20.2418   0.00820   0.11714   25.1800   0.00216   0.59649
114  1    20.0300   0.07000   1200.00   30.0000   25.3165   0.00301   20.0014   0.02858   0.40828   25.3088   0.00771   2.55912
115  1    19.7400   0.07000   1300.00   30.0000   25.4881   0.00301   19.6400   0.10002   1.42882   25.4603   0.02783   9.24261
116  1    19.3700   0.07000   1400.00   30.0000   25.7031   0.00301   19.1495   0.22050   3.15007   25.6394   0.06373   21.1660
117  1    19.0100   0.07000   1500.00   30.0000   25.9151   0.00301   18.6998   0.31024   4.43205   25.8219   0.09313   30.9299
118  1    18.5500   0.07000   1600.00   30.0000   26.1361   0.00361   18.2500   0.30003   4.28608   26.0421   0.09394   25.9977
119  1    18.0600   0.07000   1700.00   30.0000   26.3890   0.00422   17.7333   0.32673   4.66764   26.2818   0.10721   25.4319
120  1    17.4500   0.07000   1800.00   30.0000   26.6642   0.00361   17.1893   0.26070   3.72429   26.5740   0.09024   24.9752
121  1    14.8100   0.07000   500.000   30.0000   26.3944   0.00181   14.5481   0.26193   3.74182   26.3084   0.08598   47.5918
122  1    16.2300   0.07000   1300.00   30.0000   26.5865   0.00241   16.0881   0.14188   2.02691   26.5380   0.04855   20.1547

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        19.92213          0.03213          0.08677           0.37
 Kp      1         4.99511         -0.00489          0.02409          -0.20
 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          0.00400          0.04258           0.09
 q       1         1.05927          0.00927          0.09059           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        19.92181         -0.00032          0.08601          -0.00
 Kp      1         4.99521          0.00009          0.02382           0.00
 Kpp     0        -0.29488  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.03999  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.96402          0.00001          0.04224           0.00
 q       1         1.05922         -0.00005          0.08972          -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        19.92181         -0.00032          0.08601          -0.00
 Kp      1         4.99521          0.00009          0.02382           0.00
 Kpp     0        -0.29488  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.03999  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.96402          0.00001          0.04224           0.00
 q       1         1.05922         -0.00005          0.08972          -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   0.00731   2.42863   271423.31
  2  1    1.46000   0.03000   300.000   0.00000   34.0613   0.00289   1.44985   0.01015   0.33831   34.0484   0.01284   4.44072   1104.7018
  3  1    2.64000   0.04000   300.000   0.00000   32.6838   0.00379   2.67379   -0.0338   0.84478   32.7179   -0.0340   8.97482   619.47455
  4  1    4.15000   0.06000   300.000   0.00000   31.3146   0.00319   4.20766   -0.0577   0.96099   31.3607   -0.0461   14.4396   276.54538
  5  1    6.03000   0.06000   300.000   0.00000   29.9937   0.00422   6.07098   -0.0410   0.68301   30.0197   -0.0260   6.17429   274.41132
  6  1    7.83000   0.06000   300.000   0.00000   28.9302   0.00283   7.91688   -0.0869   1.44800   28.9760   -0.0458   16.1872   275.54965
  7  1    10.0100   0.03000   300.000   0.00000   27.9112   0.00265   10.0454   -0.0353   1.17833   27.9267   -0.0155   5.84210   1067.4900
  8  1    11.8400   0.06000   300.000   0.00000   27.1534   0.00289   11.9039   -0.0639   1.06498   27.1778   -0.0244   8.43341   273.39160
  9  1    13.4900   0.06000   300.000   0.00000   26.5829   0.00355   13.4847   0.00532   0.08871   26.5811   0.00182   0.51266   269.73346
 10  1    14.8600   0.03000   300.000   0.00000   26.1094   0.00295   14.9311   -0.0711   2.36899   26.1317   -0.0223   7.55998   1011.5314
 11  1    16.9700   0.06000   300.000   0.00000   25.4951   0.00223   17.0115   -0.0415   0.69135   25.5067   -0.0116   5.19254   272.94693
 12  1    18.7100   0.08000   300.000   0.00000   25.0511   0.00169   18.6756   0.03439   0.42982   25.0423   0.00878   5.20896   155.19632
 13  1    20.1900   0.00000   300.000   0.00000   24.6826   0.00193   20.1702   0.01975       INF   24.6779   0.00470   2.43778   15254.025
 14  1    22.4900   0.03000   300.000   0.00000   24.1595   0.00229   22.4866   0.00338   0.11272   24.1588   0.00073   0.31756   986.22766
 15  1    24.3400   0.03000   300.000   0.00000   23.7741   0.00235   24.3543   -0.0143   0.47671   23.7770   -0.0028   1.20842   962.14166
 16  1    26.0500   0.02000   300.000   0.00000   23.4336   0.00271   26.1301   -0.0801   4.00372   23.4484   -0.0149   5.48353   1629.6522
