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

***** Running macro

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


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


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


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



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

  THE 121 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   49.3096   0.00259
  2  1    1.46000   0.03000   300.000   0.00000   46.9013   0.00283
  3  1    2.64000   0.04000   300.000   0.00000   44.5439   0.00337
  4  1    4.15000   0.06000   300.000   0.00000   42.2292   0.00313
  5  1    6.03000   0.06000   300.000   0.00000   40.1035   0.00379
  6  1    7.83000   0.06000   300.000   0.00000   38.4809   0.00289
  7  1    10.0100   0.03000   300.000   0.00000   36.9276   0.00379
  8  1    11.8400   0.06000   300.000   0.00000   35.8054   0.00301
  9  1    13.4900   0.06000   300.000   0.00000   34.9349   0.00337
 10  1    14.8600   0.03000   300.000   0.00000   34.2741   0.00295
 11  1    16.9700   0.06000   300.000   0.00000   33.3686   0.00343
 12  1    18.7100   0.08000   300.000   0.00000   32.7264   0.00319
 13  1    20.1900   0.00000   300.000   0.00000   32.1839   0.00349
 14  1    22.4900   0.03000   300.000   0.00000   31.4453   0.00313
 15  1    24.3400   0.03000   300.000   0.00000   30.9119   0.00331
 16  1    26.0500   0.02000   300.000   0.00000   30.4264   0.00373
 17  1    2.43000   0.07000   500.000   30.0000   45.7635   0.00662
 18  1    2.66000   0.07000   600.000   30.0000   45.7610   0.00662
 19  1    2.83000   0.07000   700.000   30.0000   45.8008   0.00783
 20  1    2.97000   0.07000   800.000   30.0000   45.9260   0.00783
 21  1    2.96000   0.07000   900.000   30.0000   46.4289   0.00843
 22  1    2.95000   0.07000   1000.00   30.0000   46.7710   0.01144
 23  1    2.92000   0.07000   1100.00   30.0000   47.4412   0.01445
 24  1    2.89000   0.07000   1200.00   30.0000   48.1416   0.01506
 25  1    5.03000   0.07000   500.000   30.0000   41.6485   0.00783
 26  1    5.28000   0.07000   600.000   30.0000   41.5859   0.00783
 27  1    5.40000   0.07000   700.000   30.0000   41.6690   0.00662
 28  1    5.48000   0.07000   800.000   30.0000   41.7882   0.00662
 29  1    5.54000   0.07000   900.000   30.0000   41.9797   0.00723
 30  1    5.56000   0.07000   1000.00   30.0000   42.2802   0.00843
 31  1    5.54000   0.07000   1100.00   30.0000   42.6319   0.00903
 32  1    5.49000   0.07000   1200.00   30.0000   43.0131   0.00843
 33  1    5.44000   0.07000   1300.00   30.0000   43.3998   0.00903
 34  1    5.44000   0.07000   1400.00   30.0000   43.8990   0.01024
 35  1    8.34000   0.07000   500.000   30.0000   38.4965   0.01265
 36  1    8.30000   0.07000   600.000   30.0000   38.7133   0.01024
 37  1    8.30000   0.07000   700.000   30.0000   38.8561   0.00843
 38  1    8.29000   0.07000   800.000   30.0000   39.0355   0.00723
 39  1    8.25000   0.07000   900.000   30.0000   39.2523   0.00662
 40  1    8.17000   0.07000   1000.00   30.0000   39.4932   0.00662
 41  1    8.10000   0.07000   1100.00   30.0000   39.7485   0.00602
 42  1    7.98000   0.07000   1200.00   30.0000   40.0773   0.00723
 43  1    7.77000   0.07000   1300.00   30.0000   40.5959   0.00783
 44  1    7.53000   0.07000   1400.00   30.0000   41.1077   0.00903
 45  1    7.29000   0.07000   1500.00   30.0000   41.5546   0.00903
 46  1    6.95000   0.07000   1600.00   30.0000   42.0779   0.01265
 47  1    6.71000   0.07000   1700.00   30.0000   42.7313   0.01084
 48  1    5.93000   0.07000   500.000   30.0000   40.5669   0.00783
 49  1    6.18000   0.07000   600.000   30.0000   40.5007   0.00783
 50  1    6.32000   0.07000   700.000   30.0000   40.4537   0.00783
<------------------------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   40.3941   0.00843
 52  1    6.76000   0.07000   900.000   30.0000   40.3261   0.00783
 53  1    7.03000   0.07000   1000.00   30.0000   40.2990   0.00783
 54  1    7.38000   0.07000   1100.00   30.0000   40.1942   0.00783
