***********************************************************************************************************************
*                                                                                                                     *
*                                                     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/unweighted_printed_theta/run.mcr

***** Running macro

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


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


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


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



        The title on the file is: Farla2025 rbcl printed observations
             The data in the file is for:T  ,P  ,V
               with esds in the file for:T  ,P  ,V

Only data available is for V: This will be selected

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

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

       Esds available for all data points for:  V
      Esds available for some data points for:  P, T

EOSFIT-7.6>input

*************************************Commands to input or change EoS parameters ***************************************


   Type HELP for a list of commands to change EoS types or parameters


INPUT EOS>pr

     Available equations of state are:
     1=Murnaghan, 2=Birch-Murnaghan, 3=Vinet, 4=Natural Strain, 5=Tait, 6=APL, 7=Kumar,

     Input choice (0 for none, space for no change):2

INPUT ORDER OF EOS (2,3,4):3


INPUT EOS PARAMETERS, <CR> FOR NO CHANGE:
          VALUE OF V0    (     1.000):36.25
          VALUE OF K0    (    10.000):19.89
          VALUE OF Kp    (     4.000):5.0
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  36.2500           :Reference pressure volume: units as volume data
      K0:  19.8900           :Bulk modulus: same units as pressure data
      Kp:  5.00000           :dK/dP: dimensionless
     Kpp: -0.2961            :d2K/dP2: inverse pressure units [IMPLIED VALUE]
 
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

INPUT EOS>th

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

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

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


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

    Reference temperature ( 298.0K):300

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

    Reference pressure volume: units as volume data:
                    VALUE OF V0    (    36.250):36.25
    Debye temperature in K:
                    VALUE OF ThMGD (   298.000):177.0
    Number of atoms per formula unit:
                    VALUE OF Natom (     1.000):2

*****INFORMATION*****

    Gamma0 and q are  refineable parameters in the thermal-pressure model

    Gruneisen parameter at Tref,Pref:
                    VALUE OF Gamm0 (     1.000):1.96
    Gruneisen power law in V/V0:
                    VALUE OF q     (     0.000):1.05

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

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

 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  36.2500           :Reference pressure volume: units as volume data
      K0:  19.8900           :Bulk modulus: same units as pressure data
      Kp:  5.00000           :dK/dP: dimensionless
     Kpp: -0.2961            :d2K/dP2: inverse pressure units [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  177.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  1.96000           :Gruneisen parameter at Tref,Pref
       q:  1.05000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

INPUT EOS>pscale

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

     No pressure scale name has been set

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

     The pressure scale name is: GPa

 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Pscale: GPa
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  36.2500           :Reference pressure volume: units as volume data
      K0:  19.8900           :Bulk modulus: units are GPa
      Kp:  5.00000           :dK/dP: dimensionless
     Kpp: -0.2961            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  177.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  1.96000           :Gruneisen parameter at Tref,Pref
       q:  1.05000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

INPUT EOS>vscale

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

     No volume/linear scale name has been set

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

     The volume scale name is: cm^3/mol

 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  36.2500           :Reference pressure volume: units are cm^3/mol
      K0:  19.8900           :Bulk modulus: units are GPa
      Kp:  5.00000           :dK/dP: dimensionless
     Kpp: -0.2961            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  177.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  1.96000           :Gruneisen parameter at Tref,Pref
       q:  1.05000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

INPUT EOS>x

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


EOSFIT-7.6>save /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbcl/unweighted_printed_theta/initial.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  36.2500           :Reference pressure volume: units are cm^3/mol
      K0:  19.8900           :Bulk modulus: units are GPa
      Kp:  5.00000           :dK/dP: dimensionless
     Kpp: -0.2961            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  177.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  1.96000           :Gruneisen parameter at Tref,Pref
       q:  1.05000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