 17  1    2.43000   0.07000   500.000   30.0000   33.5903   0.00361   2.36769   0.06231   0.89011   33.5177   0.07260   20.0918   88.318542
 18  1    2.66000   0.07000   600.000   30.0000   33.6499   0.00361   2.58431   0.07569   1.08125   33.5609   0.08902   24.6368   88.070892
 19  1    2.83000   0.07000   700.000   30.0000   33.7595   0.00361   2.76049   0.06951   0.99305   33.6761   0.08337   23.0743   87.907059
 20  1    2.97000   0.07000   800.000   30.0000   33.9106   0.00422   2.90516   0.06484   0.92633   33.8308   0.07985   18.9418   87.763214
 21  1    2.96000   0.07000   900.000   30.0000   34.3087   0.00361   2.86317   0.09683   1.38330   34.1817   0.12704   35.1584   87.653198
 22  1    2.95000   0.07000   1000.00   30.0000   34.6761   0.00422   2.86344   0.08656   1.23651   34.5552   0.12088   28.6761   87.528137
 23  1    2.92000   0.07000   1100.00   30.0000   35.0434   0.00542   2.88017   0.03983   0.56906   34.9839   0.05950   10.9776   87.396767
 24  1    2.89000   0.07000   1200.00   30.0000   35.5926   0.00964   2.80015   0.08985   1.28358   35.4465   0.14612   15.1651   87.115013
 25  1    5.03000   0.07000   500.000   30.0000   31.1176   0.00422   4.98545   0.04455   0.63637   31.0833   0.03424   8.12123   88.851181
 26  1    5.28000   0.07000   600.000   30.0000   31.1411   0.00422   5.22048   0.05952   0.85029   31.0952   0.04591   10.8907   88.541687
 27  1    5.40000   0.07000   700.000   30.0000   31.2531   0.00422   5.34344   0.05656   0.80803   31.2086   0.04450   10.5573   88.336067
 28  1    5.48000   0.07000   800.000   30.0000   31.3958   0.00422   5.43168   0.04832   0.69032   31.3568   0.03901   9.25374   88.193375
 29  1    5.54000   0.07000   900.000   30.0000   31.5765   0.00422   5.47915   0.06085   0.86934   31.5258   0.05065   12.0147   88.083656
 30  1    5.56000   0.07000   1000.00   30.0000   31.8077   0.00482   5.47532   0.08468   1.20978   31.7345   0.07322   15.1972   87.936722
 31  1    5.54000   0.07000   1100.00   30.0000   32.0751   0.00602   5.44260   0.09740   1.39147   31.9870   0.08807   14.6250   87.739548
 32  1    5.49000   0.07000   1200.00   30.0000   32.3413   0.00602   5.42492   0.06508   0.92972   32.2795   0.06175   10.2536   87.683647
 33  1    5.44000   0.07000   1300.00   30.0000   32.6394   0.00723   5.38834   0.05166   0.73796   32.5877   0.05162   7.14368   87.510689
 34  1    5.44000   0.07000   1400.00   30.0000   32.9682   0.00843   5.33814   0.10186   1.45519   32.8610   0.10718   12.7128   87.343559
 35  1    8.34000   0.07000   500.000   30.0000   28.8906   0.00482   8.51371   -0.1737   2.48165   28.9820   -0.0914   18.9812   89.125664
 36  1    8.30000   0.07000   600.000   30.0000   29.1339   0.00422   8.32154   -0.0215   0.30770   29.1457   -0.0118   2.78988   88.868729
 37  1    8.30000   0.07000   700.000   30.0000   29.3477   0.00361   8.20178   0.09822   1.40311   29.2923   0.05540   15.3315   88.731117
 38  1    8.29000   0.07000   800.000   30.0000   29.5669   0.00361   8.08794   0.20205   2.88650   29.4490   0.11786   32.6193   88.551834
 39  1    8.25000   0.07000   900.000   30.0000   29.7752   0.00361   8.00680   0.24320   3.47429   29.6284   0.14684   40.6392   88.423813
 40  1    8.17000   0.07000   1000.00   30.0000   29.9493   0.00301   7.99289   0.17711   2.53015   29.8386   0.11065   36.7494   88.407372
 41  1    8.10000   0.07000   1100.00   30.0000   30.1950   0.00301   7.87831   0.22169   3.16699   30.0508   0.14423   47.8993   88.317551
 42  1    7.98000   0.07000   1200.00   30.0000   30.4907   0.00361   7.70782   0.27218   3.88823   30.3048   0.18584   51.4332   88.166031
 43  1    7.77000   0.07000   1300.00   30.0000   30.8291   0.00422   7.50140   0.26860   3.83715   30.6347   0.19445   46.1266   88.020836
 44  1    7.53000   0.07000   1400.00   30.0000   31.2374   0.00542   7.23344   0.29656   4.23660   31.0076   0.22978   42.3951   87.805687
 45  1    7.29000   0.07000   1500.00   30.0000   31.6331   0.00542   7.01727   0.27273   3.89615   31.4067   0.22637   41.7670   87.756256
 46  1    6.95000   0.07000   1600.00   30.0000   32.0462   0.00723   6.81405   0.13595   1.94218   31.9239   0.12226   16.9188   87.493195
 47  1    6.71000   0.07000   1700.00   30.0000   32.4979   0.00903   6.60400   0.10600   1.51431   32.3947   0.10318   11.4219   87.233078
 48  1    5.93000   0.07000   500.000   30.0000   30.3654   0.00422   6.02733   -0.0973   1.39048   30.4317   -0.0663   15.7194   89.011490
 49  1    6.18000   0.07000   600.000   30.0000   30.3678   0.00422   6.28861   -0.1086   1.55162   30.4419   -0.0741   17.5700   88.680275
 50  1    6.32000   0.07000   700.000   30.0000   30.3690   0.00422   6.55241   -0.2324   3.32020   30.5288   -0.1598   37.9009   88.478088