 55  1    7.71000   0.07000   1200.00   30.0000   40.0653   0.00723
 56  1    8.04000   0.07000   1300.00   30.0000   39.9310   0.00662
 57  1    8.35000   0.07000   1400.00   30.0000   39.8870   0.00602
 58  1    8.73000   0.07000   1500.00   30.0000   39.8720   0.00602
 59  1    8.71000   0.07000   1600.00   30.0000   39.9226   0.00662
 60  1    8.71000   0.07000   1700.00   30.0000   40.0611   0.00662
 61  1    8.62000   0.07000   1800.00   30.0000   40.1803   0.00843
 62  1    7.32000   0.07000   600.000   30.0000   39.3908   0.00482
 63  1    7.52000   0.07000   700.000   30.0000   39.3685   0.00542
 64  1    7.78000   0.07000   800.000   30.0000   39.3324   0.00542
 65  1    8.03000   0.07000   900.000   30.0000   39.2921   0.00602
 66  1    8.26000   0.07000   1000.00   30.0000   39.2029   0.00602
 67  1    8.59000   0.07000   1100.00   30.0000   39.1108   0.00602
 68  1    8.95000   0.07000   1200.00   30.0000   38.9705   0.00602
 69  1    9.32000   0.07000   1300.00   30.0000   38.8494   0.00662
 70  1    9.66000   0.07000   1400.00   30.0000   38.7537   0.00662
 71  1    10.0200   0.07000   1500.00   30.0000   38.6736   0.00964
 72  1    10.3000   0.07000   1600.00   30.0000   38.5953   0.00723
 73  1    10.4700   0.07000   1700.00   30.0000   38.5574   0.00723
 74  1    10.6100   0.07000   1800.00   30.0000   38.5826   0.00903
 75  1    12.5300   0.07000   500.000   30.0000   35.5180   0.01265
 76  1    12.9200   0.07000   700.000   30.0000   35.5144   0.01204
 77  1    13.1700   0.07000   900.000   30.0000   35.5517   0.00783
 78  1    13.6100   0.07000   1100.00   30.0000   35.5668   0.00723
 79  1    13.4700   0.07000   1300.00   30.0000   35.9148   0.00843
 80  1    13.1400   0.07000   1400.00   30.0000   36.1876   0.00783
 81  1    12.9700   0.07000   1500.00   30.0000   36.4430   0.00964
 82  1    12.6200   0.07000   1600.00   30.0000   36.8585   0.00723
 83  1    12.2400   0.07000   1700.00   30.0000   37.1735   0.01024
 84  1    9.89000   0.07000   500.000   30.0000   37.1705   0.00482
 85  1    10.2500   0.07000   700.000   30.0000   37.1771   0.00542
 86  1    10.6100   0.07000   900.000   30.0000   37.2036   0.00662
 87  1    10.9600   0.07000   1100.00   30.0000   37.2102   0.00662
 88  1    11.3500   0.07000   1300.00   30.0000   37.1530   0.00723
 89  1    11.5900   0.07000   1400.00   30.0000   37.1102   0.00783
 90  1    11.7800   0.07000   1500.00   30.0000   37.0994   0.00843
 91  1    12.9500   0.07000   500.000   30.0000   35.5481   0.00783
 92  1    13.1200   0.07000   600.000   30.0000   35.4993   0.00843
 93  1    13.3300   0.07000   700.000   30.0000   35.4794   0.00783
 94  1    13.5600   0.07000   800.000   30.0000   35.4138   0.00843
 95  1    13.7700   0.07000   900.000   30.0000   35.3735   0.00843
 96  1    13.9800   0.07000   1000.00   30.0000   35.3542   0.00903
 97  1    14.2300   0.07000   1100.00   30.0000   35.3156   0.00964
 98  1    14.4700   0.07000   1200.00   30.0000   35.2518   0.01084
 99  1    14.7500   0.07000   1300.00   30.0000   35.2042   0.00964
100  1    15.0100   0.07000   1400.00   30.0000   35.1639   0.00964
<------------------------Observed Values-------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)
              GPA                                  CM^3/MOL
101  1    15.2200   0.07000   1500.00   30.0000   35.1422   0.01024
102  1    15.3600   0.07000   1600.00   30.0000   35.1988   0.00903
103  1    15.3200   0.07000   1700.00   30.0000   35.3096   0.01024
104  1    15.1700   0.07000   1800.00   30.0000   35.5457   0.01084
105  1    20.3900   0.07000   800.000   30.0000   32.3780   0.00662
106  1    20.1500   0.07000   500.000   30.0000   32.3244   0.00482
107  1    20.2400   0.07000   600.000   30.0000   32.3275   0.00542
108  1    20.3700   0.07000   700.000   30.0000   32.3660   0.00542
109  1    20.4400   0.07000   800.000   30.0000   32.3913   0.00482
110  1    20.5200   0.07000   900.000   30.0000   32.4383   0.00542
111  1    20.4600   0.07000   1000.00   30.0000   32.5099   0.00482
112  1    20.2500   0.07000   1100.00   30.0000   32.5900   0.00542