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


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


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


EOSFIT-7.6>list

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

  THE 122 LOADED DATA ARE AS FOLLOWS:
<-------------------------Observed Values---------------------------><----------------Calculated Values ----------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd
              GPA                                  CM^3/MOL               GPa                       cm^3/mol
  1  1    0.54000   0.00000   300.000   0.00000   35.3469   0.00301   0.53449   0.00551       INF   35.3383   0.00864   2.86951
  2  1    1.46000   0.03000   300.000   0.00000   34.0613   0.00289   1.44773   0.01227   0.40897   34.0458   0.01553   5.37241
  3  1    2.64000   0.04000   300.000   0.00000   32.6838   0.00379   2.67015   -0.0302   0.75377   32.7142   -0.0304   8.01459
  4  1    4.15000   0.06000   300.000   0.00000   31.3146   0.00319   4.20235   -0.0524   0.87253   31.3565   -0.0419   13.1195
  5  1    6.03000   0.06000   300.000   0.00000   29.9937   0.00422   6.06393   -0.0339   0.56550   30.0152   -0.0216   5.11326
  6  1    7.83000   0.06000   300.000   0.00000   28.9302   0.00283   7.90831   -0.0783   1.30519   28.9715   -0.0413   14.5949
  7  1    10.0100   0.03000   300.000   0.00000   27.9112   0.00265   10.0353   -0.0253   0.84209   27.9223   -0.0111   4.17714
  8  1    11.8400   0.06000   300.000   0.00000   27.1534   0.00289   11.8927   -0.0527   0.87786   27.1735   -0.0201   6.95206
  9  1    13.4900   0.06000   300.000   0.00000   26.5829   0.00355   13.4726   0.01742   0.29028   26.5770   0.00596   1.67863
 10  1    14.8600   0.03000   300.000   0.00000   26.1094   0.00295   14.9183   -0.0583   1.94203   26.1277   -0.0183   6.19872
 11  1    16.9700   0.06000   300.000   0.00000   25.4952   0.00223   16.9978   -0.0278   0.46253   25.5029   -0.0077   3.47453
 12  1    18.7100   0.08000   300.000   0.00000   25.0511   0.00169   18.6612   0.04878   0.60971   25.0387   0.01246   7.39095
 13  1    20.1900   0.00000   300.000   0.00000   24.6826   0.00193   20.1553   0.03468       INF   24.6743   0.00824   4.27774
 14  1    22.4900   0.03000   300.000   0.00000   24.1595   0.00229   22.4710   0.01899   0.63311   24.1554   0.00408   1.78198
 15  1    24.3400   0.03000   300.000   0.00000   23.7741   0.00235   24.3382   0.00180   0.06008   23.7738   0.00036   0.15268
 16  1    26.0500   0.02000   300.000   0.00000   23.4336   0.00271   26.1136   -0.0636   3.17831   23.4454   -0.0118   4.35247
 17  1    2.43000   0.07000   500.000   30.0000   33.5903   0.00361   2.36436   0.06564   0.93772   33.5138   0.07654   21.1824
 18  1    2.66000   0.07000   600.000   30.0000   33.6499   0.00361   2.58068   0.07932   1.13311   33.5566   0.09335   25.8351
 19  1    2.83000   0.07000   700.000   30.0000   33.7595   0.00361   2.75658   0.07342   1.04886   33.6714   0.08811   24.3855
 20  1    2.97000   0.07000   800.000   30.0000   33.9107   0.00422   2.90098   0.06902   0.98604   33.8256   0.08503   20.1716
 21  1    2.96000   0.07000   900.000   30.0000   34.3087   0.00361   2.85885   0.10115   1.44507   34.1760   0.13274   36.7377
 22  1    2.95000   0.07000   1000.00   30.0000   34.6761   0.00422   2.85889   0.09111   1.30154   34.5488   0.12726   30.1891
 23  1    2.92000   0.07000   1100.00   30.0000   35.0434   0.00542   2.87532   0.04468   0.63823   34.9767   0.06673   12.3121
 24  1    2.89000   0.07000   1200.00   30.0000   35.5927   0.00964   2.79501   0.09499   1.35701   35.4382   0.15444   16.0285
 25  1    5.03000   0.07000   500.000   30.0000   31.1176   0.00422   4.97957   0.05043   0.72044   31.0788   0.03878   9.20034
 26  1    5.28000   0.07000   600.000   30.0000   31.1411   0.00422   5.21446   0.06554   0.93631   31.0905   0.05058   11.9988
 27  1    5.40000   0.07000   700.000   30.0000   31.2531   0.00422   5.33735   0.06265   0.89493   31.2038   0.04931   11.6984
 28  1    5.48000   0.07000   800.000   30.0000   31.3958   0.00422   5.42553   0.05447   0.77808   31.3518   0.04398   10.4328
 29  1    5.54000   0.07000   900.000   30.0000   31.5765   0.00422   5.47295   0.06705   0.95780   31.5207   0.05581   13.2390
 30  1    5.56000   0.07000   1000.00   30.0000   31.8077   0.00482   5.46907   0.09093   1.29899   31.7291   0.07862   16.3191
 31  1    5.54000   0.07000   1100.00   30.0000   32.0751   0.00602   5.43629   0.10371   1.48151   31.9813   0.09378   15.5720
 32  1    5.49000   0.07000   1200.00   30.0000   32.3413   0.00602   5.41850   0.07150   1.02143   32.2735   0.06783   11.2639
 33  1    5.44000   0.07000   1300.00   30.0000   32.6394   0.00723   5.38178   0.05822   0.83164   32.5812   0.05817   8.05003
 34  1    5.44000   0.07000   1400.00   30.0000   32.9682   0.00843   5.33139   0.10861   1.55153   32.8540   0.11424   13.5498
 35  1    8.34000   0.07000   500.000   30.0000   28.8906   0.00482   8.50513   -0.1651   2.35895   28.9776   -0.0869   18.0477
 36  1    8.30000   0.07000   600.000   30.0000   29.1339   0.00422   8.31325   -0.0133   0.18933   29.1412   -0.0072   1.71754
 37  1    8.30000   0.07000   700.000   30.0000   29.3477   0.00361   8.19374   0.10626   1.51794   29.2878   0.05994   16.5899
 38  1    8.29000   0.07000   800.000   30.0000   29.5669   0.00361   8.08008   0.20992   2.99879   29.4444   0.12247   33.8930
 39  1    8.25000   0.07000   900.000   30.0000   29.7753   0.00361   7.99909   0.25091   3.58441   29.6238   0.15152   41.9336
 40  1    8.17000   0.07000   1000.00   30.0000   29.9493   0.00301   7.98526   0.18474   2.63913   29.8339   0.11543   38.3367
 41  1    8.10000   0.07000   1100.00   30.0000   30.1950   0.00301   7.87078   0.22922   3.27452   30.0459   0.14913   49.5272
 42  1    7.98000   0.07000   1200.00   30.0000   30.4907   0.00361   7.70038   0.27962   3.99453   30.2998   0.19092   52.8388
 43  1    7.77000   0.07000   1300.00   30.0000   30.8291   0.00422   7.49401   0.27599   3.94275   30.6294   0.19978   47.3908
 44  1    7.53000   0.07000   1400.00   30.0000   31.2374   0.00542   7.22608   0.30392   4.34176   31.0020   0.23544   43.4403
 45  1    7.29000   0.07000   1500.00   30.0000   31.6331   0.00542   7.00985   0.28015   4.00209   31.4006   0.23247   42.8913
 46  1    6.95000   0.07000   1600.00   30.0000   32.0462   0.00723   6.80652   0.14348   2.04977   31.9172   0.12899   17.8497
 47  1    6.71000   0.07000   1700.00   30.0000   32.4979   0.00903   6.59627   0.11373   1.62472   32.3872   0.11064   12.2483
 48  1    5.93000   0.07000   500.000   30.0000   30.3654   0.00422   6.02058   -0.0906   1.29397   30.4271   -0.0617   14.6335
 49  1    6.18000   0.07000   600.000   30.0000   30.3678   0.00422   6.28175   -0.1018   1.45363   30.4373   -0.0694   16.4655
 50  1    6.32000   0.07000   700.000   30.0000   30.3691   0.00422   6.54545   -0.2254   3.22065   30.5241   -0.1550   36.7760
<-------------------------Observed Values---------------------------><----------------Calculated Values ----------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd
              GPA                                  CM^3/MOL               GPa                       cm^3/mol
 51  1    6.53000   0.07000   800.000   30.0000   30.3691   0.00422   6.81138   -0.2814   4.01976   30.5633   -0.1942   46.0755
 52  1    6.76000   0.07000   900.000   30.0000   30.3745   0.00422   7.06965   -0.3097   4.42361   30.5889   -0.2144   50.8593
 53  1    7.03000   0.07000   1000.00   30.0000   30.3715   0.00422   7.34055   -0.3106   4.43647   30.5865   -0.2150   51.0028
 54  1    7.38000   0.07000   1100.00   30.0000   30.3432   0.00422   7.64892   -0.2689   3.84177   30.5280   -0.1848   43.8494
 55  1    7.71000   0.07000   1200.00   30.0000   30.3130   0.00422   7.96027   -0.2503   3.57528   30.4840   -0.1710   40.5600
 56  1    8.04000   0.07000   1300.00   30.0000   30.2938   0.00422   8.25574   -0.2157   3.08202   30.4404   -0.1466   34.7861
 57  1    8.35000   0.07000   1400.00   30.0000   30.2938   0.00422   8.52261   -0.1726   2.46589   30.4108   -0.1171   27.7689
 58  1    8.73000   0.07000   1500.00   30.0000   30.3474   0.00422   8.71010   0.01990   0.28424   30.3339   0.01347   3.19528
 59  1    8.71000   0.07000   1600.00   30.0000   30.4793   0.00422   8.78482   -0.0748   1.06880   30.5314   -0.0521   12.3694
 60  1    8.71000   0.07000   1700.00   30.0000   30.6665   0.00422   8.78641   -0.0764   1.09163   30.7216   -0.0551   13.0598
 61  1    8.62000   0.07000   1800.00   30.0000   30.9791   0.00482   8.62949   -0.0095   0.13563   30.9863   -0.0072   1.49295
 62  1    7.04000   0.07000   500.000   30.0000   29.6464   0.00301   7.15152   -0.1115   1.59317   29.7134   -0.0670   22.2555
 63  1    7.32000   0.07000   600.000   30.0000   29.6693   0.00301   7.37751   -0.0575   0.82155   29.7039   -0.0346   11.4951
 64  1    7.52000   0.07000   700.000   30.0000   29.6789   0.00301   7.62649   -0.1065   1.52132   29.7433   -0.0644   21.3870
 65  1    7.78000   0.07000   800.000   30.0000   29.6819   0.00301   7.88701   -0.1070   1.52877   29.7467   -0.0648   21.5105
 66  1    8.03000   0.07000   900.000   30.0000   29.6873   0.00301   8.14387   -0.1139   1.62676   29.7564   -0.0690   22.9282
 67  1    8.26000   0.07000   1000.00   30.0000   29.6699   0.00301   8.43899   -0.1790   2.55696   29.7785   -0.1086   36.0665
 68  1    8.59000   0.07000   1100.00   30.0000   29.6392   0.00301   8.75647   -0.1665   2.37820   29.7396   -0.1004   33.3484
 69  1    8.95000   0.07000   1200.00   30.0000   29.5952   0.00301   9.09664   -0.1466   2.09481   29.6829   -0.0877   29.1246
 70  1    9.32000   0.07000   1300.00   30.0000   29.5506   0.00361   9.43845   -0.1184   1.69208   29.6208   -0.0702   19.4283
 71  1    9.66000   0.07000   1400.00   30.0000   29.5157   0.00361   9.76442   -0.1044   1.49171   29.5772   -0.0615   17.0133
 72  1    10.0200   0.07000   1500.00   30.0000   29.4844   0.00422   10.0846   -0.0646   0.92253   29.5221   -0.0377   8.95375
 73  1    10.3000   0.07000   1600.00   30.0000   29.4730   0.00422   10.3708   -0.0708   1.01170   29.5143   -0.0413   9.80573
 74  1    10.4700   0.07000   1700.00   30.0000   29.4681   0.00422   10.6457   -0.1757   2.51056   29.5712   -0.1031   24.4478
 75  1    10.6100   0.07000   1800.00   30.0000   29.5482   0.00422   10.7756   -0.1656   2.36525   29.6467   -0.0985   23.3601
 76  1    12.5300   0.07000   500.000   30.0000   26.9575   0.00723   12.9332   -0.4032   5.76038   27.1078   -0.1503   20.8016
 77  1    12.9200   0.07000   700.000   30.0000   27.0310   0.00542   13.2600   -0.3400   4.85652   27.1593   -0.1283   23.6708
 78  1    13.1700   0.07000   900.000   30.0000   27.1406   0.00422   13.4972   -0.3272   4.67446   27.2666   -0.1260   29.9004
 79  1    13.6100   0.07000   1100.00   30.0000   27.2183   0.00361   13.8242   -0.2142   3.06007   27.3017   -0.0834   23.0864
 80  1    13.4700   0.07000   1300.00   30.0000   27.5916   0.00301   13.4212   0.04883   0.69750   27.5715   0.02019   6.70375
 81  1    13.1400   0.07000   1400.00   30.0000   27.8422   0.00361   13.0955   0.04449   0.63556   27.8229   0.01926   5.32992
 82  1    12.9700   0.07000   1500.00   30.0000   28.1138   0.00422   12.7502   0.21976   3.13936   28.0145   0.09924   23.5424
 83  1    12.6200   0.07000   1600.00   30.0000   28.3197   0.00602   12.5726   0.04738   0.67686   28.2973   0.02237   3.71516
 84  1    12.2400   0.07000   1700.00   30.0000   28.6678   0.00602   12.1258   0.11423   1.63191   28.6105   0.05726   9.50865
 85  1    9.89000   0.07000   500.000   30.0000   28.1806   0.00361   9.95419   -0.0642   0.91703   28.2102   -0.0296   8.19309
 86  1    10.2500   0.07000   700.000   30.0000   28.2511   0.00361   10.3291   -0.0791   1.13059   28.2881   -0.0370   10.2460
 87  1    10.6100   0.07000   900.000   30.0000   28.3336   0.00361   10.6832   -0.0732   1.04600   28.3683   -0.0348   9.62467
 88  1    10.9600   0.07000   1100.00   30.0000   28.4034   0.00422   11.0675   -0.1075   1.53638   28.4553   -0.0518   12.2965
 89  1    11.3500   0.07000   1300.00   30.0000   28.3956   0.00662   11.6154   -0.2654   3.79156   28.5243   -0.1287   19.4278
 90  1    11.5900   0.07000   1400.00   30.0000   28.4426   0.00361   11.7838   -0.1938   2.76794   28.5371   -0.0945   26.1476
 91  1    11.7800   0.07000   1500.00   30.0000   28.4673   0.00361   11.9988   -0.2188   3.12598   28.5746   -0.1073   29.7038
 92  1    12.9500   0.07000   500.000   30.0000   27.0250   0.00301   12.7509   0.19909   2.84420   26.9513   0.07361   24.4478
 93  1    13.1200   0.07000   600.000   30.0000   27.0376   0.00301   12.9791   0.14094   2.01342   26.9853   0.05235   17.3868
 94  1    13.3300   0.07000   700.000   30.0000   27.0412   0.00301   13.2325   0.09746   1.39227   27.0049   0.03629   12.0532
 95  1    13.5600   0.07000   800.000   30.0000   27.0509   0.00301   13.4706   0.08941   1.27723   27.0175   0.03337   11.0815
 96  1    13.7700   0.07000   900.000   30.0000   27.0665   0.00301   13.6931   0.07690   1.09859   27.0377   0.02881   9.56756
 97  1    13.9800   0.07000   1000.00   30.0000   27.0629   0.00241   13.9673   0.01271   0.18161   27.0581   0.00477   1.98031
 98  1    14.2300   0.07000   1100.00   30.0000   27.0539   0.00241   14.2562   -0.0262   0.37380   27.0637   -0.0098   4.07464
 99  1    14.4700   0.07000   1200.00   30.0000   27.0418   0.00241   14.5533   -0.0833   1.18960   27.0731   -0.0312   12.9706
100  1    14.7500   0.07000   1300.00   30.0000   27.0250   0.00241   14.8635   -0.1135   1.62114   27.0675   -0.0425   17.6422
<-------------------------Observed Values---------------------------><----------------Calculated Values ----------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd
              GPA                                  CM^3/MOL               GPa                       cm^3/mol
101  1    15.0100   0.07000   1400.00   30.0000   27.0238   0.00241   15.1319   -0.1219   1.74114   27.0694   -0.0457   18.9543
102  1    15.2200   0.07000   1500.00   30.0000   27.0539   0.00301   15.3167   -0.0967   1.38088   27.0903   -0.0364   12.0842
103  1    15.3600   0.07000   1600.00   30.0000   27.1225   0.00301   15.4002   -0.0402   0.57432   27.1378   -0.0153   5.07960
104  1    15.3200   0.07000   1700.00   30.0000   27.2568   0.00301   15.3167   0.00329   0.04700   27.2555   0.00128   0.42504
105  1    15.1700   0.07000   1800.00   30.0000   27.4134   0.00301   15.1863   -0.0163   0.23319   27.4199   -0.0065   2.17462
106  1    20.3900   0.07000   800.000   30.0000   24.8925   0.00542   20.5860   -0.1960   2.80026   24.9414   -0.0489   9.02273
107  1    20.1500   0.07000   500.000   30.0000   24.8052   0.00542   20.1572   -0.0072   0.10330   24.8070   -0.0018   0.32622
108  1    20.2400   0.07000   600.000   30.0000   24.8335   0.00482   20.3016   -0.0616   0.87940   24.8486   -0.0151   3.13793
109  1    20.3700   0.07000   700.000   30.0000   24.8660   0.00542   20.4308   -0.0608   0.86850   24.8811   -0.0150   2.77484
110  1    20.4400   0.07000   800.000   30.0000   24.9190   0.00482   20.4796   -0.0396   0.56526   24.9289   -0.0099   2.05118
111  1    20.5200   0.07000   900.000   30.0000   24.9991   0.00422   20.4240   0.09600   1.37141   24.9748   0.02428   5.75938
112  1    20.4600   0.07000   1000.00   30.0000   25.0900   0.00361   20.3319   0.12815   1.83067   25.0571   0.03298   9.12636
113  1    20.2500   0.07000   1100.00   30.0000   25.1822   0.00361   20.2418   0.00825   0.11785   25.1800   0.00217   0.59966
114  1    20.0300   0.07000   1200.00   30.0000   25.3165   0.00301   20.0014   0.02864   0.40910   25.3088   0.00772   2.56292
115  1    19.7400   0.07000   1300.00   30.0000   25.4881   0.00301   19.6399   0.10006   1.42937   25.4603   0.02784   9.24514
116  1    19.3700   0.07000   1400.00   30.0000   25.7031   0.00301   19.1495   0.22054   3.15056   25.6394   0.06374   21.1691
117  1    19.0100   0.07000   1500.00   30.0000   25.9151   0.00301   18.6997   0.31029   4.43265   25.8219   0.09315   30.9343
118  1    18.5500   0.07000   1600.00   30.0000   26.1361   0.00361   18.2499   0.30006   4.28655   26.0421   0.09395   26.0019
119  1    18.0600   0.07000   1700.00   30.0000   26.3890   0.00422   17.7332   0.32677   4.66807   26.2818   0.10721   25.4333
120  1    17.4500   0.07000   1800.00   30.0000   26.6642   0.00361   17.1893   0.26074   3.72489   26.5740   0.09026   24.9799
121  1    14.8100   0.07000   500.000   30.0000   26.3944   0.00181   14.5480   0.26197   3.74238   26.3084   0.08599   47.5992
122  1    16.2300   0.07000   1300.00   30.0000   26.5865   0.00241   16.0881   0.14193   2.02757   26.5380   0.04856   20.1602

