***********************************************************************************************************************
*                                                                                                                     *
*                                                     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_floor_0p005_precise_theta/run.mcr

***** Running macro

EOSFIT-7.6>log /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbcl/weighted_floor_0p005_precise_theta/run.log


Successfully opened Log file
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbcl/weighted_floor_0p005_precise_theta/run.log


EOSFIT-7.6>read /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbcl/weighted_floor_0p005_precise_theta/input.dat


Successfully opened data file
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbcl/weighted_floor_0p005_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   0.00500   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   0.00500   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:  P, V
      Esds available for some data points for:  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_floor_0p005_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_floor_0p005_precise_theta/initial.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbcl/weighted_floor_0p005_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   0.00500   300.000   0.00000   35.3469   0.00301   0.53449   0.00551   1.10182   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   0.00500   300.000   0.00000   24.6826   0.00193   20.1553   0.03468   6.93665   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:     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        19.76329         -0.12671          0.11445          -1.11
 Kp      1         5.03750          0.03750          0.03157           1.19
 Kpp     0        -0.30373  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.03999  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.97771          0.01771          0.04232           0.42
 q       1         1.05187          0.00187          0.08890           0.02
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.41 (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        19.76407          0.00078          0.11302           0.01
 Kp      1         5.03752          0.00001          0.03159           0.00
 Kpp     0        -0.30373  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.03999  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.97763         -0.00008          0.04194          -0.00
 q       1         1.05184         -0.00003          0.08735          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.35 (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        19.76407          0.00078          0.11302           0.01
 Kp      1         5.03752          0.00001          0.03159           0.00
 Kpp     0        -0.30373  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.03999  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.97763         -0.00008          0.04194          -0.00
 q       1         1.05184         -0.00003          0.08735          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.35 (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   0.00500   300.000   0.00000   35.3469   0.00301   0.53136   0.00864   1.72853   35.3333   0.01362   4.52407   34925.039
  2  1    1.46000   0.03000   300.000   0.00000   34.0613   0.00289   1.44023   0.01977   0.65907   34.0362   0.02511   8.68744   1104.7489
  3  1    2.64000   0.04000   300.000   0.00000   32.6838   0.00379   2.65831   -0.0183   0.45776   32.7023   -0.0185   4.87753   619.53870
  4  1    4.15000   0.06000   300.000   0.00000   31.3146   0.00319   4.18693   -0.0369   0.61547   31.3442   -0.0296   9.26025   276.55240
  5  1    6.03000   0.06000   300.000   0.00000   29.9937   0.00422   6.04627   -0.0163   0.27116   30.0040   -0.0103   2.45053   274.41373
  6  1    7.83000   0.06000   300.000   0.00000   28.9302   0.00283   7.89023   -0.0602   1.00378   28.9619   -0.0317   11.2140   275.55707
  7  1    10.0100   0.03000   300.000   0.00000   27.9112   0.00265   10.0185   -0.0085   0.28232   27.9149   -0.0037   1.39862   1067.7006
  8  1    11.8400   0.06000   300.000   0.00000   27.1534   0.00289   11.8783   -0.0383   0.63834   27.1680   -0.0146   5.04579   273.38943
  9  1    13.4900   0.06000   300.000   0.00000   26.5829   0.00355   13.4611   0.02890   0.48172   26.5731   0.00987   2.77857   269.68304
 10  1    14.8600   0.03000   300.000   0.00000   26.1094   0.00295   14.9100   -0.0500   1.66661   26.1251   -0.0157   5.30478   1010.8693
 11  1    16.9700   0.06000   300.000   0.00000   25.4952   0.00223   16.9950   -0.0250   0.41682   25.5021   -0.0070   3.12357   272.91513
 12  1    18.7100   0.08000   300.000   0.00000   25.0511   0.00169   18.6636   0.04642   0.58031   25.0393   0.01182   7.01201   155.18845
 13  1    20.1900   0.00500   300.000   0.00000   24.6826   0.00193   20.1627   0.02729   5.45731   24.6761   0.00646   3.35330   11012.756