<-------------------------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   30.3690   0.00422   6.81846   -0.2885   4.12087   30.5681   -0.1991   47.2238   88.346260
 52  1    6.76000   0.07000   900.000   30.0000   30.3745   0.00422   7.07683   -0.3168   4.52618   30.5938   -0.2193   52.0321   88.254807
 53  1    7.03000   0.07000   1000.00   30.0000   30.3714   0.00422   7.34785   -0.3178   4.54065   30.5915   -0.2200   52.1964   88.189087
 54  1    7.38000   0.07000   1100.00   30.0000   30.3431   0.00422   7.65635   -0.2763   3.94780   30.5331   -0.1899   45.0584   88.143608
 55  1    7.71000   0.07000   1200.00   30.0000   30.3130   0.00422   7.96782   -0.2578   3.68321   30.4892   -0.1761   41.7853   88.109726
 56  1    8.04000   0.07000   1300.00   30.0000   30.2938   0.00422   8.26341   -0.2234   3.19165   30.4456   -0.1519   36.0254   88.082062
 57  1    8.35000   0.07000   1400.00   30.0000   30.2938   0.00422   8.53039   -0.1804   2.57701   30.4161   -0.1224   29.0249   88.059738
 58  1    8.73000   0.07000   1500.00   30.0000   30.3474   0.00422   8.71796   0.01204   0.17202   30.3392   0.00816   1.93472   88.036217
 59  1    8.71000   0.07000   1600.00   30.0000   30.4792   0.00422   8.79274   -0.0827   1.18201   30.5369   -0.0577   13.6833   88.007210
 60  1    8.71000   0.07000   1700.00   30.0000   30.6665   0.00422   8.79443   -0.0844   1.20614   30.7274   -0.0608   14.4340   87.972862
 61  1    8.62000   0.07000   1800.00   30.0000   30.9791   0.00482   8.63759   -0.0176   0.25133   30.9924   -0.0133   2.76974   87.856056
 62  1    7.04000   0.07000   500.000   30.0000   29.6464   0.00301   7.15915   -0.1192   1.70215   29.7179   -0.0716   23.7682   89.348541
 63  1    7.32000   0.07000   600.000   30.0000   29.6693   0.00301   7.38516   -0.0652   0.93083   29.7085   -0.0392   13.0217   88.984795
 64  1    7.52000   0.07000   700.000   30.0000   29.6789   0.00301   7.63419   -0.1142   1.63128   29.7479   -0.0690   22.9269   88.765053
 65  1    7.78000   0.07000   800.000   30.0000   29.6819   0.00301   7.89475   -0.1148   1.63932   29.7514   -0.0694   23.0625   88.621361
 66  1    8.03000   0.07000   900.000   30.0000   29.6873   0.00301   8.15167   -0.1217   1.73811   29.7611   -0.0738   24.4935   88.521606
 67  1    8.26000   0.07000   1000.00   30.0000   29.6699   0.00301   8.44684   -0.1868   2.66918   29.7832   -0.1134   37.6476   88.454597
 68  1    8.59000   0.07000   1100.00   30.0000   29.6392   0.00301   8.76440   -0.1744   2.49150   29.7444   -0.1052   34.9377   88.405800
 69  1    8.95000   0.07000   1200.00   30.0000   29.5952   0.00301   9.10465   -0.1547   2.20934   29.6877   -0.0925   30.7196   88.373085
 70  1    9.32000   0.07000   1300.00   30.0000   29.5506   0.00361   9.44653   -0.1265   1.80762   29.6256   -0.0750   20.7554   88.258057
 71  1    9.66000   0.07000   1400.00   30.0000   29.5157   0.00361   9.77256   -0.1126   1.60804   29.5820   -0.0663   18.3430   88.234123
 72  1    10.0200   0.07000   1500.00   30.0000   29.4844   0.00422   10.0928   -0.0728   1.03972   29.5269   -0.0425   10.0912   88.112320
 73  1    10.3000   0.07000   1600.00   30.0000   29.4729   0.00422   10.3791   -0.0791   1.12948   29.5191   -0.0462   10.9487   88.096931
 74  1    10.4700   0.07000   1700.00   30.0000   29.4681   0.00422   10.6540   -0.1840   2.62879   29.5761   -0.1079   25.6075   88.081215
 75  1    10.6100   0.07000   1800.00   30.0000   29.5482   0.00422   10.7839   -0.1739   2.48395   29.6517   -0.1034   24.5392   88.065598
 76  1    12.5300   0.07000   500.000   30.0000   26.9575   0.00723   12.9444   -0.4144   5.91959   27.1119   -0.1545   21.3735   87.463089
 77  1    12.9200   0.07000   700.000   30.0000   27.0310   0.00542   13.2707   -0.3507   5.00958   27.1633   -0.1323   24.4144   88.053024
 78  1    13.1700   0.07000   900.000   30.0000   27.1406   0.00422   13.5075   -0.3375   4.82081   27.2706   -0.1300   30.8357   88.399887
 79  1    13.6100   0.07000   1100.00   30.0000   27.2183   0.00361   13.8340   -0.2240   3.20057   27.3055   -0.0873   24.1475   88.496017
 80  1    13.4700   0.07000   1300.00   30.0000   27.5916   0.00301   13.4305   0.03954   0.56487   27.5753   0.01635   5.42863   88.586288
 81  1    13.1400   0.07000   1400.00   30.0000   27.8421   0.00361   13.1045   0.03546   0.50658   27.8268   0.01535   4.24884   88.366890
 82  1    12.9700   0.07000   1500.00   30.0000   28.1137   0.00422   12.7591   0.21095   3.01353   28.0185   0.09529   22.6041   88.155258
 83  1    12.6200   0.07000   1600.00   30.0000   28.3197   0.00602   12.5813   0.03874   0.55342   28.3014   0.01829   3.03769   87.504448
 84  1    12.2400   0.07000   1700.00   30.0000   28.6678   0.00602   12.1343   0.10575   1.51070   28.6148   0.05302   8.80458   87.559921