113  1    20.0300   0.07000   1200.00   30.0000   32.7339   0.00662
114  1    19.7400   0.07000   1300.00   30.0000   32.9321   0.00542
115  1    19.3700   0.07000   1400.00   30.0000   33.1820   0.00542
116  1    19.0100   0.07000   1500.00   30.0000   33.5096   0.00662
117  1    18.5500   0.07000   1600.00   30.0000   33.8203   0.00602
118  1    18.0600   0.07000   1700.00   30.0000   34.1491   0.00602
119  1    17.4500   0.07000   1800.00   30.0000   34.4822   0.00903
120  1    14.8100   0.07000   500.000   30.0000   34.5821   0.00723
121  1    16.2300   0.07000   1300.00   30.0000   34.6068   0.00542

       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):51.11
          VALUE OF K0    (    10.000):13.69
          VALUE OF Kp    (     4.000):4.95
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  51.1100           :Reference pressure volume: units as volume data
      K0:  13.6900           :Bulk modulus: same units as pressure data
      Kp:  4.95000           :dK/dP: dimensionless
     Kpp: -0.4194            :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    (    51.110):51.11
    Debye temperature in K:
                    VALUE OF ThMGD (   298.000):118.0
    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):2.21
    Gruneisen power law in V/V0:
                    VALUE OF q     (     0.000):1.42

*****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:  51.1100           :Reference pressure volume: units as volume data
      K0:  13.6900           :Bulk modulus: same units as pressure data
      Kp:  4.95000           :dK/dP: dimensionless
     Kpp: -0.4194            :d2K/dP2: inverse pressure units [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  118.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.21000           :Gruneisen parameter at Tref,Pref
       q:  1.42000           :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:  51.1100           :Reference pressure volume: units as volume data
      K0:  13.6900           :Bulk modulus: units are GPa
      Kp:  4.95000           :dK/dP: dimensionless
     Kpp: -0.4194            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  118.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.21000           :Gruneisen parameter at Tref,Pref
       q:  1.42000           :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:  51.1100           :Reference pressure volume: units are cm^3/mol
      K0:  13.6900           :Bulk modulus: units are GPa
      Kp:  4.95000           :dK/dP: dimensionless
     Kpp: -0.4194            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  118.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.21000           :Gruneisen parameter at Tref,Pref
       q:  1.42000           :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/rbi/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:  51.1100           :Reference pressure volume: units are cm^3/mol
      K0:  13.6900           :Bulk modulus: units are GPa
      Kp:  4.95000           :dK/dP: dimensionless
     Kpp: -0.4194            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  118.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.21000           :Gruneisen parameter at Tref,Pref
       q:  1.42000           :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/rbi/unweighted_printed_theta/initial.eos


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


EOSFIT-7.6>list

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

  THE 121 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   49.3096   0.00259   0.53654   0.00346       INF   49.2992   0.01047   4.04227
  2  1    1.46000   0.03000   300.000   0.00000   46.9013   0.00283   1.45596   0.00404   0.13457   46.8921   0.00921   3.25348
  3  1    2.64000   0.04000   300.000   0.00000   44.5439   0.00337   2.64876   -0.0088   0.21912   44.5590   -0.0151   4.47710
  4  1    4.15000   0.06000   300.000   0.00000   42.2292   0.00313   4.20044   -0.0504   0.84066   42.2950   -0.0658   21.0097