EOSFIT-7.6>fit
     122 data for V will be used in least-squares
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 09:36
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  36.2500           :Reference pressure volume: units are cm^3/mol
      K0:  19.8900           :Bulk modulus: units are GPa
      Kp:  5.00000           :dK/dP: dimensionless
     Kpp: -0.2961            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  177.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  1.96000           :Gruneisen parameter at Tref,Pref
       q:  1.05000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 
    Do you want to change these EoS parameters or the EoS type? (Y/N) <N>?n

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

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

     EQUATION FITTED WITH UNIT WEIGHTS FOR ALL DATA




   RESULTS FROM CYCLE  1
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        36.25000  [NOT REFINED]
 K0      1        19.32069         -0.56931          0.20216          -2.82
 Kp      1         5.15736          0.15736          0.05892           2.67
 Kpp     0        -0.33051  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.01812          0.05812          0.04565           1.27
 q       1         1.03979         -0.01021          0.09685          -0.11
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED


   RESULTS FROM CYCLE  2
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        36.25000  [NOT REFINED]
 K0      1        19.32075          0.00006          0.19508           0.00
 Kp      1         5.16197          0.00461          0.06009           0.08
 Kpp     0        -0.33130  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.01802         -0.00010          0.04400          -0.00
 q       1         1.03982          0.00003          0.09059           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED


   RESULTS FROM CYCLE  3
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        36.25000  [NOT REFINED]
 K0      1        19.32076          0.00001          0.19484           0.00
 Kp      1         5.16197         -0.00000          0.06006          -0.00
 Kpp     0        -0.33130  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.01802          0.00000          0.04394           0.00
 q       1         1.03982          0.00000          0.09048           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED


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



   RESULTS AFTER FINAL REFINEMENT CYCLE
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        36.25000  [NOT REFINED]
 K0      1        19.32076          0.00001          0.19484           0.00
 Kp      1         5.16197         -0.00000          0.06006          -0.00
 Kpp     0        -0.33130  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.01802          0.00000          0.04394           0.00
 q       1         1.03982          0.00000          0.09048           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED

 INPUT <CR> TO CONTINUE

  THE 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   0.52025   0.01975       INF   35.3152   0.03170   10.5266   1.0000000
  2  1    1.46000   0.03000   300.000   0.00000   34.0613   0.00289   1.41332   0.04668   1.55611   34.0012   0.06004   20.7717   1.0000000
  3  1    2.64000   0.04000   300.000   0.00000   32.6838   0.00379   2.61511   0.02489   0.62228   32.6585   0.02535   6.68134   1.0000000
  4  1    4.15000   0.06000   300.000   0.00000   31.3146   0.00319   4.12928   0.02072   0.34537   31.2980   0.01665   5.21696   1.0000000
  5  1    6.03000   0.06000   300.000   0.00000   29.9937   0.00422   5.97788   0.05212   0.86865   29.9606   0.03311   7.85518   1.0000000
  6  1    7.83000   0.06000   300.000   0.00000   28.9302   0.00283   7.81698   0.01302   0.21708   28.9233   0.00685   2.42057   1.0000000
  7  1    10.0100   0.03000   300.000   0.00000   27.9112   0.00265   9.94534   0.06466   2.15546   27.8831   0.02815   10.6239   1.0000000
  8  1    11.8400   0.06000   300.000   0.00000   27.1534   0.00289   11.8095   0.03055   0.50913   27.1418   0.01157   4.00258   1.0000000
  9  1    13.4900   0.06000   300.000   0.00000   26.5829   0.00355   13.3985   0.09147   1.52454   26.5519   0.03103   8.73403   1.0000000
 10  1    14.8600   0.03000   300.000   0.00000   26.1094   0.00295   14.8551   0.00493   0.16435   26.1079   0.00153   0.51904   1.0000000
 11  1    16.9700   0.06000   300.000   0.00000   25.4952   0.00223   16.9539   0.01609   0.26814   25.4907   0.00443   1.98850   1.0000000
 12  1    18.7100   0.08000   300.000   0.00000   25.0511   0.00169   18.6357   0.07427   0.92840   25.0324   0.01875   11.1170   1.0000000
 13  1    20.1900   0.00000   300.000   0.00000   24.6826   0.00193   20.1483   0.04173       INF   24.6728   0.00979   5.08142   1.0000000
 14  1    22.4900   0.03000   300.000   0.00000   24.1595   0.00229   22.4959   -0.0059   0.19786   24.1608   -0.0013   0.54760   1.0000000
 15  1    24.3400   0.03000   300.000   0.00000   23.7741   0.00235   24.3917   -0.0517   1.72183   23.7843   -0.0101   4.30174   1.0000000
 16  1    26.0500   0.02000   300.000   0.00000   23.4336   0.00271   26.1962   -0.1462   7.31182   23.4603   -0.0267   9.85993   1.0000000
 17  1    2.43000   0.07000   500.000   30.0000   33.5903   0.00361   2.33876   0.09124   1.30338   33.4823   0.10800   29.8891   1.0000000
 18  1    2.66000   0.07000   600.000   30.0000   33.6499   0.00361   2.56408   0.09592   1.37029   33.5352   0.11472   31.7493   1.0000000
 19  1    2.83000   0.07000   700.000   30.0000   33.7595   0.00361   2.74974   0.08026   1.14655   33.6615   0.09801   27.1241   1.0000000
 20  1    2.97000   0.07000   800.000   30.0000   33.9107   0.00422   2.90454   0.06546   0.93518   33.8285   0.08220   19.4993   1.0000000
 21  1    2.96000   0.07000   900.000   30.0000   34.3087   0.00361   2.87656   0.08344   1.19199   34.1968   0.11193   30.9776   1.0000000
 22  1    2.95000   0.07000   1000.00   30.0000   34.6761   0.00422   2.89031   0.05969   0.85276   34.5906   0.08550   20.2820   1.0000000
 23  1    2.92000   0.07000   1100.00   30.0000   35.0434   0.00542   2.92043  -0.00043   0.00610   35.0441  -0.00066   0.12106   1.0000000
 24  1    2.89000   0.07000   1200.00   30.0000   35.5927   0.00964   2.85655   0.03345   0.47792   35.5364   0.05625   5.83760   1.0000000
 25  1    5.03000   0.07000   500.000   30.0000   31.1176   0.00422   4.92046   0.10954   1.56483   31.0330   0.08462   20.0743   1.0000000
 26  1    5.28000   0.07000   600.000   30.0000   31.1411   0.00422   5.16385   0.11615   1.65931   31.0510   0.09010   21.3738   1.0000000
 27  1    5.40000   0.07000   700.000   30.0000   31.2531   0.00422   5.29628   0.10372   1.48177   31.1709   0.08215   19.4884   1.0000000
 28  1    5.48000   0.07000   800.000   30.0000   31.3958   0.00422   5.39438   0.08562   1.22307   31.3262   0.06963   16.5180   1.0000000
 29  1    5.54000   0.07000   900.000   30.0000   31.5765   0.00422   5.45223   0.08777   1.25382   31.5028   0.07368   17.4790   1.0000000
 30  1    5.56000   0.07000   1000.00   30.0000   31.8077   0.00482   5.45946   0.10054   1.43627   31.7199   0.08780   18.2246   1.0000000
 31  1    5.54000   0.07000   1100.00   30.0000   32.0751   0.00602   5.43834   0.10166   1.45226   31.9821   0.09301   15.4450   1.0000000
 32  1    5.49000   0.07000   1200.00   30.0000   32.3413   0.00602   5.43228   0.05772   0.82458   32.2858   0.05552   9.21853   1.0000000
 33  1    5.44000   0.07000   1300.00   30.0000   32.6394   0.00723   5.40781   0.03219   0.45990   32.6067   0.03269   4.52333   1.0000000
 34  1    5.44000   0.07000   1400.00   30.0000   32.9682   0.00843   5.37016   0.06984   0.99770   32.8934   0.07481   8.87321   1.0000000
 35  1    8.34000   0.07000   500.000   30.0000   28.8906   0.00482   8.43008   -0.0901   1.28687   28.9379   -0.0473   9.82078   1.0000000
 36  1    8.30000   0.07000   600.000   30.0000   29.1339   0.00422   8.24717   0.05283   0.75472   29.1051   0.02881   6.83488   1.0000000
 37  1    8.30000   0.07000   700.000   30.0000   29.3477   0.00361   8.13685   0.16315   2.33077   29.2557   0.09199   25.4592   1.0000000
 38  1    8.29000   0.07000   800.000   30.0000   29.5669   0.00361   8.03264   0.25736   3.67651   29.4167   0.15021   41.5720   1.0000000
 39  1    8.25000   0.07000   900.000   30.0000   29.7753   0.00361   7.96126   0.28874   4.12485   29.6006   0.17463   48.3287   1.0000000
 40  1    8.17000   0.07000   1000.00   30.0000   29.9493   0.00301   7.95698   0.21302   3.04317   29.8159   0.13345   44.3190   1.0000000
 41  1    8.10000   0.07000   1100.00   30.0000   30.1950   0.00301   7.85271   0.24729   3.53271   30.0335   0.16150   53.6357   1.0000000
 42  1    7.98000   0.07000   1200.00   30.0000   30.4907   0.00361   7.69316   0.28684   4.09770   30.2938   0.19689   54.4906   1.0000000
 43  1    7.77000   0.07000   1300.00   30.0000   30.8291   0.00422   7.49832   0.27168   3.88118   30.6311   0.19805   46.9822   1.0000000
 44  1    7.53000   0.07000   1400.00   30.0000   31.2374   0.00542   7.24297   0.28703   4.10041   31.0130   0.22442   41.4062   1.0000000
 45  1    7.29000   0.07000   1500.00   30.0000   31.6331   0.00542   7.03955   0.25045   3.57786   31.4229   0.21024   38.7901   1.0000000
 46  1    6.95000   0.07000   1600.00   30.0000   32.0462   0.00723   6.84951   0.10049   1.43552   31.9546   0.09165   12.6826   1.0000000
 47  1    6.71000   0.07000   1700.00   30.0000   32.4979   0.00903   6.65332   0.05668   0.80974   32.4418   0.05612   6.21241   1.0000000
 48  1    5.93000   0.07000   500.000   30.0000   30.3654   0.00422   5.95388   -0.0239   0.34107   30.3817   -0.0163   3.86447   1.0000000
 49  1    6.18000   0.07000   600.000   30.0000   30.3678   0.00422   6.22335   -0.0433   0.61927   30.3975   -0.0296   7.03260   1.0000000
 50  1    6.32000   0.07000   700.000   30.0000   30.3691   0.00422   6.49537   -0.1754   2.50523   30.4900   -0.1210   28.6996   1.0000000
<-------------------------Observed Values---------------------------><----------------Calculated Values -------------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd       Wt
              GPA                                  CM^3/MOL               GPa                       cm^3/mol
 51  1    6.53000   0.07000   800.000   30.0000   30.3691   0.00422   6.76964   -0.2396   3.42345   30.5351   -0.1660   39.3890   1.0000000
 52  1    6.76000   0.07000   900.000   30.0000   30.3745   0.00422   7.03631   -0.2763   3.94729   30.5666   -0.1921   45.5796   1.0000000
 53  1    7.03000   0.07000   1000.00   30.0000   30.3715   0.00422   7.31555   -0.2855   4.07928   30.5701   -0.1986   47.1220   1.0000000
 54  1    7.38000   0.07000   1100.00   30.0000   30.3432   0.00422   7.63205   -0.2521   3.60076   30.5173   -0.1741   41.3079   1.0000000
 55  1    7.71000   0.07000   1200.00   30.0000   30.3130   0.00422   7.95153   -0.2415   3.45046   30.4790   -0.1659   39.3560   1.0000000
 56  1    8.04000   0.07000   1300.00   30.0000   30.2938   0.00422   8.25523   -0.2152   3.07480   30.4409   -0.1471   34.9033   1.0000000
 57  1    8.35000   0.07000   1400.00   30.0000   30.2938   0.00422   8.53050   -0.1805   2.57856   30.4169   -0.1232   29.2168   1.0000000
 58  1    8.73000   0.07000   1500.00   30.0000   30.3474   0.00422   8.72682   0.00318   0.04545   30.3452   0.00217   0.51490   1.0000000
 59  1    8.71000   0.07000   1600.00   30.0000   30.4793   0.00422   8.81102   -0.1010   1.44309   30.5502   -0.0709   16.8297   1.0000000
 60  1    8.71000   0.07000   1700.00   30.0000   30.6665   0.00422   8.82264   -0.1126   1.60912   30.7484   -0.0819   19.4246   1.0000000
 61  1    8.62000   0.07000   1800.00   30.0000   30.9791   0.00482   8.67705   -0.0570   0.81498   31.0228   -0.0437   9.06817   1.0000000
 62  1    7.04000   0.07000   500.000   30.0000   29.6464   0.00301   7.07946   -0.0395   0.56376   29.6701   -0.0237   7.87183   1.0000000
 63  1    7.32000   0.07000   600.000   30.0000   29.6693   0.00301   7.31390   0.00610   0.08716   29.6656   0.00367   1.22002   1.0000000
 64  1    7.52000   0.07000   700.000   30.0000   29.6789   0.00301   7.57130   -0.0513   0.73280   29.7100   -0.0310   10.3093   1.0000000
 65  1    7.78000   0.07000   800.000   30.0000   29.6819   0.00301   7.84022   -0.0602   0.86028   29.7184   -0.0365   12.1165   1.0000000
 66  1    8.03000   0.07000   900.000   30.0000   29.6873   0.00301   8.10551   -0.0755   1.07873   29.7332   -0.0459   15.2280   1.0000000
 67  1    8.26000   0.07000   1000.00   30.0000   29.6699   0.00301   8.40894   -0.1489   2.12769   29.7604   -0.0905   30.0703   1.0000000
 68  1    8.59000   0.07000   1100.00   30.0000   29.6392   0.00301   8.73468   -0.1447   2.06682   29.7266   -0.0875   29.0498   1.0000000
 69  1    8.95000   0.07000   1200.00   30.0000   29.5952   0.00301   9.08304   -0.1330   1.90058   29.6750   -0.0798   26.4920   1.0000000
 70  1    9.32000   0.07000   1300.00   30.0000   29.5506   0.00361   9.43307   -0.1131   1.61525   29.6178   -0.0672   18.5964   1.0000000
 71  1    9.66000   0.07000   1400.00   30.0000   29.5157   0.00361   9.76733   -0.1073   1.53322   29.5791   -0.0634   17.5396   1.0000000
 72  1    10.0200   0.07000   1500.00   30.0000   29.4844   0.00422   10.0958   -0.0758   1.08283   29.5288   -0.0444   10.5423   1.0000000
 73  1    10.3000   0.07000   1600.00   30.0000   29.4730   0.00422   10.3905   -0.0905   1.29216   29.5259   -0.0530   12.5680   1.0000000
 74  1    10.4700   0.07000   1700.00   30.0000   29.4681   0.00422   10.6738   -0.2038   2.91162   29.5882   -0.1200   28.4707   1.0000000
 75  1    10.6100   0.07000   1800.00   30.0000   29.5482   0.00422   10.8125   -0.2025   2.89221   29.6692   -0.1210   28.7032   1.0000000
 76  1    12.5300   0.07000   500.000   30.0000   26.9575   0.00723   12.8692   -0.3392   4.84501   27.0830   -0.1255   17.3641   1.0000000
 77  1    12.9200   0.07000   700.000   30.0000   27.0310   0.00542   13.2118   -0.2918   4.16816   27.1403   -0.1094   20.1766   1.0000000
 78  1    13.1700   0.07000   900.000   30.0000   27.1406   0.00422   13.4647   -0.2947   4.20952   27.2534   -0.1128   26.7649   1.0000000
 79  1    13.6100   0.07000   1100.00   30.0000   27.2183   0.00361   13.8079   -0.1979   2.82673   27.2949   -0.0766   21.2130   1.0000000
 80  1    13.4700   0.07000   1300.00   30.0000   27.5916   0.00301   13.4181   0.05189   0.74128   27.5703   0.02137   7.09712   1.0000000
 81  1    13.1400   0.07000   1400.00   30.0000   27.8422   0.00361   13.0991   0.04088   0.58400   27.8245   0.01765   4.88439   1.0000000
 82  1    12.9700   0.07000   1500.00   30.0000   28.1138   0.00422   12.7610   0.20905   2.98642   28.0195   0.09425   22.3579   1.0000000
 83  1    12.6200   0.07000   1600.00   30.0000   28.3197   0.00602   12.5911   0.02885   0.41221   28.3061   0.01361   2.26077   1.0000000
 84  1    12.2400   0.07000   1700.00   30.0000   28.6678   0.00602   12.1523   0.08773   1.25335   28.6238   0.04402   7.30933   1.0000000
 85  1    9.89000   0.07000   500.000   30.0000   28.1806   0.00361   9.87954   0.01046   0.14941   28.1758   0.00481   1.33076   1.0000000
 86  1    10.2500   0.07000   700.000   30.0000   28.2511   0.00361   10.2711   -0.0211   0.30169   28.2609   -0.0098   2.72434   1.0000000
 87  1    10.6100   0.07000   900.000   30.0000   28.3336   0.00361   10.6420   -0.0320   0.45666   28.3487   -0.0151   4.18971   1.0000000
 88  1    10.9600   0.07000   1100.00   30.0000   28.4034   0.00422   11.0432   -0.0832   1.18825   28.4434   -0.0400   9.49173   1.0000000
 89  1    11.3500   0.07000   1300.00   30.0000   28.3956   0.00662   11.6081   -0.2581   3.68735   28.5206   -0.1250   18.8724   1.0000000
 90  1    11.5900   0.07000   1400.00   30.0000   28.4426   0.00361   11.7849   -0.1949   2.78437   28.5375   -0.0950   26.2859   1.0000000
 91  1    11.7800   0.07000   1500.00   30.0000   28.4673   0.00361   12.0085   -0.2285   3.26377   28.5793   -0.1120   31.0066   1.0000000
 92  1    12.9500   0.07000   500.000   30.0000   27.0250   0.00301   12.6858   0.26415   3.77363   26.9280   0.09693   32.1911   1.0000000
 93  1    13.1200   0.07000   600.000   30.0000   27.0376   0.00301   12.9223   0.19773   2.82472   26.9647   0.07291   24.2147   1.0000000
 94  1    13.3300   0.07000   700.000   30.0000   27.0412   0.00301   13.1842   0.14579   2.08269   26.9873   0.05391   17.9037   1.0000000
 95  1    13.5600   0.07000   800.000   30.0000   27.0509   0.00301   13.4307   0.12931   1.84735   27.0029   0.04795   15.9229   1.0000000
 96  1    13.7700   0.07000   900.000   30.0000   27.0665   0.00301   13.6616   0.10845   1.54922   27.0261   0.04037   13.4062   1.0000000
 97  1    13.9800   0.07000   1000.00   30.0000   27.0629   0.00241   13.9444   0.03560   0.50857   27.0496   0.01328   5.51177   1.0000000
 98  1    14.2300   0.07000   1100.00   30.0000   27.0539   0.00241   14.2420   -0.0120   0.17177   27.0583   -0.0045   1.86154   1.0000000
 99  1    14.4700   0.07000   1200.00   30.0000   27.0418   0.00241   14.5479   -0.0779   1.11332   27.0709   -0.0291   12.0719   1.0000000
100  1    14.7500   0.07000   1300.00   30.0000   27.0250   0.00241   14.8670   -0.1170   1.67176   27.0686   -0.0436   18.0991   1.0000000
<-------------------------Observed Values---------------------------><----------------Calculated Values -------------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd       Wt
              GPA                                  CM^3/MOL               GPa                       cm^3/mol
101  1    15.0100   0.07000   1400.00   30.0000   27.0238   0.00241   15.1441   -0.1341   1.91555   27.0737   -0.0500   20.7469   1.0000000
102  1    15.2200   0.07000   1500.00   30.0000   27.0539   0.00301   15.3371   -0.1171   1.67258   27.0977   -0.0439   14.5680   1.0000000
103  1    15.3600   0.07000   1600.00   30.0000   27.1225   0.00301   15.4283   -0.0683   0.97565   27.1484   -0.0259   8.59585   1.0000000
104  1    15.3200   0.07000   1700.00   30.0000   27.2568   0.00301   15.3517   -0.0317   0.45257   27.2691   -0.0123   4.08699   1.0000000
105  1    15.1700   0.07000   1800.00   30.0000   27.4134   0.00301   15.2281   -0.0581   0.83000   27.4366   -0.0233   7.72170   1.0000000
106  1    20.3900   0.07000   800.000   30.0000   24.8925   0.00542   20.6104   -0.2204   3.14849   24.9469   -0.0544   10.0281   1.0000000
107  1    20.1500   0.07000   500.000   30.0000   24.8052   0.00542   20.1601   -0.0101   0.14477   24.8076   -0.0024   0.45010   1.0000000
108  1    20.2400   0.07000   600.000   30.0000   24.8335   0.00482   20.3116   -0.0716   1.02228   24.8509   -0.0174   3.60510   1.0000000
109  1    20.3700   0.07000   700.000   30.0000   24.8660   0.00542   20.4478   -0.0778   1.11130   24.8850   -0.0190   3.50788   1.0000000
110  1    20.4400   0.07000   800.000   30.0000   24.9190   0.00482   20.5026   -0.0626   0.89479   24.9345   -0.0155   3.21038   1.0000000
111  1    20.5200   0.07000   900.000   30.0000   24.9991   0.00422   20.4520   0.06805   0.97215   24.9821   0.01702   4.03821   1.0000000
112  1    20.4600   0.07000   1000.00   30.0000   25.0900   0.00361   20.3643   0.09566   1.36653   25.0657   0.02435   6.73880   1.0000000
113  1    20.2500   0.07000   1100.00   30.0000   25.1822   0.00361   20.2789   -0.0289   0.41308   25.1897   -0.0075   2.08087   1.0000000
114  1    20.0300   0.07000   1200.00   30.0000   25.3165   0.00301   20.0416   -0.0116   0.16627   25.3196   -0.0031   1.03252   1.0000000
115  1    19.7400   0.07000   1300.00   30.0000   25.4881   0.00301   19.6823   0.05774   0.82479   25.4722   0.01592   5.28610   1.0000000
116  1    19.3700   0.07000   1400.00   30.0000   25.7031   0.00301   19.1929   0.17712   2.53034   25.6523   0.05076   16.8566   1.0000000
117  1    19.0100   0.07000   1500.00   30.0000   25.9151   0.00301   18.7451   0.26490   3.78429   25.8362   0.07890   26.2025   1.0000000
118  1    18.5500   0.07000   1600.00   30.0000   26.1361   0.00361   18.2978   0.25223   3.60334   26.0577   0.07842   21.7024   1.0000000
119  1    18.0600   0.07000   1700.00   30.0000   26.3890   0.00422   17.7835   0.27654   3.95050   26.2988   0.09017   21.3910   1.0000000
120  1    17.4500   0.07000   1800.00   30.0000   26.6642   0.00361   17.2423   0.20768   2.96685   26.5927   0.07152   19.7936   1.0000000
121  1    14.8100   0.07000   500.000   30.0000   26.3944   0.00181   14.4944   0.31564   4.50909   26.2918   0.10268   56.8348   1.0000000
122  1    16.2300   0.07000   1300.00   30.0000   26.5865   0.00241   16.0992   0.13077   1.86811   26.5421   0.04445   18.4538   1.0000000