 85  1    9.89000   0.07000   500.000   30.0000   28.1806   0.00361   9.96370   -0.0737   1.05283   28.2146   -0.0340   9.40509   89.560158
 86  1    10.2500   0.07000   700.000   30.0000   28.2510   0.00361   10.3384   -0.0884   1.26310   28.2924   -0.0413   11.4437   88.881470
 87  1    10.6100   0.07000   900.000   30.0000   28.3335   0.00361   10.6923   -0.0823   1.17540   28.3726   -0.0391   10.8150   88.595131
 88  1    10.9600   0.07000   1100.00   30.0000   28.4034   0.00422   11.0764   -0.1164   1.66328   28.4595   -0.0561   13.3110   88.287552
 89  1    11.3500   0.07000   1300.00   30.0000   28.3956   0.00662   11.6242   -0.2742   3.91697   28.5285   -0.1330   20.0716   87.331673
 90  1    11.5900   0.07000   1400.00   30.0000   28.4426   0.00361   11.7925   -0.2025   2.89218   28.5413   -0.0987   27.3242   88.335350
 91  1    11.7800   0.07000   1500.00   30.0000   28.4672   0.00361   12.0075   -0.2275   3.24950   28.5788   -0.1116   30.8821   88.310966
 92  1    12.9500   0.07000   500.000   30.0000   27.0249   0.00301   12.7620   0.18804   2.68627   26.9554   0.06952   23.0872   89.959892
 93  1    13.1200   0.07000   600.000   30.0000   27.0376   0.00301   12.9899   0.13006   1.85804   26.9893   0.04831   16.0445   89.485756
 94  1    13.3300   0.07000   700.000   30.0000   27.0412   0.00301   13.2432   0.08677   1.23952   27.0089   0.03231   10.7299   89.196953
 95  1    13.5600   0.07000   800.000   30.0000   27.0508   0.00301   13.4811   0.07891   1.12728   27.0214   0.02945   9.78040   89.011482
 96  1    13.7700   0.07000   900.000   30.0000   27.0665   0.00301   13.7034   0.06660   0.95137   27.0415   0.02494   8.28420   88.879868
 97  1    13.9800   0.07000   1000.00   30.0000   27.0629   0.00241   13.9774   0.00256   0.03663   27.0619   0.00096   0.39907   88.969765
 98  1    14.2300   0.07000   1100.00   30.0000   27.0538   0.00241   14.2661   -0.0361   0.51624   27.0674   -0.0136   5.62896   88.902016
 99  1    14.4700   0.07000   1200.00   30.0000   27.0418   0.00241   14.5631   -0.0931   1.32984   27.0767   -0.0349   14.4996   88.850716
100  1    14.7500   0.07000   1300.00   30.0000   27.0249   0.00241   14.8731   -0.1231   1.75892   27.0711   -0.0461   19.1451   88.810760
<-------------------------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   27.0237   0.00241   15.1413   -0.1313   1.87640   27.0729   -0.0492   20.4286   88.778191
102  1    15.2200   0.07000   1500.00   30.0000   27.0538   0.00301   15.3259   -0.1059   1.51343   27.0937   -0.0399   13.2479   88.566284
103  1    15.3600   0.07000   1600.00   30.0000   27.1225   0.00301   15.4093   -0.0493   0.70403   27.1413   -0.0188   6.22994   88.539772
104  1    15.3200   0.07000   1700.00   30.0000   27.2568   0.00301   15.3256   -0.0056   0.07995   27.2590   -0.0022   0.72403   88.516258
105  1    15.1700   0.07000   1800.00   30.0000   27.4134   0.00301   15.1950   -0.0250   0.35740   27.4234   -0.0100   3.33699   88.489967
106  1    20.3900   0.07000   800.000   30.0000   24.8925   0.00542   20.5988   -0.2088   2.98236   24.9446   -0.0521   9.61043   86.472305
107  1    20.1500   0.07000   500.000   30.0000   24.8052   0.00542   20.1712   -0.0212   0.30294   24.8104   -0.0052   0.95545   87.487305
108  1    20.2400   0.07000   600.000   30.0000   24.8335   0.00482   20.3151   -0.0751   1.07318   24.8519   -0.0185   3.83156   87.736092
109  1    20.3700   0.07000   700.000   30.0000   24.8660   0.00542   20.4440   -0.0740   1.05686   24.8843   -0.0183   3.37591   86.659843
110  1    20.4400   0.07000   800.000   30.0000   24.9190   0.00482   20.4923   -0.0523   0.74700   24.9321   -0.0131   2.71273   87.245903
111  1    20.5200   0.07000   900.000   30.0000   24.9991   0.00422   20.4363   0.08369   1.19558   24.9779   0.02118   5.02323   87.798943
112  1    20.4600   0.07000   1000.00   30.0000   25.0900   0.00361   20.3437   0.11627   1.66106   25.0601   0.02992   8.28178   88.290794
113  1    20.2500   0.07000   1100.00   30.0000   25.1822   0.00361   20.2532   -0.0032   0.04550   25.1830  -0.00084   0.23174   88.236389
114  1    20.0300   0.07000   1200.00   30.0000   25.3165   0.00301   20.0124   0.01763   0.25180   25.3117   0.00475   1.57728   88.642578
115  1    19.7400   0.07000   1300.00   30.0000   25.4881   0.00301   19.6505   0.08948   1.27833   25.4632   0.02490   8.26964   88.607559
116  1    19.3700   0.07000   1400.00   30.0000   25.7031   0.00301   19.1596   0.21039   3.00557   25.6423   0.06081   20.1968   88.588524
117  1    19.0100   0.07000   1500.00   30.0000   25.9151   0.00301   18.7095   0.30050   4.29292   25.8248   0.09022   29.9639   88.571075
118  1    18.5500   0.07000   1600.00   30.0000   26.1361   0.00361   18.2594   0.29063   4.15192   26.0451   0.09101   25.1884   88.244476