  5  1    6.03000   0.06000   300.000   0.00000   40.1035   0.00379   6.07333   -0.0433   0.72209   40.1468   -0.0433   11.4060
  6  1    7.83000   0.06000   300.000   0.00000   38.4809   0.00289   7.88337   -0.0534   0.88941   38.5242   -0.0433   14.9783
  7  1    10.0100   0.03000   300.000   0.00000   36.9276   0.00379   10.0125   -0.0025   0.08262   36.9293   -0.0016   0.43034
  8  1    11.8400   0.06000   300.000   0.00000   35.8054   0.00301   11.8488   -0.0088   0.14744   35.8104   -0.0050   1.66596
  9  1    13.4900   0.06000   300.000   0.00000   34.9349   0.00337   13.4790   0.01098   0.18304   34.9293   0.00552   1.63791
 10  1    14.8600   0.03000   300.000   0.00000   34.2741   0.00295   14.8541   0.00592   0.19741   34.2714   0.00272   0.92043
 11  1    16.9700   0.06000   300.000   0.00000   33.3686   0.00343   16.9582   0.01180   0.19668   33.3638   0.00477   1.38913
 12  1    18.7100   0.08000   300.000   0.00000   32.7264   0.00319   18.6241   0.08595   1.07431   32.6948   0.03157   9.89250
 13  1    20.1900   0.00000   300.000   0.00000   32.1839   0.00349   20.1571   0.03287       INF   32.1728   0.01117   3.19890
 14  1    22.4900   0.03000   300.000   0.00000   31.4453   0.00313   22.4513   0.03873   1.29089   31.4335   0.01180   3.76717
 15  1    24.3400   0.03000   300.000   0.00000   30.9119   0.00331   24.2721   0.06786   2.26192   30.8928   0.01907   5.75744
 16  1    26.0500   0.02000   300.000   0.00000   30.4264   0.00373   26.0620   -0.0120   0.59910   30.4296   -0.0031   0.83880
 17  1    2.43000   0.07000   500.000   30.0000   45.7635   0.00662   2.39883   0.03117   0.44531   45.7011   0.06239   9.41818
 18  1    2.66000   0.07000   600.000   30.0000   45.7610   0.00662   2.60519   0.05481   0.78297   45.6513   0.10978   16.5727
 19  1    2.83000   0.07000   700.000   30.0000   45.8008   0.00783   2.79098   0.03902   0.55743   45.7218   0.07899   10.0893
 20  1    2.97000   0.07000   800.000   30.0000   45.9260   0.00783   2.93568   0.03432   0.49022   45.8552   0.07083   9.04755
 21  1    2.96000   0.07000   900.000   30.0000   46.4289   0.00843   2.90722   0.05278   0.75398   46.3130   0.11594   13.7521
 22  1    2.95000   0.07000   1000.00   30.0000   46.7710   0.01144   2.96334   -0.0133   0.19053   46.8019   -0.0309   2.70481
 23  1    2.92000   0.07000   1100.00   30.0000   47.4412   0.01445   2.89427   0.02573   0.36763   47.3765   0.06470   4.47661
 24  1    2.89000   0.07000   1200.00   30.0000   48.1416   0.01506   2.83849   0.05151   0.73583   48.0005   0.14108   9.37068
 25  1    5.03000   0.07000   500.000   30.0000   41.6485   0.00783   5.05570   -0.0257   0.36716   41.6798   -0.0313   3.99753
 26  1    5.28000   0.07000   600.000   30.0000   41.5859   0.00783   5.30422   -0.0242   0.34600   41.6152   -0.0293   3.74707
 27  1    5.40000   0.07000   700.000   30.0000   41.6690   0.00662   5.43310   -0.0331   0.47279   41.7096   -0.0406   6.13405
 28  1    5.48000   0.07000   800.000   30.0000   41.7882   0.00662   5.53412   -0.0541   0.77318   41.8560   -0.0677   10.2255
 29  1    5.54000   0.07000   900.000   30.0000   41.9797   0.00723   5.58046   -0.0405   0.57802   42.0317   -0.0519   7.18855
 30  1    5.56000   0.07000   1000.00   30.0000   42.2802   0.00843   5.54887   0.01113   0.15896   42.2654   0.01481   1.75645
 31  1    5.54000   0.07000   1100.00   30.0000   42.6319   0.00903   5.49025   0.04975   0.71069   42.5628   0.06915   7.65540
 32  1    5.49000   0.07000   1200.00   30.0000   43.0131   0.00843   5.42403   0.06597   0.94244   42.9168   0.09629   11.4210
 33  1    5.44000   0.07000   1300.00   30.0000   43.3998   0.00903   5.36822   0.07178   1.02549   43.2896   0.11020   12.1989
 34  1    5.44000   0.07000   1400.00   30.0000   43.8990   0.01024   5.25732   0.18268   2.60968   43.6030   0.29595   28.9082
 35  1    8.34000   0.07000   500.000   30.0000   38.4965   0.01265   8.24208   0.09791   1.39878   38.4173   0.07925   6.26689
 36  1    8.30000   0.07000   600.000   30.0000   38.7133   0.01024   8.17007   0.12993   1.85618   38.6052   0.10817   10.5662