 14  1    22.4900   0.03000   300.000   0.00000   24.1595   0.00229   22.4870   0.00298   0.09937   24.1589   0.00064   0.27838   985.19653
 15  1    24.3400   0.03000   300.000   0.00000   23.7741   0.00235   24.3618   -0.0218   0.72708   23.7785   -0.0043   1.83780   960.59717
 16  1    26.0500   0.02000   300.000   0.00000   23.4336   0.00271   26.1449   -0.0949   4.74482   23.4511   -0.0175   6.47240   1624.4744
 17  1    2.43000   0.07000   500.000   30.0000   33.5903   0.00361   2.35999   0.07001   1.00016   33.5084   0.08191   22.6700   87.569458
 18  1    2.66000   0.07000   600.000   30.0000   33.6499   0.00361   2.57887   0.08113   1.15907   33.5541   0.09584   26.5245   87.323051
 19  1    2.83000   0.07000   700.000   30.0000   33.7595   0.00361   2.75749   0.07251   1.03581   33.6722   0.08736   24.1786   87.161095
 20  1    2.97000   0.07000   800.000   30.0000   33.9107   0.00422   2.90477   0.06523   0.93181   33.8299   0.08072   19.1491   87.021278
 21  1    2.96000   0.07000   900.000   30.0000   34.3087   0.00361   2.86639   0.09361   1.33723   34.1852   0.12350   34.1797   86.919411
 22  1    2.95000   0.07000   1000.00   30.0000   34.6761   0.00422   2.87012   0.07988   1.14110   34.5638   0.11227   26.6319   86.802483
 23  1    2.92000   0.07000   1100.00   30.0000   35.0434   0.00542   2.89027   0.02973   0.42477   34.9987   0.04473   8.25379   86.680542
 24  1    2.89000   0.07000   1200.00   30.0000   35.5927   0.00964   2.81435   0.07565   1.08073   35.4686   0.12405   12.8740   86.414581
 25  1    5.03000   0.07000   500.000   30.0000   31.1176   0.00422   4.96825   0.06175   0.88215   31.0701   0.04753   11.2749   88.049965
 26  1    5.28000   0.07000   600.000   30.0000   31.1411   0.00422   5.20549   0.07451   1.06444   31.0835   0.05756   13.6544   87.739563
 27  1    5.40000   0.07000   700.000   30.0000   31.2531   0.00422   5.33095   0.06905   0.98648   31.1987   0.05444   12.9132   87.536484
 28  1    5.48000   0.07000   800.000   30.0000   31.3958   0.00422   5.42178   0.05822   0.83169   31.3487   0.04709   11.1699   87.396797
 29  1    5.54000   0.07000   900.000   30.0000   31.5765   0.00422   5.47198   0.06802   0.97178   31.5198   0.05673   13.4585   87.291466
 30  1    5.56000   0.07000   1000.00   30.0000   31.8077   0.00482   5.47103   0.08897   1.27098   31.7306   0.07711   16.0060   87.150192
 31  1    5.54000   0.07000   1100.00   30.0000   32.0751   0.00602   5.44134   0.09866   1.40941   31.9857   0.08947   14.8575   86.961716
 32  1    5.49000   0.07000   1200.00   30.0000   32.3413   0.00602   5.42667   0.06333   0.90466   32.2810   0.06029   10.0116   86.912468
 33  1    5.44000   0.07000   1300.00   30.0000   32.6394   0.00723   5.39323   0.04677   0.66814   32.5925   0.04693   6.49440   86.747475
 34  1    5.44000   0.07000   1400.00   30.0000   32.9682   0.00843   5.34626   0.09374   1.33921   32.8691   0.09907   11.7509   86.591080
 35  1    8.34000   0.07000   500.000   30.0000   28.8906   0.00482   8.49144   -0.1514   2.16342   28.9703   -0.0797   16.5389   88.281448
 36  1    8.30000   0.07000   600.000   30.0000   29.1339   0.00422   8.30177   -0.0018   0.02534   29.1349  -0.00097   0.22985   88.023209
 37  1    8.30000   0.07000   700.000   30.0000   29.3477   0.00361   8.18457   0.11543   1.64896   29.2826   0.06510   18.0178   87.886375
 38  1    8.29000   0.07000   800.000   30.0000   29.5669   0.00361   8.07331   0.21669   3.09559   29.4405   0.12642   34.9878   87.711769
 39  1    8.25000   0.07000   900.000   30.0000   29.7753   0.00361   7.99478   0.25522   3.64605   29.6211   0.15417   42.6678   87.587929
 40  1    8.17000   0.07000   1000.00   30.0000   29.9493   0.00301   7.98343   0.18657   2.66527   29.8327   0.11665   38.7396   87.573898
 41  1    8.10000   0.07000   1100.00   30.0000   30.1950   0.00301   7.87158   0.22842   3.26308   30.0463   0.14875   49.3999   87.489128
 42  1    7.98000   0.07000   1200.00   30.0000   30.4907   0.00361   7.70398   0.27602   3.94316   30.3020   0.18872   52.2307   87.347031
 43  1    7.77000   0.07000   1300.00   30.0000   30.8291   0.00422   7.50058   0.26942   3.84884   30.6338   0.19538   46.3474   87.212120
 44  1    7.53000   0.07000   1400.00   30.0000   31.2374   0.00542   7.23591   0.29409   4.20135   31.0091   0.22839   42.1385   87.008026
 45  1    7.29000   0.07000   1500.00   30.0000   31.6331   0.00542   7.02303   0.26697   3.81382   31.4109   0.22221   40.9987   86.968147
 46  1    6.95000   0.07000   1600.00   30.0000   32.0462   0.00723   6.82321   0.12679   1.81132   31.9318   0.11442   15.8338   86.717644
 47  1    6.71000   0.07000   1700.00   30.0000   32.4979   0.00903   6.61669   0.09331   1.33293   32.4067   0.09120   10.0963   86.471832
 48  1    5.93000   0.07000   500.000   30.0000   30.3654   0.00422   6.00787   -0.0779   1.11241   30.4185   -0.0530   12.5843   88.193741
 49  1    6.18000   0.07000   600.000   30.0000   30.3678   0.00422   6.27133   -0.0913   1.30467   30.4302   -0.0623   14.7846   87.861664
 50  1    6.32000   0.07000   700.000   30.0000   30.3691   0.00422   6.53731   -0.2173   3.10446   30.5186   -0.1495   35.4716   87.659233