119  1    18.0600   0.07000   1700.00   30.0000   26.3890   0.00422   17.7423   0.31766   4.53799   26.2848   0.10425   24.7302   87.924072
120  1    17.4500   0.07000   1800.00   30.0000   26.6642   0.00361   17.1981   0.25190   3.59854   26.5770   0.08722   24.1385   88.266907
121  1    14.8100   0.07000   500.000   30.0000   26.3944   0.00181   14.5599   0.25006   3.57231   26.3123   0.08208   45.4328   90.500740
122  1    16.2300   0.07000   1300.00   30.0000   26.5865   0.00241   16.0980   0.13199   1.88563   26.5414   0.04517   18.7532   88.860229

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 122 DATA:
      CHI^2 (WEIGHTED)=   2.4674
      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        19.92182          0.00001          0.08601           0.00
 Kp      1         4.99520         -0.00000          0.02382          -0.00
 Kpp     0        -0.29488  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.03999  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.96402          0.00000          0.04224           0.00
 q       1         1.05923          0.00001          0.08972           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        19.92182          0.00001          0.08601           0.00
 Kp      1         4.99520         -0.00000          0.02382          -0.00
 Kpp     0        -0.29488  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.03999  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.96402          0.00000          0.04224           0.00
 q       1         1.05923          0.00001          0.08972           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   0.00731   2.42736   271423.31
  2  1    1.46000   0.03000   300.000   0.00000   34.0613   0.00289   1.44985   0.01015   0.33828   34.0484   0.01283   4.43940   1104.7031
  3  1    2.64000   0.04000   300.000   0.00000   32.6838   0.00379   2.67379   -0.0338   0.84481   32.7179   -0.0340   8.97482   619.47388
  4  1    4.15000   0.06000   300.000   0.00000   31.3146   0.00319   4.20766   -0.0577   0.96101   31.3607   -0.0461   14.4396   276.54507
  5  1    6.03000   0.06000   300.000   0.00000   29.9937   0.00422   6.07098   -0.0410   0.68304   30.0197   -0.0260   6.17383   274.41180
  6  1    7.83000   0.06000   300.000   0.00000   28.9302   0.00283   7.91688   -0.0869   1.44804   28.9760   -0.0458   16.1879   275.55084
  7  1    10.0100   0.03000   300.000   0.00000   27.9112   0.00265   10.0454   -0.0354   1.17849   27.9267   -0.0155   5.84066   1067.4900
  8  1    11.8400   0.06000   300.000   0.00000   27.1534   0.00289   11.9039   -0.0639   1.06506   27.1778   -0.0244   8.43341   273.39050
  9  1    13.4900   0.06000   300.000   0.00000   26.5829   0.00355   13.4847   0.00532   0.08864   26.5811   0.00182   0.51212   269.73199
 10  1    14.8600   0.03000   300.000   0.00000   26.1094   0.00295   14.9311   -0.0711   2.36909   26.1317   -0.0223   7.55998   1011.4764
 11  1    16.9700   0.06000   300.000   0.00000   25.4951   0.00223   17.0115   -0.0415   0.69145   25.5067   -0.0116   5.19254   272.94693
 12  1    18.7100   0.08000   300.000   0.00000   25.0511   0.00169   18.6756   0.03438   0.42975   25.0423   0.00878   5.20896   155.19693
 13  1    20.1900   0.00000   300.000   0.00000   24.6826   0.00193   20.1703   0.01974       INF   24.6779   0.00469   2.43481   15261.214
 14  1    22.4900   0.03000   300.000   0.00000   24.1595   0.00229   22.4866   0.00337   0.11241   24.1588   0.00072   0.31672   986.30682
 15  1    24.3400   0.03000   300.000   0.00000   23.7741   0.00235   24.3543   -0.0143   0.47690   23.7770   -0.0028   1.21086   962.09998
 16  1    26.0500   0.02000   300.000   0.00000   23.4336   0.00271   26.1301   -0.0801   4.00410   23.4484   -0.0149   5.48423   1629.6522
 17  1    2.43000   0.07000   500.000   30.0000   33.5903   0.00361   2.36769   0.06231   0.89009   33.5177   0.07260   20.0918   88.317070
 18  1    2.66000   0.07000   600.000   30.0000   33.6499   0.00361   2.58431   0.07569   1.08124   33.5609   0.08902   24.6368   88.069695
 19  1    2.83000   0.07000   700.000   30.0000   33.7595   0.00361   2.76049   0.06951   0.99302   33.6761   0.08337   23.0722   87.906174
 20  1    2.97000   0.07000   800.000   30.0000   33.9106   0.00422   2.90516   0.06484   0.92631   33.8308   0.07985   18.9427   87.762047
 21  1    2.96000   0.07000   900.000   30.0000   34.3087   0.00361   2.86317   0.09683   1.38328   34.1817   0.12703   35.1573   87.652031
 22  1    2.95000   0.07000   1000.00   30.0000   34.6761   0.00422   2.86345   0.08655   1.23647   34.5552   0.12088   28.6761   87.527245
 23  1    2.92000   0.07000   1100.00   30.0000   35.0434   0.00542   2.88017   0.03983   0.56901   34.9839   0.05949   10.9769   87.396179