 37  1    8.30000   0.07000   700.000   30.0000   38.8561   0.00843   8.19278   0.10722   1.53175   38.7649   0.09121   10.8179
 38  1    8.29000   0.07000   800.000   30.0000   39.0355   0.00723   8.17743   0.11257   1.60809   38.9374   0.09814   13.5811
 39  1    8.25000   0.07000   900.000   30.0000   39.2523   0.00662   8.12636   0.12364   1.76629   39.1413   0.11099   16.7552
 40  1    8.17000   0.07000   1000.00   30.0000   39.4932   0.00662   8.05722   0.11278   1.61116   39.3885   0.10469   15.8039
 41  1    8.10000   0.07000   1100.00   30.0000   39.7485   0.00602   7.98223   0.11777   1.68239   39.6354   0.11316   18.7899
 42  1    7.98000   0.07000   1200.00   30.0000   40.0773   0.00723   7.84411   0.13589   1.94122   39.9411   0.13630   18.8603
 43  1    7.77000   0.07000   1300.00   30.0000   40.5959   0.00783   7.54400   0.22600   3.22851   40.3547   0.24120   30.8088
 44  1    7.53000   0.07000   1400.00   30.0000   41.1077   0.00903   7.28361   0.24639   3.51988   40.8270   0.28074   31.0785
 45  1    7.29000   0.07000   1500.00   30.0000   41.5546   0.00903   7.10680   0.18320   2.61707   41.3322   0.22237   24.6165
 46  1    6.95000   0.07000   1600.00   30.0000   42.0779   0.01265   6.89428   0.05572   0.79604   42.0047   0.07318   5.78667
 47  1    6.71000   0.07000   1700.00   30.0000   42.7313   0.01084   6.61906   0.09094   1.29916   42.6016   0.12967   11.9626
 48  1    5.93000   0.07000   500.000   30.0000   40.5669   0.00783   6.00870   -0.0787   1.12425   40.6509   -0.0840   10.7233
 49  1    6.18000   0.07000   600.000   30.0000   40.5007   0.00783   6.26592   -0.0859   1.22737   40.5918   -0.0911   11.6408
 50  1    6.32000   0.07000   700.000   30.0000   40.4537   0.00783   6.50534   -0.1853   2.64768   40.6509   -0.1972   25.1848
<-------------------------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   40.3941   0.00843   6.75712   -0.2271   3.24459   40.6351   -0.2410   28.5829
 52  1    6.76000   0.07000   900.000   30.0000   40.3261   0.00783   7.01734   -0.2573   3.67624   40.5979   -0.2718   34.7187
 53  1    7.03000   0.07000   1000.00   30.0000   40.2990   0.00783   7.23833   -0.2083   2.97613   40.5180   -0.2190   27.9754
 54  1    7.38000   0.07000   1100.00   30.0000   40.1942   0.00783   7.53477   -0.1548   2.21101   40.3545   -0.1603   20.4744
 55  1    7.71000   0.07000   1200.00   30.0000   40.0653   0.00723   7.85602   -0.1460   2.08601   40.2142   -0.1489   20.6097
 56  1    8.04000   0.07000   1300.00   30.0000   39.9310   0.00662   8.18435   -0.1443   2.06212   40.0760   -0.1450   21.8850
 57  1    8.35000   0.07000   1400.00   30.0000   39.8870   0.00602   8.42284   -0.0728   1.04058   39.9596   -0.0725   12.0462
 58  1    8.73000   0.07000   1500.00   30.0000   39.8720   0.00602   8.63221   0.09779   1.39694   39.7757   0.09634   15.9977
 59  1    8.71000   0.07000   1600.00   30.0000   39.9226   0.00662   8.77566   -0.0657   0.93794   39.9885   -0.0659   9.95431
 60  1    8.71000   0.07000   1700.00   30.0000   40.0611   0.00662   8.83299   -0.1230   1.75705   40.1876   -0.1265   19.1001
 61  1    8.62000   0.07000   1800.00   30.0000   40.1803   0.00843   8.91189   -0.2919   4.16983   40.4896   -0.3092   36.6797
 62  1    7.32000   0.07000   600.000   30.0000   39.3908   0.00482   7.39644   -0.0764   1.09195   39.4611   -0.0703   14.5859
 63  1    7.52000   0.07000   700.000   30.0000   39.3685   0.00542   7.61328   -0.0933   1.33259   39.4543   -0.0858   15.8249
 64  1    7.78000   0.07000   800.000   30.0000   39.3324   0.00542   7.84550   -0.0655   0.93572   39.3924   -0.0600   11.0614
 65  1    8.03000   0.07000   900.000   30.0000   39.2921   0.00602   8.08252   -0.0525   0.75026   39.3399   -0.0479   7.94911
 66  1    8.26000   0.07000   1000.00   30.0000   39.2029   0.00602   8.37372   -0.1137   1.62454   39.3060   -0.1030   17.1094
 67  1    8.59000   0.07000   1100.00   30.0000   39.1108   0.00602   8.66915   -0.0791   1.13066   39.1816   -0.0708   11.7643
 68  1    8.95000   0.07000   1200.00   30.0000   38.9705   0.00602   9.02028   -0.0703   1.00400   39.0323   -0.0618   10.2694