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 122 DATA:
      MAXIMUM DELTA-PRESSURE=-0.339


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      K0        Kp        Gamm0     q
    K0   :     100.0     -98.1     -46.4      -6.5
    Kp   :     -98.1     100.0      50.6      16.2
    Gamm0:     -46.4      50.6     100.0      84.8
    q    :      -6.5      16.2      84.8     100.0


  VARIANCE-COVARIANCE MATRIX NOT RESCALED
  VARIABLE     K0        Kp        Gamm0     q
    K0   :   0.03796  -0.01148  -0.00398  -0.00115
    Kp   :  -0.01148   0.00361   0.00134   0.00088
    Gamm0:  -0.00398   0.00134   0.00193   0.00337
    q    :  -0.00115   0.00088   0.00337   0.00819

 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:  19.32(19)         :Bulk modulus: units are GPa
      Kp:  5.16(6)           :dK/dP: dimensionless
     Kpp: -0.3313            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  177.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.02(4)           :Gruneisen parameter at Tref,Pref
       q:  1.04(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)?n
     SIGMAS FOR T   PRESENT, USE IN WEIGHTS (Y/N)?n
     SIGMAS FOR V   PRESENT, USE IN WEIGHTS (Y/N)?n

     EQUATION FITTED WITH UNIT WEIGHTS FOR ALL DATA




   RESULTS FROM CYCLE  1
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        36.25000  [NOT REFINED]
 K0      1        19.32076         -0.00000          0.19484          -0.00
 Kp      1         5.16197          0.00000          0.06006           0.00
 Kpp     0        -0.33130  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.01802          0.00001          0.04394           0.00
 q       1         1.03984          0.00002          0.09048           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED


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



   RESULTS AFTER FINAL REFINEMENT CYCLE
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        36.25000  [NOT REFINED]
 K0      1        19.32076         -0.00000          0.19484          -0.00
 Kp      1         5.16197          0.00000          0.06006           0.00
 Kpp     0        -0.33130  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       177.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.01802          0.00001          0.04394           0.00
 q       1         1.03984          0.00002          0.09048           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED

 INPUT <CR> TO CONTINUE

  THE 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   0.52025   0.01975       INF   35.3152   0.03170   10.5279   1.0000000
  2  1    1.46000   0.03000   300.000   0.00000   34.0613   0.00289   1.41332   0.04668   1.55611   34.0012   0.06004   20.7717   1.0000000
  3  1    2.64000   0.04000   300.000   0.00000   32.6838   0.00379   2.61511   0.02489   0.62229   32.6585   0.02535   6.68134   1.0000000
  4  1    4.15000   0.06000   300.000   0.00000   31.3146   0.00319   4.12928   0.02072   0.34537   31.2980   0.01665   5.21696   1.0000000
  5  1    6.03000   0.06000   300.000   0.00000   29.9937   0.00422   5.97788   0.05212   0.86865   29.9606   0.03311   7.85472   1.0000000
  6  1    7.83000   0.06000   300.000   0.00000   28.9302   0.00283   7.81698   0.01303   0.21709   28.9233   0.00685   2.41990   1.0000000
  7  1    10.0100   0.03000   300.000   0.00000   27.9112   0.00265   9.94534   0.06466   2.15543   27.8831   0.02815   10.6239   1.0000000
  8  1    11.8400   0.06000   300.000   0.00000   27.1534   0.00289   11.8095   0.03055   0.50912   27.1418   0.01157   4.00126   1.0000000
  9  1    13.4900   0.06000   300.000   0.00000   26.5829   0.00355   13.3985   0.09147   1.52451   26.5519   0.03103   8.73349   1.0000000
 10  1    14.8600   0.03000   300.000   0.00000   26.1094   0.00295   14.8551   0.00493   0.16429   26.1079   0.00153   0.51904   1.0000000
 11  1    16.9700   0.06000   300.000   0.00000   25.4952   0.00223   16.9539   0.01609   0.26811   25.4907   0.00443   1.98765   1.0000000
 12  1    18.7100   0.08000   300.000   0.00000   25.0511   0.00169   18.6357   0.07427   0.92838   25.0324   0.01874   11.1147   1.0000000
 13  1    20.1900   0.00000   300.000   0.00000   24.6826   0.00193   20.1483   0.04173       INF   24.6728   0.00979   5.08043   1.0000000
 14  1    22.4900   0.03000   300.000   0.00000   24.1595   0.00229   22.4959   -0.0059   0.19798   24.1608   -0.0013   0.54843   1.0000000
 15  1    24.3400   0.03000   300.000   0.00000   23.7741   0.00235   24.3917   -0.0517   1.72189   23.7843   -0.0101   4.30256   1.0000000
 16  1    26.0500   0.02000   300.000   0.00000   23.4336   0.00271   26.1962   -0.1462   7.31201   23.4603   -0.0267   9.86134   1.0000000
 17  1    2.43000   0.07000   500.000   30.0000   33.5903   0.00361   2.33876   0.09124   1.30337   33.4823   0.10800   29.8891   1.0000000
 18  1    2.66000   0.07000   600.000   30.0000   33.6499   0.00361   2.56408   0.09592   1.37027   33.5352   0.11472   31.7483   1.0000000
 19  1    2.83000   0.07000   700.000   30.0000   33.7595   0.00361   2.74974   0.08026   1.14653   33.6615   0.09801   27.1241   1.0000000
 20  1    2.97000   0.07000   800.000   30.0000   33.9107   0.00422   2.90454   0.06546   0.93514   33.8285   0.08219   19.4974   1.0000000
 21  1    2.96000   0.07000   900.000   30.0000   34.3087   0.00361   2.87656   0.08344   1.19194   34.1968   0.11193   30.9765   1.0000000
 22  1    2.95000   0.07000   1000.00   30.0000   34.6761   0.00422   2.89031   0.05969   0.85269   34.5906   0.08549   20.2811   1.0000000
 23  1    2.92000   0.07000   1100.00   30.0000   35.0434   0.00542   2.92043  -0.00043   0.00618   35.0441  -0.00066   0.12176   1.0000000
 24  1    2.89000   0.07000   1200.00   30.0000   35.5927   0.00964   2.85655   0.03345   0.47782   35.5364   0.05624   5.83680   1.0000000
 25  1    5.03000   0.07000   500.000   30.0000   31.1176   0.00422   4.92046   0.10954   1.56483   31.0330   0.08462   20.0743   1.0000000
 26  1    5.28000   0.07000   600.000   30.0000   31.1411   0.00422   5.16385   0.11615   1.65930   31.0510   0.09010   21.3734   1.0000000
 27  1    5.40000   0.07000   700.000   30.0000   31.2531   0.00422   5.29628   0.10372   1.48175   31.1710   0.08215   19.4879   1.0000000
 28  1    5.48000   0.07000   800.000   30.0000   31.3958   0.00422   5.39439   0.08561   1.22305   31.3262   0.06963   16.5175   1.0000000
 29  1    5.54000   0.07000   900.000   30.0000   31.5765   0.00422   5.45223   0.08777   1.25380   31.5028   0.07368   17.4781   1.0000000
 30  1    5.56000   0.07000   1000.00   30.0000   31.8077   0.00482   5.45946   0.10054   1.43625   31.7199   0.08780   18.2246   1.0000000
 31  1    5.54000   0.07000   1100.00   30.0000   32.0751   0.00602   5.43834   0.10166   1.45221   31.9821   0.09301   15.4450   1.0000000
 32  1    5.49000   0.07000   1200.00   30.0000   32.3413   0.00602   5.43228   0.05772   0.82454   32.2858   0.05551   9.21726   1.0000000
 33  1    5.44000   0.07000   1300.00   30.0000   32.6394   0.00723   5.40781   0.03219   0.45985   32.6067   0.03268   4.52227   1.0000000
 34  1    5.44000   0.07000   1400.00   30.0000   32.9682   0.00843   5.37017   0.06983   0.99763   32.8934   0.07480   8.87231   1.0000000
 35  1    8.34000   0.07000   500.000   30.0000   28.8906   0.00482   8.43008   -0.0901   1.28687   28.9379   -0.0473   9.82078   1.0000000
 36  1    8.30000   0.07000   600.000   30.0000   29.1339   0.00422   8.24717   0.05283   0.75472   29.1051   0.02881   6.83488   1.0000000
 37  1    8.30000   0.07000   700.000   30.0000   29.3477   0.00361   8.13685   0.16315   2.33075   29.2557   0.09199   25.4592   1.0000000
 38  1    8.29000   0.07000   800.000   30.0000   29.5669   0.00361   8.03264   0.25736   3.67651   29.4167   0.15021   41.5709   1.0000000
 39  1    8.25000   0.07000   900.000   30.0000   29.7753   0.00361   7.96126   0.28874   4.12486   29.6006   0.17463   48.3287   1.0000000
 40  1    8.17000   0.07000   1000.00   30.0000   29.9493   0.00301   7.95698   0.21302   3.04317   29.8159   0.13345   44.3196   1.0000000
 41  1    8.10000   0.07000   1100.00   30.0000   30.1950   0.00301   7.85271   0.24729   3.53270   30.0335   0.16150   53.6357   1.0000000
 42  1    7.98000   0.07000   1200.00   30.0000   30.4907   0.00361   7.69316   0.28684   4.09767   30.2938   0.19689   54.4900   1.0000000
 43  1    7.77000   0.07000   1300.00   30.0000   30.8291   0.00422   7.49832   0.27168   3.88117   30.6311   0.19805   46.9817   1.0000000
 44  1    7.53000   0.07000   1400.00   30.0000   31.2374   0.00542   7.24297   0.28703   4.10038   31.0130   0.22441   41.4055   1.0000000
 45  1    7.29000   0.07000   1500.00   30.0000   31.6331   0.00542   7.03955   0.25045   3.57782   31.4229   0.21024   38.7897   1.0000000
 46  1    6.95000   0.07000   1600.00   30.0000   32.0462   0.00723   6.84952   0.10048   1.43547   31.9546   0.09165   12.6821   1.0000000
 47  1    6.71000   0.07000   1700.00   30.0000   32.4979   0.00903   6.65332   0.05668   0.80967   32.4418   0.05611   6.21199   1.0000000
 48  1    5.93000   0.07000   500.000   30.0000   30.3654   0.00422   5.95388   -0.0239   0.34108   30.3817   -0.0163   3.86537   1.0000000
 49  1    6.18000   0.07000   600.000   30.0000   30.3678   0.00422   6.22335   -0.0433   0.61928   30.3975   -0.0296   7.03305   1.0000000
 50  1    6.32000   0.07000   700.000   30.0000   30.3691   0.00422   6.49537   -0.1754   2.50524   30.4900   -0.1210   28.7001   1.0000000
<-------------------------Observed Values---------------------------><----------------Calculated Values -------------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd       Wt
              GPA                                  CM^3/MOL               GPa                       cm^3/mol
 51  1    6.53000   0.07000   800.000   30.0000   30.3691   0.00422   6.76964   -0.2396   3.42346   30.5351   -0.1660   39.3894   1.0000000
 52  1    6.76000   0.07000   900.000   30.0000   30.3745   0.00422   7.03631   -0.2763   3.94730   30.5666   -0.1921   45.5805   1.0000000
 53  1    7.03000   0.07000   1000.00   30.0000   30.3715   0.00422   7.31555   -0.2856   4.07929   30.5701   -0.1986   47.1216   1.0000000
 54  1    7.38000   0.07000   1100.00   30.0000   30.3432   0.00422   7.63205   -0.2521   3.60078   30.5173   -0.1741   41.3079   1.0000000
 55  1    7.71000   0.07000   1200.00   30.0000   30.3130   0.00422   7.95153   -0.2415   3.45047   30.4790   -0.1659   39.3560   1.0000000
 56  1    8.04000   0.07000   1300.00   30.0000   30.2938   0.00422   8.25524   -0.2152   3.07481   30.4409   -0.1471   34.9033   1.0000000
 57  1    8.35000   0.07000   1400.00   30.0000   30.2938   0.00422   8.53050   -0.1805   2.57859   30.4169   -0.1232   29.2168   1.0000000
 58  1    8.73000   0.07000   1500.00   30.0000   30.3474   0.00422   8.72682   0.00318   0.04544   30.3452   0.00217   0.51490   1.0000000
 59  1    8.71000   0.07000   1600.00   30.0000   30.4793   0.00422   8.81102   -0.1010   1.44310   30.5502   -0.0709   16.8293   1.0000000
 60  1    8.71000   0.07000   1700.00   30.0000   30.6665   0.00422   8.82264   -0.1126   1.60915   30.7484   -0.0819   19.4242   1.0000000
 61  1    8.62000   0.07000   1800.00   30.0000   30.9791   0.00482   8.67705   -0.0571   0.81502   31.0228   -0.0437   9.06936   1.0000000