<-------------------------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   6.80555   -0.2755   3.93638   30.5594   -0.1904   45.1565   87.527000
 52  1    6.76000   0.07000   900.000   30.0000   30.3745   0.00422   7.06612   -0.3061   4.37322   30.5866   -0.2122   50.3309   87.434669
 53  1    7.03000   0.07000   1000.00   30.0000   30.3715   0.00422   7.33933   -0.3093   4.41894   30.5859   -0.2144   50.8602   87.369499
 54  1    7.38000   0.07000   1100.00   30.0000   30.3432   0.00422   7.64996   -0.2700   3.85651   30.5290   -0.1858   44.0751   87.323395
 55  1    7.71000   0.07000   1200.00   30.0000   30.3130   0.00422   7.96356   -0.2536   3.62230   30.4865   -0.1735   41.1509   87.287994
 56  1    8.04000   0.07000   1300.00   30.0000   30.2938   0.00422   8.26131   -0.2213   3.16157   30.4444   -0.1507   35.7381   87.261101
 57  1    8.35000   0.07000   1400.00   30.0000   30.2938   0.00422   8.53049   -0.1805   2.57844   30.4164   -0.1226   29.0856   87.237823
 58  1    8.73000   0.07000   1500.00   30.0000   30.3474   0.00422   8.72038   0.00962   0.13738   30.3409   0.00652   1.54742   87.215752
 59  1    8.71000   0.07000   1600.00   30.0000   30.4793   0.00422   8.79765   -0.0876   1.25208   30.5405   -0.0612   14.5208   87.188179
 60  1    8.71000   0.07000   1700.00   30.0000   30.6665   0.00422   8.80193   -0.0919   1.31329   30.7329   -0.0664   15.7511   87.159950
 61  1    8.62000   0.07000   1800.00   30.0000   30.9791   0.00482   8.64802   -0.0280   0.40026   31.0004   -0.0213   4.41868   87.049995
 62  1    7.04000   0.07000   500.000   30.0000   29.6464   0.00301   7.13799   -0.0980   1.39993   29.7053   -0.0589   19.5513   88.510849
 63  1    7.32000   0.07000   600.000   30.0000   29.6693   0.00301   7.36626   -0.0463   0.66083   29.6971   -0.0278   9.24640   88.146942
 64  1    7.52000   0.07000   700.000   30.0000   29.6789   0.00301   7.61752   -0.0975   1.39318   29.7379   -0.0590   19.5861   87.926247
 65  1    7.78000   0.07000   800.000   30.0000   29.6819   0.00301   7.88033   -0.1003   1.43326   29.7427   -0.0607   20.1689   87.782036
 66  1    8.03000   0.07000   900.000   30.0000   29.6873   0.00301   8.13948   -0.1095   1.56396   29.7537   -0.0664   22.0509   87.682739
 67  1    8.26000   0.07000   1000.00   30.0000   29.6699   0.00301   8.43686   -0.1769   2.52664   29.7772   -0.1074   35.6547   87.614754
 68  1    8.59000   0.07000   1100.00   30.0000   29.6392   0.00301   8.75661   -0.1666   2.38022   29.7397   -0.1006   33.3978   87.566124
 69  1    8.95000   0.07000   1200.00   30.0000   29.5952   0.00301   9.09903   -0.1490   2.12906   29.6844   -0.0892   29.6212   87.530182
 70  1    9.32000   0.07000   1300.00   30.0000   29.5506   0.00361   9.44310   -0.1231   1.75855   29.6237   -0.0730   20.2059   87.416046
 71  1    9.66000   0.07000   1400.00   30.0000   29.5157   0.00361   9.77134   -0.1113   1.59057   29.5813   -0.0656   18.1561   87.394562
 72  1    10.0200   0.07000   1500.00   30.0000   29.4844   0.00422   10.0938   -0.0738   1.05380   29.5276   -0.0432   10.2374   87.272766
 73  1    10.3000   0.07000   1600.00   30.0000   29.4730   0.00422   10.3823   -0.0823   1.17561   29.5210   -0.0481   11.4061   87.255959
 74  1    10.4700   0.07000   1700.00   30.0000   29.4681   0.00422   10.6595   -0.1895   2.70718   29.5794   -0.1113   26.3943   87.240219
 75  1    10.6100   0.07000   1800.00   30.0000   29.5482   0.00422   10.7917   -0.1817   2.59564   29.6565   -0.1082   25.6726   87.226982
 76  1    12.5300   0.07000   500.000   30.0000   26.9575   0.00723   12.9240   -0.3940   5.62810   27.1041   -0.1466   20.2827   86.604279
 77  1    12.9200   0.07000   700.000   30.0000   27.0310   0.00542   13.2547   -0.3347   4.78202   27.1571   -0.1261   23.2657   87.173576
 78  1    13.1700   0.07000   900.000   30.0000   27.1406   0.00422   13.4960   -0.3260   4.65672   27.2660   -0.1254   29.7412   87.509880
 79  1    13.6100   0.07000   1100.00   30.0000   27.2183   0.00361   13.8271   -0.2171   3.10172   27.3027   -0.0844   23.3689   87.601006
 80  1    13.4700   0.07000   1300.00   30.0000   27.5916   0.00301   13.4274   0.04264   0.60910   27.5740   0.01761   5.84797   87.694626
 81  1    13.1400   0.07000   1400.00   30.0000   27.8422   0.00361   13.1033   0.03666   0.52368   27.8263   0.01586   4.38925   87.485443
 82  1    12.9700   0.07000   1500.00   30.0000   28.1138   0.00422   12.7598   0.21016   3.00228   28.0189   0.09488   22.5068   87.284172
 83  1    12.6200   0.07000   1600.00   30.0000   28.3197   0.00602   12.5842   0.03579   0.51124   28.3028   0.01690   2.80616   86.647476
 84  1    12.2400   0.07000   1700.00   30.0000   28.6678   0.00602   12.1394   0.10063   1.43756   28.6173   0.05046   8.37890   86.709480
 85  1    9.89000   0.07000   500.000   30.0000   28.1806   0.00361   9.94119   -0.0512   0.73132   28.2042   -0.0236   6.52396   88.692505
 86  1    10.2500   0.07000   700.000   30.0000   28.2511   0.00361   10.3205   -0.0705   1.00692   28.2840   -0.0329   9.11475   88.012581