 69  1    9.32000   0.07000   1300.00   30.0000   38.8494   0.00662   9.35148   -0.0315   0.44974   38.8767   -0.0273   4.11452
 70  1    9.66000   0.07000   1400.00   30.0000   38.7537   0.00662   9.65481   0.00519   0.07418   38.7492   0.00444   0.66972
 71  1    10.0200   0.07000   1500.00   30.0000   38.6736   0.00964   9.94067   0.07933   1.13328   38.6067   0.06693   6.94613
 72  1    10.3000   0.07000   1600.00   30.0000   38.5953   0.00723   10.2251   0.07494   1.07051   38.5326   0.06270   8.67662
 73  1    10.4700   0.07000   1700.00   30.0000   38.5574   0.00723   10.4618   0.00818   0.11689   38.5505   0.00685   0.94806
 74  1    10.6100   0.07000   1800.00   30.0000   38.5826   0.00903   10.6232   -0.0132   0.18887   38.5938   -0.0111   1.23311
 75  1    12.5300   0.07000   500.000   30.0000   35.5180   0.01265   12.7300   -0.2000   2.85660   35.6281   -0.1101   8.70927
 76  1    12.9200   0.07000   700.000   30.0000   35.5144   0.01204   13.1042   -0.1842   2.63188   35.6160   -0.1016   8.43686
 77  1    13.1700   0.07000   900.000   30.0000   35.5517   0.00783   13.4052   -0.2352   3.36016   35.6827   -0.1310   16.7327
 78  1    13.6100   0.07000   1100.00   30.0000   35.5668   0.00723   13.7475   -0.1375   1.96427   35.6434   -0.0766   10.6060
 79  1    13.4700   0.07000   1300.00   30.0000   35.9148   0.00843   13.5059   -0.0359   0.51271   35.9358   -0.0210   2.48537
 80  1    13.1400   0.07000   1400.00   30.0000   36.1876   0.00783   13.2330   -0.0930   1.32893   36.2443   -0.0566   7.23054
 81  1    12.9700   0.07000   1500.00   30.0000   36.4430   0.00964   13.0060   -0.0360   0.51361   36.4656   -0.0226   2.34810
 82  1    12.6200   0.07000   1600.00   30.0000   36.8585   0.00723   12.5510   0.06904   0.98626   36.8127   0.04583   6.34237
 83  1    12.2400   0.07000   1700.00   30.0000   37.1735   0.01024   12.2765   -0.0365   0.52132   37.1989   -0.0254   2.48534
 84  1    9.89000   0.07000   500.000   30.0000   37.1705   0.00482   10.0222   -0.1322   1.88912   37.2614   -0.0909   18.8695
 85  1    10.2500   0.07000   700.000   30.0000   37.1771   0.00542   10.3876   -0.1376   1.96626   37.2721   -0.0950   17.5324
 86  1    10.6100   0.07000   900.000   30.0000   37.2036   0.00662   10.7253   -0.1153   1.64751   37.2836   -0.0801   12.0861
 87  1    10.9600   0.07000   1100.00   30.0000   37.2102   0.00662   11.0925   -0.1325   1.89253   37.3026   -0.0924   13.9485
 88  1    11.3500   0.07000   1300.00   30.0000   37.1530   0.00723   11.5521   -0.2021   2.88670   37.2937   -0.1407   19.4753
 89  1    11.5900   0.07000   1400.00   30.0000   37.1102   0.00783   11.8026   -0.2126   3.03665   37.2577   -0.1475   18.8382
 90  1    11.7800   0.07000   1500.00   30.0000   37.0994   0.00843   12.0067   -0.2267   3.23851   37.2568   -0.1574   18.6681
 91  1    12.9500   0.07000   500.000   30.0000   35.5481   0.00783   12.6750   0.27501   3.92877   35.3987   0.14943   19.0872
 92  1    13.1200   0.07000   600.000   30.0000   35.4993   0.00843   12.9477   0.17228   2.46116   35.4059   0.09345   11.0844
 93  1    13.3300   0.07000   700.000   30.0000   35.4794   0.00783   13.1681   0.16186   2.31227   35.3917   0.08771   11.2037
 94  1    13.5600   0.07000   800.000   30.0000   35.4138   0.00843   13.4732   0.08681   1.24017   35.3670   0.04681   5.55170
 95  1    13.7700   0.07000   900.000   30.0000   35.3735   0.00843   13.7322   0.03783   0.54049   35.3531   0.02035   2.41388
 96  1    13.9800   0.07000   1000.00   30.0000   35.3542   0.00903   13.9523   0.02774   0.39632   35.3393   0.01491   1.65034
 97  1    14.2300   0.07000   1100.00   30.0000   35.3156   0.00964   14.2084   0.02162   0.30890   35.3041   0.01158   1.20157
 98  1    14.4700   0.07000   1200.00   30.0000   35.2518   0.01084   14.5123   -0.0423   0.60404   35.2743   -0.0225   2.07629
 99  1    14.7500   0.07000   1300.00   30.0000   35.2042   0.00964   14.7862   -0.0362   0.51756   35.2234   -0.0192   1.99060
100  1    15.0100   0.07000   1400.00   30.0000   35.1639   0.00964   15.0469   -0.0369   0.52680   35.1833   -0.0194   2.01594