 62  1    7.04000   0.07000   500.000   30.0000   29.6464   0.00301   7.07946   -0.0395   0.56376   29.6701   -0.0237   7.87246   1.0000000
 63  1    7.32000   0.07000   600.000   30.0000   29.6693   0.00301   7.31390   0.00610   0.08717   29.6656   0.00367   1.22002   1.0000000
 64  1    7.52000   0.07000   700.000   30.0000   29.6789   0.00301   7.57130   -0.0513   0.73280   29.7100   -0.0310   10.3087   1.0000000
 65  1    7.78000   0.07000   800.000   30.0000   29.6819   0.00301   7.84022   -0.0602   0.86027   29.7184   -0.0365   12.1165   1.0000000
 66  1    8.03000   0.07000   900.000   30.0000   29.6873   0.00301   8.10551   -0.0755   1.07873   29.7332   -0.0459   15.2280   1.0000000
 67  1    8.26000   0.07000   1000.00   30.0000   29.6699   0.00301   8.40894   -0.1489   2.12769   29.7604   -0.0905   30.0703   1.0000000
 68  1    8.59000   0.07000   1100.00   30.0000   29.6392   0.00301   8.73468   -0.1447   2.06682   29.7266   -0.0875   29.0498   1.0000000
 69  1    8.95000   0.07000   1200.00   30.0000   29.5952   0.00301   9.08304   -0.1330   1.90059   29.6750   -0.0798   26.4926   1.0000000
 70  1    9.32000   0.07000   1300.00   30.0000   29.5506   0.00361   9.43307   -0.1131   1.61524   29.6178   -0.0672   18.5969   1.0000000
 71  1    9.66000   0.07000   1400.00   30.0000   29.5157   0.00361   9.76733   -0.1073   1.53322   29.5791   -0.0634   17.5401   1.0000000
 72  1    10.0200   0.07000   1500.00   30.0000   29.4844   0.00422   10.0958   -0.0758   1.08283   29.5288   -0.0444   10.5423   1.0000000
 73  1    10.3000   0.07000   1600.00   30.0000   29.4730   0.00422   10.3905   -0.0905   1.29216   29.5259   -0.0530   12.5685   1.0000000
 74  1    10.4700   0.07000   1700.00   30.0000   29.4681   0.00422   10.6738   -0.2038   2.91164   29.5882   -0.1200   28.4711   1.0000000
 75  1    10.6100   0.07000   1800.00   30.0000   29.5482   0.00422   10.8125   -0.2025   2.89221   29.6692   -0.1210   28.7032   1.0000000
 76  1    12.5300   0.07000   500.000   30.0000   26.9575   0.00723   12.8692   -0.3392   4.84501   27.0830   -0.1255   17.3641   1.0000000
 77  1    12.9200   0.07000   700.000   30.0000   27.0310   0.00542   13.2118   -0.2918   4.16816   27.1403   -0.1094   20.1766   1.0000000
 78  1    13.1700   0.07000   900.000   30.0000   27.1406   0.00422   13.4647   -0.2947   4.20952   27.2534   -0.1128   26.7653   1.0000000
 79  1    13.6100   0.07000   1100.00   30.0000   27.2183   0.00361   13.8079   -0.1979   2.82670   27.2949   -0.0766   21.2125   1.0000000
 80  1    13.4700   0.07000   1300.00   30.0000   27.5916   0.00301   13.4181   0.05189   0.74130   27.5703   0.02137   7.09712   1.0000000
 81  1    13.1400   0.07000   1400.00   30.0000   27.8422   0.00361   13.0991   0.04088   0.58404   27.8245   0.01765   4.88439   1.0000000
 82  1    12.9700   0.07000   1500.00   30.0000   28.1138   0.00422   12.7609   0.20905   2.98644   28.0195   0.09425   22.3584   1.0000000
 83  1    12.6200   0.07000   1600.00   30.0000   28.3197   0.00602   12.5911   0.02886   0.41223   28.3061   0.01361   2.26077   1.0000000
 84  1    12.2400   0.07000   1700.00   30.0000   28.6678   0.00602   12.1523   0.08774   1.25336   28.6238   0.04402   7.30964   1.0000000
 85  1    9.89000   0.07000   500.000   30.0000   28.1806   0.00361   9.87954   0.01046   0.14943   28.1758   0.00481   1.33076   1.0000000
 86  1    10.2500   0.07000   700.000   30.0000   28.2511   0.00361   10.2711   -0.0211   0.30167   28.2609   -0.0098   2.72434   1.0000000
 87  1    10.6100   0.07000   900.000   30.0000   28.3336   0.00361   10.6420   -0.0320   0.45665   28.3487   -0.0151   4.18971   1.0000000
 88  1    10.9600   0.07000   1100.00   30.0000   28.4034   0.00422   11.0432   -0.0832   1.18824   28.4434   -0.0400   9.49173   1.0000000
 89  1    11.3500   0.07000   1300.00   30.0000   28.3956   0.00662   11.6081   -0.2581   3.68734   28.5206   -0.1250   18.8724   1.0000000
 90  1    11.5900   0.07000   1400.00   30.0000   28.4426   0.00361   11.7849   -0.1949   2.78437   28.5375   -0.0950   26.2853   1.0000000
 91  1    11.7800   0.07000   1500.00   30.0000   28.4673   0.00361   12.0085   -0.2285   3.26377   28.5793   -0.1120   31.0072   1.0000000
 92  1    12.9500   0.07000   500.000   30.0000   27.0250   0.00301   12.6858   0.26415   3.77363   26.9280   0.09693   32.1917   1.0000000
 93  1    13.1200   0.07000   600.000   30.0000   27.0376   0.00301   12.9223   0.19773   2.82473   26.9647   0.07292   24.2160   1.0000000
 94  1    13.3300   0.07000   700.000   30.0000   27.0412   0.00301   13.1842   0.14579   2.08269   26.9873   0.05391   17.9037   1.0000000
 95  1    13.5600   0.07000   800.000   30.0000   27.0509   0.00301   13.4307   0.12932   1.84736   27.0029   0.04795   15.9229   1.0000000
 96  1    13.7700   0.07000   900.000   30.0000   27.0665   0.00301   13.6616   0.10845   1.54923   27.0261   0.04037   13.4069   1.0000000
 97  1    13.9800   0.07000   1000.00   30.0000   27.0629   0.00241   13.9444   0.03560   0.50859   27.0496   0.01328   5.51256   1.0000000
 98  1    14.2300   0.07000   1100.00   30.0000   27.0539   0.00241   14.2420   -0.0120   0.17172   27.0583   -0.0045   1.86075   1.0000000
 99  1    14.4700   0.07000   1200.00   30.0000   27.0418   0.00241   14.5479   -0.0779   1.11329   27.0709   -0.0291   12.0711   1.0000000
100  1    14.7500   0.07000   1300.00   30.0000   27.0250   0.00241   14.8670   -0.1170   1.67172   27.0686   -0.0436   18.0975   1.0000000
<-------------------------Observed Values---------------------------><----------------Calculated Values -------------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd       Wt
              GPA                                  CM^3/MOL               GPa                       cm^3/mol
101  1    15.0100   0.07000   1400.00   30.0000   27.0238   0.00241   15.1441   -0.1341   1.91552   27.0737   -0.0500   20.7461   1.0000000
102  1    15.2200   0.07000   1500.00   30.0000   27.0539   0.00301   15.3371   -0.1171   1.67251   27.0977   -0.0439   14.5686   1.0000000
103  1    15.3600   0.07000   1600.00   30.0000   27.1225   0.00301   15.4283   -0.0683   0.97561   27.1484   -0.0259   8.59585   1.0000000
104  1    15.3200   0.07000   1700.00   30.0000   27.2568   0.00301   15.3517   -0.0317   0.45253   27.2691   -0.0123   4.08572   1.0000000
105  1    15.1700   0.07000   1800.00   30.0000   27.4134   0.00301   15.2281   -0.0581   0.82994   27.4366   -0.0233   7.72233   1.0000000
106  1    20.3900   0.07000   800.000   30.0000   24.8925   0.00542   20.6104   -0.2204   3.14849   24.9469   -0.0543   10.0278   1.0000000
107  1    20.1500   0.07000   500.000   30.0000   24.8052   0.00542   20.1601   -0.0101   0.14477   24.8076   -0.0024   0.44975   1.0000000
108  1    20.2400   0.07000   600.000   30.0000   24.8335   0.00482   20.3116   -0.0716   1.02226   24.8509   -0.0174   3.60549   1.0000000
109  1    20.3700   0.07000   700.000   30.0000   24.8660   0.00542   20.4478   -0.0778   1.11128   24.8850   -0.0190   3.50788   1.0000000
110  1    20.4400   0.07000   800.000   30.0000   24.9190   0.00482   20.5026   -0.0626   0.89482   24.9345   -0.0155   3.21038   1.0000000
111  1    20.5200   0.07000   900.000   30.0000   24.9991   0.00422   20.4519   0.06805   0.97220   24.9821   0.01702   4.03821   1.0000000
112  1    20.4600   0.07000   1000.00   30.0000   25.0900   0.00361   20.3643   0.09566   1.36653   25.0657   0.02435   6.73828   1.0000000
113  1    20.2500   0.07000   1100.00   30.0000   25.1822   0.00361   20.2789   -0.0289   0.41302   25.1897   -0.0075   2.08087   1.0000000
114  1    20.0300   0.07000   1200.00   30.0000   25.3165   0.00301   20.0416   -0.0116   0.16624   25.3196   -0.0031   1.03125   1.0000000
115  1    19.7400   0.07000   1300.00   30.0000   25.4881   0.00301   19.6823   0.05774   0.82485   25.4722   0.01592   5.28610   1.0000000
116  1    19.3700   0.07000   1400.00   30.0000   25.7031   0.00301   19.1929   0.17713   2.53040   25.6523   0.05076   16.8579   1.0000000
117  1    19.0100   0.07000   1500.00   30.0000   25.9151   0.00301   18.7451   0.26490   3.78434   25.8362   0.07890   26.2031   1.0000000
118  1    18.5500   0.07000   1600.00   30.0000   26.1361   0.00361   18.2978   0.25224   3.60344   26.0577   0.07842   21.7034   1.0000000
119  1    18.0600   0.07000   1700.00   30.0000   26.3890   0.00422   17.7835   0.27654   3.95056   26.2988   0.09018   21.3915   1.0000000
120  1    17.4500   0.07000   1800.00   30.0000   26.6642   0.00361   17.2423   0.20768   2.96691   26.5927   0.07152   19.7946   1.0000000
121  1    14.8100   0.07000   500.000   30.0000   26.3944   0.00181   14.4944   0.31564   4.50909   26.2918   0.10268   56.8348   1.0000000
122  1    16.2300   0.07000   1300.00   30.0000   26.5865   0.00241   16.0992   0.13077   1.86817   26.5421   0.04445   18.4531   1.0000000