 87  1    10.6100   0.07000   900.000   30.0000   28.3336   0.00361   10.6790   -0.0690   0.98501   28.3663   -0.0327   9.05563   87.725861
 88  1    10.9600   0.07000   1100.00   30.0000   28.4034   0.00422   11.0677   -0.1077   1.53884   28.4553   -0.0519   12.3097   87.424545
 89  1    11.3500   0.07000   1300.00   30.0000   28.3956   0.00662   11.6201   -0.2701   3.85885   28.5265   -0.1309   19.7672   86.483185
 90  1    11.5900   0.07000   1400.00   30.0000   28.4426   0.00361   11.7907   -0.2007   2.86698   28.5404   -0.0979   27.0808   87.466537
 91  1    11.7800   0.07000   1500.00   30.0000   28.4673   0.00361   12.0080   -0.2280   3.25715   28.5791   -0.1118   30.9523   87.445625
 92  1    12.9500   0.07000   500.000   30.0000   27.0250   0.00301   12.7413   0.20866   2.98089   26.9480   0.07700   25.5709   89.063049
 93  1    13.1200   0.07000   600.000   30.0000   27.0376   0.00301   12.9716   0.14838   2.11975   26.9826   0.05501   18.2698   88.588684
 94  1    13.3300   0.07000   700.000   30.0000   27.0412   0.00301   13.2273   0.10272   1.46742   27.0030   0.03818   12.6797   88.298317
 95  1    13.5600   0.07000   800.000   30.0000   27.0509   0.00301   13.4675   0.09249   1.32136   27.0164   0.03446   11.4457   88.109772
 96  1    13.7700   0.07000   900.000   30.0000   27.0665   0.00301   13.6922   0.07784   1.11198   27.0374   0.02911   9.66828   87.977379
 97  1    13.9800   0.07000   1000.00   30.0000   27.0629   0.00241   13.9686   0.01141   0.16294   27.0586   0.00428   1.77523   88.065170
 98  1    14.2300   0.07000   1100.00   30.0000   27.0539   0.00241   14.2597   -0.0297   0.42483   27.0650   -0.0111   4.62336   87.994591
 99  1    14.4700   0.07000   1200.00   30.0000   27.0418   0.00241   14.5591   -0.0891   1.27328   27.0752   -0.0334   13.8630   87.940529
100  1    14.7500   0.07000   1300.00   30.0000   27.0250   0.00241   14.8716   -0.1216   1.73773   27.0705   -0.0455   18.8870   87.903870
<-------------------------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   15.1423   -0.1323   1.88975   27.0732   -0.0495   20.5466   87.869209
102  1    15.2200   0.07000   1500.00   30.0000   27.0539   0.00301   15.3292   -0.1092   1.55965   27.0949   -0.0410   13.6330   87.661324
103  1    15.3600   0.07000   1600.00   30.0000   27.1225   0.00301   15.4147   -0.0547   0.78115   27.1433   -0.0208   6.90519   87.636681
104  1    15.3200   0.07000   1700.00   30.0000   27.2568   0.00301   15.3329   -0.0129   0.18477   27.2618   -0.0050   1.67230   87.615486
105  1    15.1700   0.07000   1800.00   30.0000   27.4134   0.00301   15.2043   -0.0343   0.48970   27.4271   -0.0138   4.56651   87.595955
106  1    20.3900   0.07000   800.000   30.0000   24.8925   0.00542   20.6009   -0.2109   3.01258   24.9450   -0.0525   9.67869   85.553215
107  1    20.1500   0.07000   500.000   30.0000   24.8052   0.00542   20.1669   -0.0169   0.24139   24.8093   -0.0041   0.75908   86.575378
108  1    20.2400   0.07000   600.000   30.0000   24.8335   0.00482   20.3129   -0.0729   1.04198   24.8514   -0.0179   3.70724   86.816788
109  1    20.3700   0.07000   700.000   30.0000   24.8660   0.00542   20.4439   -0.0739   1.05517   24.8842   -0.0182   3.36078   85.749939
110  1    20.4400   0.07000   800.000   30.0000   24.9190   0.00482   20.4941   -0.0541   0.77253   24.9325   -0.0135   2.79706   86.318588
111  1    20.5200   0.07000   900.000   30.0000   24.9991   0.00422   20.4396   0.08036   1.14803   24.9788   0.02027   4.80785   86.871834
112  1    20.4600   0.07000   1000.00   30.0000   25.0900   0.00361   20.3485   0.11147   1.59247   25.0614   0.02861   7.91754   87.346741
113  1    20.2500   0.07000   1100.00   30.0000   25.1822   0.00361   20.2595   -0.0095   0.13586   25.1847   -0.0025   0.68940   87.293861
114  1    20.0300   0.07000   1200.00   30.0000   25.3165   0.00301   20.0198   0.01021   0.14580   25.3137   0.00274   0.91089   87.692207
115  1    19.7400   0.07000   1300.00   30.0000   25.4881   0.00301   19.6588   0.08123   1.16049   25.4656   0.02255   7.48859   87.667168
116  1    19.3700   0.07000   1400.00   30.0000   25.7031   0.00301   19.1684   0.20157   2.87961   25.6450   0.05814   19.3080   87.650192
117  1    19.0100   0.07000   1500.00   30.0000   25.9151   0.00301   18.7191   0.29093   4.15614   25.8279   0.08716   28.9478   87.639244
118  1    18.5500   0.07000   1600.00   30.0000   26.1361   0.00361   18.2698   0.28018   4.00260   26.0485   0.08758   24.2393   87.322762
119  1    18.0600   0.07000   1700.00   30.0000   26.3890   0.00422   17.7536   0.30637   4.37666   26.2886   0.10038   23.8112   87.012733
120  1    17.4500   0.07000   1800.00   30.0000   26.6642   0.00361   17.2103   0.23969   3.42421   26.5814   0.08287   22.9360   87.356293
121  1    14.8100   0.07000   500.000   30.0000   26.3944   0.00181   14.5419   0.26808   3.82977   26.3066   0.08780   48.5979   89.580605
122  1    16.2300   0.07000   1300.00   30.0000   26.5865   0.00241   16.0984   0.13160   1.88002   26.5416   0.04495   18.6621   87.941513

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 122 DATA:
      CHI^2 (WEIGHTED)=   2.3465
      MAXIMUM DELTA-PRESSURE=-0.394