<-------------------------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    15.2200   0.07000   1500.00   30.0000   35.1422   0.01024   15.2722   -0.0522   0.74584   35.1697   -0.0275   2.68395
102  1    15.3600   0.07000   1600.00   30.0000   35.1988   0.00903   15.3491   0.01090   0.15572   35.1930   0.00579   0.64062
103  1    15.3200   0.07000   1700.00   30.0000   35.3096   0.01024   15.3262   -0.0062   0.08786   35.3129   -0.0033   0.32418
104  1    15.1700   0.07000   1800.00   30.0000   35.5457   0.01084   15.0803   0.08972   1.28168   35.4958   0.04986   4.59952
105  1    20.3900   0.07000   800.000   30.0000   32.3780   0.00662   20.4737   -0.0837   1.19574   32.4075   -0.0295   4.45082
106  1    20.1500   0.07000   500.000   30.0000   32.3244   0.00482   20.0970   0.05297   0.75678   32.3060   0.01840   3.81968
107  1    20.2400   0.07000   600.000   30.0000   32.3275   0.00542   20.2645   -0.0245   0.35038   32.3360   -0.0085   1.57728
108  1    20.3700   0.07000   700.000   30.0000   32.3660   0.00542   20.3309   0.03909   0.55847   32.3523   0.01369   2.52534
109  1    20.4400   0.07000   800.000   30.0000   32.3913   0.00482   20.4360   0.00397   0.05670   32.3899   0.00140   0.29059
110  1    20.5200   0.07000   900.000   30.0000   32.4383   0.00542   20.4806   0.03944   0.56343   32.4243   0.01398   2.57953
111  1    20.4600   0.07000   1000.00   30.0000   32.5099   0.00482   20.4575   0.00253   0.03621   32.5090   0.00091   0.18924
112  1    20.2500   0.07000   1100.00   30.0000   32.5900   0.00542   20.4137   -0.1637   2.33833   32.6498   -0.0598   11.0262
113  1    20.0300   0.07000   1200.00   30.0000   32.7339   0.00662   20.2003   -0.1703   2.43348   32.7975   -0.0636   9.59785
114  1    19.7400   0.07000   1300.00   30.0000   32.9321   0.00542   19.8537   -0.1137   1.62386   32.9757   -0.0436   8.05250
115  1    19.3700   0.07000   1400.00   30.0000   33.1820   0.00542   19.3920   -0.0220   0.31455   33.1907   -0.0088   1.61458
116  1    19.0100   0.07000   1500.00   30.0000   33.5096   0.00662   18.7669   0.24310   3.47287   33.4090   0.10060   15.1866
117  1    18.5500   0.07000   1600.00   30.0000   33.8203   0.00602   18.2190   0.33104   4.72916   33.6774   0.14295   23.7377
118  1    18.0600   0.07000   1700.00   30.0000   34.1491   0.00602   17.6646   0.39537   5.64820   33.9705   0.17867   29.6687
119  1    17.4500   0.07000   1800.00   30.0000   34.4822   0.00903   17.1366   0.31337   4.47666   34.3332   0.14894   16.4886
120  1    14.8100   0.07000   500.000   30.0000   34.5821   0.00723   14.5571   0.25290   3.61285   34.4617   0.12045   16.6681
121  1    16.2300   0.07000   1300.00   30.0000   34.6068   0.00542   15.9648   0.26517   3.78810   34.4790   0.12778   23.5768

EOSFIT-7.6>fit
     121 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:  51.1100           :Reference pressure volume: units are cm^3/mol
      K0:  13.6900           :Bulk modulus: units are GPa
      Kp:  4.95000           :dK/dP: dimensionless
     Kpp: -0.4194            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  118.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.21000           :Gruneisen parameter at Tref,Pref
       q:  1.42000           :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        51.11000  [NOT REFINED]
 K0      1        13.44068         -0.24931          0.12620          -1.98
 Kp      1         5.03907          0.08907          0.04441           2.01
 Kpp     0        -0.44697  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       118.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.27396          0.06396          0.07016           0.91
 q       1         1.44082          0.02082          0.10149           0.21
     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        51.11000  [NOT REFINED]
 K0      1        13.44060         -0.00008          0.12385          -0.00
 Kp      1         5.04077          0.00170          0.04520           0.04