 24  1    2.89000   0.07000   1200.00   30.0000   35.5926   0.00964   2.80015   0.08985   1.28352   35.4465   0.14611   15.1643   87.114174
 25  1    5.03000   0.07000   500.000   30.0000   31.1176   0.00422   4.98546   0.04454   0.63635   31.0833   0.03424   8.12123   88.849991
 26  1    5.28000   0.07000   600.000   30.0000   31.1411   0.00422   5.22048   0.05952   0.85028   31.0952   0.04591   10.8907   88.539375
 27  1    5.40000   0.07000   700.000   30.0000   31.2531   0.00422   5.34344   0.05656   0.80801   31.2086   0.04451   10.5582   88.334915
 28  1    5.48000   0.07000   800.000   30.0000   31.3958   0.00422   5.43168   0.04832   0.69030   31.3568   0.03901   9.25329   88.192307
 29  1    5.54000   0.07000   900.000   30.0000   31.5765   0.00422   5.47915   0.06085   0.86931   31.5258   0.05064   12.0128   88.081848
 30  1    5.56000   0.07000   1000.00   30.0000   31.8077   0.00482   5.47532   0.08468   1.20976   31.7345   0.07321   15.1968   87.935020
 31  1    5.54000   0.07000   1100.00   30.0000   32.0751   0.00602   5.44260   0.09740   1.39144   31.9870   0.08807   14.6250   87.737785
 32  1    5.49000   0.07000   1200.00   30.0000   32.3413   0.00602   5.42492   0.06508   0.92970   32.2795   0.06175   10.2536   87.682465
 33  1    5.44000   0.07000   1300.00   30.0000   32.6394   0.00723   5.38834   0.05166   0.73794   32.5878   0.05162   7.14316   87.509567
 34  1    5.44000   0.07000   1400.00   30.0000   32.9682   0.00843   5.33814   0.10186   1.45515   32.8610   0.10718   12.7124   87.342506
 35  1    8.34000   0.07000   500.000   30.0000   28.8906   0.00482   8.51372   -0.1737   2.48169   28.9820   -0.0914   18.9820   89.124466
 36  1    8.30000   0.07000   600.000   30.0000   29.1339   0.00422   8.32154   -0.0215   0.30772   29.1457   -0.0118   2.79033   88.867645
 37  1    8.30000   0.07000   700.000   30.0000   29.3477   0.00361   8.20178   0.09822   1.40310   29.2923   0.05540   15.3310   88.729828
 38  1    8.29000   0.07000   800.000   30.0000   29.5669   0.00361   8.08795   0.20205   2.88647   29.4490   0.11786   32.6188   88.549637
 39  1    8.25000   0.07000   900.000   30.0000   29.7752   0.00361   8.00680   0.24320   3.47428   29.6284   0.14684   40.6398   88.421349
 40  1    8.17000   0.07000   1000.00   30.0000   29.9493   0.00301   7.99289   0.17711   2.53014   29.8386   0.11065   36.7494   88.405518
 41  1    8.10000   0.07000   1100.00   30.0000   30.1950   0.00301   7.87831   0.22169   3.16697   30.0508   0.14423   47.8986   88.314674
 42  1    7.98000   0.07000   1200.00   30.0000   30.4907   0.00361   7.70782   0.27218   3.88823   30.3048   0.18584   51.4326   88.163734
 43  1    7.77000   0.07000   1300.00   30.0000   30.8291   0.00422   7.50140   0.26860   3.83713   30.6347   0.19444   46.1257   88.019150
 44  1    7.53000   0.07000   1400.00   30.0000   31.2374   0.00542   7.23344   0.29656   4.23658   31.0077   0.22978   42.3948   87.804405
 45  1    7.29000   0.07000   1500.00   30.0000   31.6331   0.00542   7.01727   0.27273   3.89614   31.4067   0.22637   41.7663   87.754440
 46  1    6.95000   0.07000   1600.00   30.0000   32.0462   0.00723   6.81405   0.13595   1.94216   31.9239   0.12226   16.9183   87.492020
 47  1    6.71000   0.07000   1700.00   30.0000   32.4979   0.00903   6.60400   0.10600   1.51428   32.3947   0.10317   11.4215   87.231323
 48  1    5.93000   0.07000   500.000   30.0000   30.3654   0.00422   6.02733   -0.0973   1.39050   30.4317   -0.0663   15.7194   89.009735
 49  1    6.18000   0.07000   600.000   30.0000   30.3678   0.00422   6.28861   -0.1086   1.55164   30.4419   -0.0741   17.5704   88.678490
 50  1    6.32000   0.07000   700.000   30.0000   30.3690   0.00422   6.55242   -0.2324   3.32022   30.5288   -0.1598   37.9018   88.476898
<-------------------------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   30.3690   0.00422   6.81846   -0.2885   4.12088   30.5681   -0.1991   47.2238   88.344482
 52  1    6.76000   0.07000   900.000   30.0000   30.3745   0.00422   7.07683   -0.3168   4.52620   30.5938   -0.2193   52.0317   88.252571
 53  1    7.03000   0.07000   1000.00   30.0000   30.3714   0.00422   7.34785   -0.3178   4.54067   30.5915   -0.2200   52.1959   88.187309
 54  1    7.38000   0.07000   1100.00   30.0000   30.3431   0.00422   7.65635   -0.2763   3.94780   30.5331   -0.1899   45.0579   88.142014
 55  1    7.71000   0.07000   1200.00   30.0000   30.3130   0.00422   7.96782   -0.2578   3.68321   30.4892   -0.1761   41.7857   88.108444
 56  1    8.04000   0.07000   1300.00   30.0000   30.2938   0.00422   8.26341   -0.2234   3.19165   30.4456   -0.1519   36.0254   88.080978
 57  1    8.35000   0.07000   1400.00   30.0000   30.2938   0.00422   8.53039   -0.1804   2.57701   30.4161   -0.1224   29.0240   88.057549