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      K0        Kp        Gamm0     q
    K0   :     100.0     -99.5     -25.3       1.9
    Kp   :     -99.5     100.0      25.9      -0.4
    Gamm0:     -25.3      25.9     100.0      90.5
    q    :       1.9      -0.4      90.5     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     K0        Kp        Gamm0     q
    K0   :   0.01277  -0.00355  -0.00120   0.00019
    Kp   :  -0.00355   0.00100   0.00034  -0.00001
    Gamm0:  -0.00120   0.00034   0.00176   0.00332
    q    :   0.00019  -0.00001   0.00332   0.00763

*****WARNING:     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:  19.76(11)         :Bulk modulus: units are GPa
      Kp:  5.04(3)           :dK/dP: dimensionless
     Kpp: -0.3037            :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:  1.98(4)           :Gruneisen parameter at Tref,Pref
       q:  1.05(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:     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        19.76405         -0.00002          0.11301          -0.00
 Kp      1         5.03752          0.00000          0.03159           0.00
 Kpp     0        -0.30373  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.03999  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.97763         -0.00001          0.04194          -0.00
 q       1         1.05181         -0.00003          0.08735          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.35 (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        19.76405         -0.00002          0.11301          -0.00
 Kp      1         5.03752          0.00000          0.03159           0.00
 Kpp     0        -0.30373  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.03999  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         1.97763         -0.00001          0.04194          -0.00
 q       1         1.05181         -0.00003          0.08735          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.35 (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   0.00500   300.000   0.00000   35.3469   0.00301   0.53136   0.00864   1.72865   35.3333   0.01363   4.52533   34924.484
  2  1    1.46000   0.03000   300.000   0.00000   34.0613   0.00289   1.44023   0.01977   0.65911   34.0362   0.02512   8.68876   1104.7496
  3  1    2.64000   0.04000   300.000   0.00000   32.6838   0.00379   2.65831   -0.0183   0.45769   32.7023   -0.0185   4.87652   619.53870
  4  1    4.15000   0.06000   300.000   0.00000   31.3146   0.00319   4.18692   -0.0369   0.61541   31.3442   -0.0296   9.25966   276.55209
  5  1    6.03000   0.06000   300.000   0.00000   29.9937   0.00422   6.04626   -0.0163   0.27107   30.0040   -0.0103   2.45008   274.41373
  6  1    7.83000   0.06000   300.000   0.00000   28.9302   0.00283   7.89022   -0.0602   1.00368   28.9619   -0.0317   11.2120   275.55707
  7  1    10.0100   0.03000   300.000   0.00000   27.9112   0.00265   10.0185   -0.0085   0.28203   27.9149   -0.0037   1.39790   1067.7137
  8  1    11.8400   0.06000   300.000   0.00000   27.1534   0.00289   11.8783   -0.0383   0.63821   27.1680   -0.0146   5.04447   273.38943
  9  1    13.4900   0.06000   300.000   0.00000   26.5829   0.00355   13.4611   0.02891   0.48189   26.5731   0.00988   2.77964   269.68451
 10  1    14.8600   0.03000   300.000   0.00000   26.1094   0.00295   14.9100   -0.0500   1.66623   26.1251   -0.0156   5.30220   1010.8693
 11  1    16.9700   0.06000   300.000   0.00000   25.4952   0.00223   16.9950   -0.0250   0.41663   25.5021   -0.0070   3.12015   272.91513
 12  1    18.7100   0.08000   300.000   0.00000   25.0511   0.00169   18.6636   0.04644   0.58048   25.0393   0.01182   7.01201   155.18782
 13  1    20.1900   0.00500   300.000   0.00000   24.6826   0.00193   20.1627   0.02730   5.46036   24.6761   0.00647   3.35726   11005.254
 14  1    22.4900   0.03000   300.000   0.00000   24.1595   0.00229   22.4870   0.00300   0.09988   24.1589   0.00064   0.28088   985.27588
 15  1    24.3400   0.03000   300.000   0.00000   23.7741   0.00235   24.3618   -0.0218   0.72651   23.7785   -0.0043   1.83456   960.55536
 16  1    26.0500   0.02000   300.000   0.00000   23.4336   0.00271   26.1449   -0.0949   4.74396   23.4511   -0.0175   6.47100   1624.6222
 17  1    2.43000   0.07000   500.000   30.0000   33.5903   0.00361   2.35999   0.07001   1.00020   33.5084   0.08191   22.6700   87.572998
 18  1    2.66000   0.07000   600.000   30.0000   33.6499   0.00361   2.57886   0.08114   1.15911   33.5541   0.09585   26.5266   87.326866
 19  1    2.83000   0.07000   700.000   30.0000   33.7595   0.00361   2.75749   0.07251   1.03586   33.6721   0.08738   24.1818   87.165184
 20  1    2.97000   0.07000   800.000   30.0000   33.9107   0.00422   2.90477   0.06523   0.93187   33.8299   0.08072   19.1491   87.024803
 21  1    2.96000   0.07000   900.000   30.0000   34.3087   0.00361   2.86639   0.09361   1.33731   34.1852   0.12350   34.1807   86.922920
 22  1    2.95000   0.07000   1000.00   30.0000   34.6761   0.00422   2.87012   0.07988   1.14118   34.5638   0.11228   26.6346   86.806282