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 122 DATA:
      MAXIMUM DELTA-PRESSURE=-0.339


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      K0        Kp        Gamm0     q
    K0   :     100.0     -98.1     -46.4      -6.5
    Kp   :     -98.1     100.0      50.6      16.2
    Gamm0:     -46.4      50.6     100.0      84.8
    q    :      -6.5      16.2      84.8     100.0


  VARIANCE-COVARIANCE MATRIX NOT RESCALED
  VARIABLE     K0        Kp        Gamm0     q
    K0   :   0.03796  -0.01148  -0.00398  -0.00115
    Kp   :  -0.01148   0.00361   0.00134   0.00088
    Gamm0:  -0.00398   0.00134   0.00193   0.00337
    q    :  -0.00115   0.00088   0.00337   0.00819

 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/unweighted_printed_theta/fitted.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 09:36
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  36.2500           :Reference pressure volume: units are cm^3/mol
      K0:  19.32(19)         :Bulk modulus: units are GPa
      Kp:  5.16(6)           :dK/dP: dimensionless
     Kpp: -0.3313            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  177.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.02(4)           :Gruneisen parameter at Tref,Pref
       q:  1.04(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/unweighted_printed_theta/fitted.eos


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


EOSFIT-7.6>
***** Macro completed

EOSFIT-7.6>