 58  1    8.73000   0.07000   1500.00   30.0000   30.3474   0.00422   8.71796   0.01204   0.17202   30.3392   0.00816   1.93472   88.033760
 59  1    8.71000   0.07000   1600.00   30.0000   30.4792   0.00422   8.79274   -0.0827   1.18201   30.5369   -0.0577   13.6842   88.004929
 60  1    8.71000   0.07000   1700.00   30.0000   30.6665   0.00422   8.79443   -0.0844   1.20614   30.7274   -0.0608   14.4340   87.970573
 61  1    8.62000   0.07000   1800.00   30.0000   30.9791   0.00482   8.63759   -0.0176   0.25133   30.9924   -0.0133   2.76895   87.854782
 62  1    7.04000   0.07000   500.000   30.0000   29.6464   0.00301   7.15915   -0.1192   1.70218   29.7180   -0.0716   23.7701   89.346092
 63  1    7.32000   0.07000   600.000   30.0000   29.6693   0.00301   7.38516   -0.0652   0.93086   29.7085   -0.0392   13.0211   88.982956
 64  1    7.52000   0.07000   700.000   30.0000   29.6789   0.00301   7.63419   -0.1142   1.63130   29.7479   -0.0690   22.9263   88.762703
 65  1    7.78000   0.07000   800.000   30.0000   29.6819   0.00301   7.89475   -0.1148   1.63934   29.7514   -0.0694   23.0631   88.619003
 66  1    8.03000   0.07000   900.000   30.0000   29.6873   0.00301   8.15167   -0.1217   1.73813   29.7611   -0.0737   24.4922   88.519142
 67  1    8.26000   0.07000   1000.00   30.0000   29.6699   0.00301   8.44684   -0.1868   2.66920   29.7832   -0.1133   37.6444   88.452293
 68  1    8.59000   0.07000   1100.00   30.0000   29.6392   0.00301   8.76440   -0.1744   2.49150   29.7444   -0.1052   34.9390   88.404533
 69  1    8.95000   0.07000   1200.00   30.0000   29.5952   0.00301   9.10465   -0.1547   2.20934   29.6877   -0.0925   30.7196   88.370705
 70  1    9.32000   0.07000   1300.00   30.0000   29.5506   0.00361   9.44653   -0.1265   1.80762   29.6256   -0.0750   20.7554   88.255592
 71  1    9.66000   0.07000   1400.00   30.0000   29.5157   0.00361   9.77256   -0.1126   1.60803   29.5820   -0.0663   18.3419   88.233948
 72  1    10.0200   0.07000   1500.00   30.0000   29.4844   0.00422   10.0928   -0.0728   1.03971   29.5269   -0.0425   10.0921   88.110062
 73  1    10.3000   0.07000   1600.00   30.0000   29.4729   0.00422   10.3791   -0.0791   1.12946   29.5191   -0.0462   10.9478   88.094566
 74  1    10.4700   0.07000   1700.00   30.0000   29.4681   0.00422   10.6540   -0.1840   2.62876   29.5761   -0.1079   25.6075   88.081322
 75  1    10.6100   0.07000   1800.00   30.0000   29.5482   0.00422   10.7839   -0.1739   2.48394   29.6517   -0.1034   24.5392   88.063232
 76  1    12.5300   0.07000   500.000   30.0000   26.9575   0.00723   12.9444   -0.4144   5.91965   27.1119   -0.1545   21.3738   87.461090
 77  1    12.9200   0.07000   700.000   30.0000   27.0310   0.00542   13.2707   -0.3507   5.00962   27.1633   -0.1323   24.4144   88.050682
 78  1    13.1700   0.07000   900.000   30.0000   27.1406   0.00422   13.5075   -0.3375   4.82081   27.2706   -0.1300   30.8361   88.397682
 79  1    13.6100   0.07000   1100.00   30.0000   27.2183   0.00361   13.8340   -0.2240   3.20057   27.3055   -0.0873   24.1475   88.493782
 80  1    13.4700   0.07000   1300.00   30.0000   27.5916   0.00301   13.4305   0.03954   0.56490   27.5753   0.01635   5.42863   88.584770
 81  1    13.1400   0.07000   1400.00   30.0000   27.8421   0.00361   13.1045   0.03546   0.50661   27.8268   0.01535   4.24884   88.364769
 82  1    12.9700   0.07000   1500.00   30.0000   28.1137   0.00422   12.7590   0.21095   3.01358   28.0185   0.09528   22.6032   88.152611
 83  1    12.6200   0.07000   1600.00   30.0000   28.3197   0.00602   12.5813   0.03874   0.55344   28.3014   0.01829   3.03769   87.501137
 84  1    12.2400   0.07000   1700.00   30.0000   28.6678   0.00602   12.1342   0.10575   1.51073   28.6148   0.05303   8.80521   87.556419
 85  1    9.89000   0.07000   500.000   30.0000   28.1806   0.00361   9.96370   -0.0737   1.05287   28.2146   -0.0340   9.40614   89.557983
 86  1    10.2500   0.07000   700.000   30.0000   28.2510   0.00361   10.3384   -0.0884   1.26313   28.2924   -0.0414   11.4448   88.879066
 87  1    10.6100   0.07000   900.000   30.0000   28.3335   0.00361   10.6923   -0.0823   1.17542   28.3726   -0.0391   10.8156   88.594055
 88  1    10.9600   0.07000   1100.00   30.0000   28.4034   0.00422   11.0764   -0.1164   1.66328   28.4595   -0.0561   13.3110   88.283867
 89  1    11.3500   0.07000   1300.00   30.0000   28.3956   0.00662   11.6242   -0.2742   3.91696   28.5285   -0.1330   20.0722   87.329353
 90  1    11.5900   0.07000   1400.00   30.0000   28.4426   0.00361   11.7925   -0.2025   2.89217   28.5413   -0.0987   27.3237   88.333084
 91  1    11.7800   0.07000   1500.00   30.0000   28.4672   0.00361   12.0075   -0.2275   3.24947   28.5788   -0.1116   30.8810   88.309776