 23  1    2.92000   0.07000   1100.00   30.0000   35.0434   0.00542   2.89026   0.02974   0.42488   34.9987   0.04475   8.25591   86.684921
 24  1    2.89000   0.07000   1200.00   30.0000   35.5927   0.00964   2.81434   0.07566   1.08085   35.4686   0.12405   12.8748   86.418350
 25  1    5.03000   0.07000   500.000   30.0000   31.1176   0.00422   4.96825   0.06175   0.88220   31.0701   0.04753   11.2758   88.052925
 26  1    5.28000   0.07000   600.000   30.0000   31.1411   0.00422   5.20549   0.07451   1.06449   31.0835   0.05757   13.6557   87.742516
 27  1    5.40000   0.07000   700.000   30.0000   31.2531   0.00422   5.33094   0.06906   0.98654   31.1987   0.05444   12.9141   87.539978
 28  1    5.48000   0.07000   800.000   30.0000   31.3958   0.00422   5.42178   0.05822   0.83175   31.3487   0.04709   11.1708   87.400253
 29  1    5.54000   0.07000   900.000   30.0000   31.5765   0.00422   5.47197   0.06803   0.97184   31.5198   0.05674   13.4603   87.295502
 30  1    5.56000   0.07000   1000.00   30.0000   31.8077   0.00482   5.47103   0.08897   1.27102   31.7306   0.07712   16.0072   87.154297
 31  1    5.54000   0.07000   1100.00   30.0000   32.0751   0.00602   5.44134   0.09866   1.40948   31.9857   0.08948   14.8578   86.965263
 32  1    5.49000   0.07000   1200.00   30.0000   32.3413   0.00602   5.42667   0.06333   0.90472   32.2810   0.06030   10.0122   86.915436
 33  1    5.44000   0.07000   1300.00   30.0000   32.6394   0.00723   5.39322   0.04678   0.66822   32.5925   0.04693   6.49387   86.751488
 34  1    5.44000   0.07000   1400.00   30.0000   32.9682   0.00843   5.34625   0.09375   1.33930   32.8691   0.09908   11.7518   86.594444
 35  1    8.34000   0.07000   500.000   30.0000   28.8906   0.00482   8.49143   -0.1514   2.16334   28.9703   -0.0797   16.5385   88.284721
 36  1    8.30000   0.07000   600.000   30.0000   29.1339   0.00422   8.30177   -0.0018   0.02527   29.1349  -0.00097   0.22895   88.026764
 37  1    8.30000   0.07000   700.000   30.0000   29.3477   0.00361   8.18457   0.11543   1.64901   29.2826   0.06511   18.0189   87.889824
 38  1    8.29000   0.07000   800.000   30.0000   29.5669   0.00361   8.07331   0.21669   3.09563   29.4405   0.12642   34.9884   87.715309
 39  1    8.25000   0.07000   900.000   30.0000   29.7753   0.00361   7.99477   0.25523   3.64609   29.6211   0.15417   42.6684   87.590874
 40  1    8.17000   0.07000   1000.00   30.0000   29.9493   0.00301   7.98343   0.18657   2.66532   29.8327   0.11665   38.7415   87.577957
 41  1    8.10000   0.07000   1100.00   30.0000   30.1950   0.00301   7.87158   0.22842   3.26311   30.0463   0.14875   49.4005   87.493256
 42  1    7.98000   0.07000   1200.00   30.0000   30.4907   0.00361   7.70398   0.27602   3.94319   30.3020   0.18872   52.2297   87.349930
 43  1    7.77000   0.07000   1300.00   30.0000   30.8291   0.00422   7.50058   0.26942   3.84887   30.6338   0.19538   46.3483   87.215004
 44  1    7.53000   0.07000   1400.00   30.0000   31.2374   0.00542   7.23590   0.29410   4.20141   31.0091   0.22839   42.1382   87.011436
 45  1    7.29000   0.07000   1500.00   30.0000   31.6331   0.00542   7.02303   0.26697   3.81387   31.4109   0.22221   40.9994   86.971024
 46  1    6.95000   0.07000   1600.00   30.0000   32.0462   0.00723   6.82320   0.12680   1.81139   31.9318   0.11443   15.8343   86.720551
 47  1    6.71000   0.07000   1700.00   30.0000   32.4979   0.00903   6.61669   0.09331   1.33302   32.4067   0.09121   10.0971   86.475243
 48  1    5.93000   0.07000   500.000   30.0000   30.3654   0.00422   6.00786   -0.0779   1.11234   30.4185   -0.0530   12.5838   88.197197
 49  1    6.18000   0.07000   600.000   30.0000   30.3678   0.00422   6.27132   -0.0913   1.30462   30.4302   -0.0623   14.7842   87.864616
 50  1    6.32000   0.07000   700.000   30.0000   30.3691   0.00422   6.53731   -0.2173   3.10439   30.5186   -0.1495   35.4725   87.662727
<-------------------------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   6.80554   -0.2755   3.93632   30.5594   -0.1904   45.1561   87.530434
 52  1    6.76000   0.07000   900.000   30.0000   30.3745   0.00422   7.06612   -0.3061   4.37317   30.5866   -0.2122   50.3313   87.438148
 53  1    7.03000   0.07000   1000.00   30.0000   30.3715   0.00422   7.33932   -0.3093   4.41889   30.5859   -0.2144   50.8593   87.373474
 54  1    7.38000   0.07000   1100.00   30.0000   30.3432   0.00422   7.64995   -0.2700   3.85648   30.5290   -0.1858   44.0742   87.326416
 55  1    7.71000   0.07000   1200.00   30.0000   30.3130   0.00422   7.96356   -0.2536   3.62227   30.4865   -0.1735   41.1495   87.292595
 56  1    8.04000   0.07000   1300.00   30.0000   30.2938   0.00422   8.26131   -0.2213   3.16154   30.4444   -0.1507   35.7372   87.264343
 57  1    8.35000   0.07000   1400.00   30.0000   30.2938   0.00422   8.53049   -0.1805   2.57841   30.4164   -0.1226   29.0837   87.241074
 58  1    8.73000   0.07000   1500.00   30.0000   30.3474   0.00422   8.72038   0.00962   0.13740   30.3408   0.00653   1.54787   87.218185
 59  1    8.71000   0.07000   1600.00   30.0000   30.4793   0.00422   8.79764   -0.0876   1.25207   30.5405   -0.0612   14.5217   87.191696
 60  1    8.71000   0.07000   1700.00   30.0000   30.6665   0.00422   8.80193   -0.0919   1.31326   30.7329   -0.0664   15.7506   87.163467
 61  1    8.62000   0.07000   1800.00   30.0000   30.9791   0.00482   8.64802   -0.0280   0.40023   31.0004   -0.0213   4.41987   87.052338
 62  1    7.04000   0.07000   500.000   30.0000   29.6464   0.00301   7.13799   -0.0980   1.39986   29.7053   -0.0589   19.5500   88.513870
 63  1    7.32000   0.07000   600.000   30.0000   29.6693   0.00301   7.36625   -0.0463   0.66077   29.6971   -0.0278   9.24387   88.149879
 64  1    7.52000   0.07000   700.000   30.0000   29.6789   0.00301   7.61752   -0.0975   1.39312   29.7379   -0.0590   19.5836   87.929832
 65  1    7.78000   0.07000   800.000   30.0000   29.6819   0.00301   7.88032   -0.1003   1.43320   29.7427   -0.0607   20.1683   87.784950
 66  1    8.03000   0.07000   900.000   30.0000   29.6873   0.00301   8.13947   -0.1095   1.56392   29.7537   -0.0664   22.0477   87.685181
 67  1    8.26000   0.07000   1000.00   30.0000   29.6699   0.00301   8.43686   -0.1769   2.52661   29.7772   -0.1074   35.6535   87.617104
 68  1    8.59000   0.07000   1100.00   30.0000   29.6392   0.00301   8.75661   -0.1666   2.38019   29.7397   -0.1006   33.3965   87.568481
 69  1    8.95000   0.07000   1200.00   30.0000   29.5952   0.00301   9.09903   -0.1490   2.12904   29.6844   -0.0892   29.6212   87.533562
 70  1    9.32000   0.07000   1300.00   30.0000   29.5506   0.00361   9.44310   -0.1231   1.75853   29.6237   -0.0730   20.2064   87.419479
 71  1    9.66000   0.07000   1400.00   30.0000   29.5157   0.00361   9.77134   -0.1113   1.59055   29.5813   -0.0656   18.1561   87.398003
 72  1    10.0200   0.07000   1500.00   30.0000   29.4844   0.00422   10.0938   -0.0738   1.05380   29.5276   -0.0432   10.2369   87.274902
 73  1    10.3000   0.07000   1600.00   30.0000   29.4730   0.00422   10.3823   -0.0823   1.17562   29.5210   -0.0481   11.4056   87.258415
 74  1    10.4700   0.07000   1700.00   30.0000   29.4681   0.00422   10.6595   -0.1895   2.70721   29.5794   -0.1113   26.3952   87.242676
 75  1    10.6100   0.07000   1800.00   30.0000   29.5482   0.00422   10.7917   -0.1817   2.59566   29.6565   -0.1082   25.6726   87.229126
 76  1    12.5300   0.07000   500.000   30.0000   26.9575   0.00723   12.9240   -0.3940   5.62800   27.1041   -0.1466   20.2821   86.607948
 77  1    12.9200   0.07000   700.000   30.0000   27.0310   0.00542   13.2547   -0.3347   4.78195   27.1571   -0.1261   23.2657   87.176834
 78  1    13.1700   0.07000   900.000   30.0000   27.1406   0.00422   13.4960   -0.3260   4.65667   27.2660   -0.1254   29.7407   87.513390
 79  1    13.6100   0.07000   1100.00   30.0000   27.2183   0.00361   13.8271   -0.2171   3.10172   27.3027   -0.0844   23.3699   87.603767
 80  1    13.4700   0.07000   1300.00   30.0000   27.5916   0.00301   13.4274   0.04263   0.60907   27.5740   0.01760   5.84670   87.697937
 81  1    13.1400   0.07000   1400.00   30.0000   27.8422   0.00361   13.1033   0.03666   0.52365   27.8263   0.01586   4.38978   87.489082
 82  1    12.9700   0.07000   1500.00   30.0000   28.1138   0.00422   12.7598   0.21016   3.00225   28.0189   0.09488   22.5068   87.287682
 83  1    12.6200   0.07000   1600.00   30.0000   28.3197   0.00602   12.5842   0.03578   0.51120   28.3028   0.01689   2.80521   86.650932
 84  1    12.2400   0.07000   1700.00   30.0000   28.6678   0.00602   12.1394   0.10063   1.43751   28.6173   0.05046   8.37890   86.713928
 85  1    9.89000   0.07000   500.000   30.0000   28.1806   0.00361   9.94118   -0.0512   0.73121   28.2042   -0.0236   6.52502   88.695969
 86  1    10.2500   0.07000   700.000   30.0000   28.2511   0.00361   10.3205   -0.0705   1.00686   28.2840   -0.0329   9.11475   88.014832
 87  1    10.6100   0.07000   900.000   30.0000   28.3336   0.00361   10.6789   -0.0689   0.98497   28.3663   -0.0327   9.05510   87.727997
 88  1    10.9600   0.07000   1100.00   30.0000   28.4034   0.00422   11.0677   -0.1077   1.53881   28.4553   -0.0519   12.3097   87.427681
 89  1    11.3500   0.07000   1300.00   30.0000   28.3956   0.00662   11.6201   -0.2701   3.85885   28.5265   -0.1309   19.7678   86.487015
 90  1    11.5900   0.07000   1400.00   30.0000   28.4426   0.00361   11.7907   -0.2007   2.86699   28.5404   -0.0978   27.0798   87.471237
 91  1    11.7800   0.07000   1500.00   30.0000   28.4673   0.00361   12.0080   -0.2280   3.25719   28.5791   -0.1118   30.9523   87.449142
 92  1    12.9500   0.07000   500.000   30.0000   27.0250   0.00301   12.7413   0.20867   2.98101   26.9480   0.07700   25.5722   89.067719
 93  1    13.1200   0.07000   600.000   30.0000   27.0376   0.00301   12.9716   0.14839   2.11984   26.9826   0.05501   18.2705   88.591187
 94  1    13.3300   0.07000   700.000   30.0000   27.0412   0.00301   13.2273   0.10272   1.46747   27.0030   0.03818   12.6803   88.300697
 95  1    13.5600   0.07000   800.000   30.0000   27.0509   0.00301   13.4675   0.09250   1.32140   27.0164   0.03446   11.4457   88.113327