 92  1    12.9500   0.07000   500.000   30.0000   27.0249   0.00301   12.7620   0.18804   2.68623   26.9554   0.06952   23.0866   89.958427
 93  1    13.1200   0.07000   600.000   30.0000   27.0376   0.00301   12.9899   0.13006   1.85802   26.9893   0.04831   16.0445   89.483231
 94  1    13.3300   0.07000   700.000   30.0000   27.0412   0.00301   13.2432   0.08676   1.23948   27.0089   0.03231   10.7299   89.194550
 95  1    13.5600   0.07000   800.000   30.0000   27.0508   0.00301   13.4811   0.07891   1.12726   27.0214   0.02945   9.77977   89.009079
 96  1    13.7700   0.07000   900.000   30.0000   27.0665   0.00301   13.7034   0.06660   0.95136   27.0415   0.02495   8.28484   88.877365
 97  1    13.9800   0.07000   1000.00   30.0000   27.0629   0.00241   13.9774   0.00257   0.03666   27.0619   0.00097   0.40145   88.968475
 98  1    14.2300   0.07000   1100.00   30.0000   27.0538   0.00241   14.2661   -0.0361   0.51624   27.0674   -0.0136   5.62975   88.901016
 99  1    14.4700   0.07000   1200.00   30.0000   27.0418   0.00241   14.5631   -0.0931   1.32983   27.0767   -0.0349   14.5004   88.846931
100  1    14.7500   0.07000   1300.00   30.0000   27.0249   0.00241   14.8731   -0.1231   1.75888   27.0711   -0.0461   19.1443   88.809471
<-------------------------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   27.0237   0.00241   15.1413   -0.1313   1.87637   27.0729   -0.0492   20.4294   88.776894
102  1    15.2200   0.07000   1500.00   30.0000   27.0538   0.00301   15.3259   -0.1059   1.51339   27.0937   -0.0399   13.2473   88.563904
103  1    15.3600   0.07000   1600.00   30.0000   27.1225   0.00301   15.4093   -0.0493   0.70398   27.1413   -0.0188   6.22994   88.538582
104  1    15.3200   0.07000   1700.00   30.0000   27.2568   0.00301   15.3256   -0.0056   0.07988   27.2590   -0.0022   0.72466   88.513878
105  1    15.1700   0.07000   1800.00   30.0000   27.4134   0.00301   15.1950   -0.0250   0.35736   27.4234   -0.0100   3.33573   88.488884
106  1    20.3900   0.07000   800.000   30.0000   24.8925   0.00542   20.5988   -0.2088   2.98236   24.9446   -0.0521   9.61043   86.471680
107  1    20.1500   0.07000   500.000   30.0000   24.8052   0.00542   20.1712   -0.0212   0.30300   24.8104   -0.0052   0.95580   87.482765
108  1    20.2400   0.07000   600.000   30.0000   24.8335   0.00482   20.3151   -0.0751   1.07321   24.8519   -0.0185   3.83156   87.733223
109  1    20.3700   0.07000   700.000   30.0000   24.8660   0.00542   20.4440   -0.0740   1.05686   24.8843   -0.0183   3.37591   86.655708
110  1    20.4400   0.07000   800.000   30.0000   24.9190   0.00482   20.4923   -0.0523   0.74700   24.9321   -0.0131   2.71234   87.245903
111  1    20.5200   0.07000   900.000   30.0000   24.9991   0.00422   20.4363   0.08369   1.19558   24.9779   0.02118   5.02323   87.796623
112  1    20.4600   0.07000   1000.00   30.0000   25.0900   0.00361   20.3437   0.11627   1.66106   25.0601   0.02992   8.28178   88.288025
113  1    20.2500   0.07000   1100.00   30.0000   25.1822   0.00361   20.2532   -0.0032   0.04553   25.1830  -0.00084   0.23279   88.231697
114  1    20.0300   0.07000   1200.00   30.0000   25.3165   0.00301   20.0124   0.01762   0.25177   25.3117   0.00475   1.57665   88.638168
115  1    19.7400   0.07000   1300.00   30.0000   25.4881   0.00301   19.6505   0.08949   1.27836   25.4632   0.02490   8.27027   88.605186
116  1    19.3700   0.07000   1400.00   30.0000   25.7031   0.00301   19.1596   0.21039   3.00560   25.6423   0.06082   20.1981   88.583771
117  1    19.0100   0.07000   1500.00   30.0000   25.9151   0.00301   18.7095   0.30051   4.29298   25.8248   0.09023   29.9645   88.571075
118  1    18.5500   0.07000   1600.00   30.0000   26.1361   0.00361   18.2594   0.29064   4.15200   26.0451   0.09101   25.1890   88.242111
119  1    18.0600   0.07000   1700.00   30.0000   26.3890   0.00422   17.7423   0.31767   4.53807   26.2848   0.10425   24.7302   87.921738
120  1    17.4500   0.07000   1800.00   30.0000   26.6642   0.00361   17.1981   0.25191   3.59865   26.5770   0.08722   24.1390   88.266281
121  1    14.8100   0.07000   500.000   30.0000   26.3944   0.00181   14.5599   0.25006   3.57229   26.3123   0.08208   45.4328   90.498299
122  1    16.2300   0.07000   1300.00   30.0000   26.5865   0.00241   16.0980   0.13200   1.88569   26.5414   0.04517   18.7532   88.857841

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 122 DATA:
      CHI^2 (WEIGHTED)=   2.4674
      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_legacy_na_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_legacy_na_precise_theta/fitted.eos


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


EOSFIT-7.6>
***** Macro completed

EOSFIT-7.6>