 96  1    13.7700   0.07000   900.000   30.0000   27.0665   0.00301   13.6922   0.07784   1.11200   27.0374   0.02911   9.66828   87.980919
 97  1    13.9800   0.07000   1000.00   30.0000   27.0629   0.00241   13.9686   0.01141   0.16298   27.0586   0.00427   1.77444   88.067726
 98  1    14.2300   0.07000   1100.00   30.0000   27.0539   0.00241   14.2597   -0.0297   0.42483   27.0650   -0.0111   4.62415   87.998138
 99  1    14.4700   0.07000   1200.00   30.0000   27.0418   0.00241   14.5591   -0.0891   1.27326   27.0752   -0.0334   13.8645   87.945160
100  1    14.7500   0.07000   1300.00   30.0000   27.0250   0.00241   14.8716   -0.1216   1.73776   27.0705   -0.0455   18.8862   87.906334
<-------------------------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   15.1423   -0.1323   1.88980   27.0733   -0.0495   20.5482   87.872665
102  1    15.2200   0.07000   1500.00   30.0000   27.0539   0.00301   15.3292   -0.1092   1.55971   27.0949   -0.0411   13.6343   87.663795
103  1    15.3600   0.07000   1600.00   30.0000   27.1225   0.00301   15.4147   -0.0547   0.78124   27.1433   -0.0208   6.90455   87.640091
104  1    15.3200   0.07000   1700.00   30.0000   27.2568   0.00301   15.3329   -0.0129   0.18485   27.2619   -0.0050   1.67356   87.618904
105  1    15.1700   0.07000   1800.00   30.0000   27.4134   0.00301   15.2043   -0.0343   0.48978   27.4271   -0.0138   4.56841   87.598083
106  1    20.3900   0.07000   800.000   30.0000   24.8925   0.00542   20.6009   -0.2109   3.01252   24.9450   -0.0525   9.67869   85.556046
107  1    20.1500   0.07000   500.000   30.0000   24.8052   0.00542   20.1669   -0.0169   0.24128   24.8093   -0.0041   0.75802   86.577629
108  1    20.2400   0.07000   600.000   30.0000   24.8335   0.00482   20.3129   -0.0729   1.04185   24.8514   -0.0179   3.70764   86.816788
109  1    20.3700   0.07000   700.000   30.0000   24.8660   0.00542   20.4439   -0.0739   1.05509   24.8842   -0.0182   3.36043   85.752769
110  1    20.4400   0.07000   800.000   30.0000   24.9190   0.00482   20.4941   -0.0541   0.77248   24.9325   -0.0135   2.79627   86.320847
111  1    20.5200   0.07000   900.000   30.0000   24.9991   0.00422   20.4396   0.08036   1.14806   24.9788   0.02027   4.80830   86.874123
112  1    20.4600   0.07000   1000.00   30.0000   25.0900   0.00361   20.3485   0.11147   1.59250   25.0614   0.02861   7.91754   87.349052
113  1    20.2500   0.07000   1100.00   30.0000   25.1822   0.00361   20.2595   -0.0095   0.13586   25.1847   -0.0025   0.68887   87.295776
114  1    20.0300   0.07000   1200.00   30.0000   25.3165   0.00301   20.0198   0.01021   0.14580   25.3137   0.00274   0.91026   87.696564
115  1    19.7400   0.07000   1300.00   30.0000   25.4881   0.00301   19.6588   0.08123   1.16046   25.4656   0.02254   7.48732   87.669510
116  1    19.3700   0.07000   1400.00   30.0000   25.7031   0.00301   19.1684   0.20157   2.87955   25.6450   0.05814   19.3080   87.652237
117  1    19.0100   0.07000   1500.00   30.0000   25.9151   0.00301   18.7191   0.29092   4.15606   25.8279   0.08717   28.9491   87.643646
118  1    18.5500   0.07000   1600.00   30.0000   26.1361   0.00361   18.2698   0.28017   4.00249   26.0485   0.08758   24.2372   87.323097
119  1    18.0600   0.07000   1700.00   30.0000   26.3890   0.00422   17.7536   0.30636   4.37652   26.2886   0.10037   23.8108   87.015045
120  1    17.4500   0.07000   1800.00   30.0000   26.6642   0.00361   17.2103   0.23969   3.42407   26.5814   0.08287   22.9344   87.358330
121  1    14.8100   0.07000   500.000   30.0000   26.3944   0.00181   14.5419   0.26809   3.82990   26.3066   0.08780   48.5969   89.583984
122  1    16.2300   0.07000   1300.00   30.0000   26.5865   0.00241   16.0984   0.13160   1.87996   26.5416   0.04496   18.6637   87.943680

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 122 DATA:
      CHI^2 (WEIGHTED)=   2.3464
      MAXIMUM DELTA-PRESSURE=-0.394


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      K0        Kp        Gamm0     q
    K0   :     100.0     -99.5     -25.3       1.9
    Kp   :     -99.5     100.0      25.9      -0.4
    Gamm0:     -25.3      25.9     100.0      90.5
    q    :       1.9      -0.4      90.5     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     K0        Kp        Gamm0     q
    K0   :   0.01277  -0.00355  -0.00120   0.00019
    Kp   :  -0.00355   0.00100   0.00034  -0.00001
    Gamm0:  -0.00120   0.00034   0.00176   0.00332
    q    :   0.00019  -0.00001   0.00332   0.00763

*****WARNING:     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_floor_0p005_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:  19.76(11)         :Bulk modulus: units are GPa
      Kp:  5.04(3)           :dK/dP: dimensionless
     Kpp: -0.3037            :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:  1.98(4)           :Gruneisen parameter at Tref,Pref
       q:  1.05(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 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_floor_0p005_precise_theta/fitted.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbcl/weighted_floor_0p005_precise_theta/fitted.eos


EOSFIT-7.6>
***** Macro completed

EOSFIT-7.6>