 Kpp     0        -0.44736  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       118.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.27425          0.00029          0.06912           0.00
 q       1         1.44073         -0.00009          0.09734          -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        51.11000  [NOT REFINED]
 K0      1        13.44061          0.00000          0.12380           0.00
 Kp      1         5.04077         -0.00000          0.04520          -0.00
 Kpp     0        -0.44736  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       118.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.27425          0.00000          0.06909           0.00
 q       1         1.44073          0.00000          0.09729           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        51.11000  [NOT REFINED]
 K0      1        13.44061          0.00000          0.12380           0.00
 Kp      1         5.04077         -0.00000          0.04520          -0.00
 Kpp     0        -0.44736  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       118.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.27425          0.00000          0.06909           0.00
 q       1         1.44073          0.00000          0.09729           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 121 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   49.3096   0.00259   0.52762   0.01238       INF   49.2717   0.03797   14.6621   1.0000000
  2  1    1.46000   0.03000   300.000   0.00000   46.9013   0.00283   1.43495   0.02505   0.83514   46.8437   0.05761   20.3525   1.0000000
  3  1    2.64000   0.04000   300.000   0.00000   44.5439   0.00337   2.61642   0.02358   0.58953   44.5031   0.04083   12.1079   1.0000000
  4  1    4.15000   0.06000   300.000   0.00000   42.2292   0.00313   4.15866   -0.0087   0.14426   42.2405   -0.0113   3.60820   1.0000000
  5  1    6.03000   0.06000   300.000   0.00000   40.1035   0.00379   6.02600   0.00400   0.06669   40.0995   0.00399   1.05172   1.0000000
  6  1    7.83000   0.06000   300.000   0.00000   38.4809   0.00289   7.83532   -0.0053   0.08861   38.4852   -0.0043   1.48464   1.0000000
  7  1    10.0100   0.03000   300.000   0.00000   36.9276   0.00379   9.96818   0.04182   1.39408   36.9002   0.02745   7.23636   1.0000000
  8  1    11.8400   0.06000   300.000   0.00000   35.8054   0.00301   11.8111   0.02893   0.48224   35.7890   0.01632   5.41976   1.0000000
  9  1    13.4900   0.06000   300.000   0.00000   34.9349   0.00337   13.4492   0.04080   0.68005   34.9145   0.02040   6.04827   1.0000000
 10  1    14.8600   0.03000   300.000   0.00000   34.2741   0.00295   14.8324   0.02762   0.92055   34.2615   0.01259   4.26735   1.0000000
 11  1    16.9700   0.06000   300.000   0.00000   33.3686   0.00343   16.9512   0.01884   0.31401   33.3611   0.00755   2.20039   1.0000000
 12  1    18.7100   0.08000   300.000   0.00000   32.7264   0.00319   18.6303   0.07966   0.99571   32.6974   0.02903   9.09412   1.0000000
 13  1    20.1900   0.00000   300.000   0.00000   32.1839   0.00349   20.1769   0.01309       INF   32.1795   0.00441   1.26252   1.0000000
 14  1    22.4900   0.03000   300.000   0.00000   31.4453   0.00313   22.4932   -0.0032   0.10700   31.4462  -0.00096   0.30759   1.0000000
 15  1    24.3400   0.03000   300.000   0.00000   30.9119   0.00331   24.3332   0.00677   0.22583   30.9100   0.00189   0.57010   1.0000000
 16  1    26.0500   0.02000   300.000   0.00000   30.4264   0.00373   26.1431   -0.0931   4.65593   30.4506   -0.0241   6.45808   1.0000000
 17  1    2.43000   0.07000   500.000   30.0000   45.7635   0.00662   2.38310   0.04690   0.66996   45.6688   0.09465   14.2888   1.0000000
 18  1    2.66000   0.07000   600.000   30.0000   45.7610   0.00662   2.59493   0.06507   0.92963   45.6295   0.13156   19.8602   1.0000000
 19  1    2.83000   0.07000   700.000   30.0000   45.8008   0.00783   2.78641   0.04359   0.62272   45.7116   0.08916   11.3889   1.0000000
 20  1    2.97000   0.07000   800.000   30.0000   45.9260   0.00783   2.93731   0.03269   0.46704   45.8578   0.06829   8.72303   1.0000000
 21  1    2.96000   0.07000   900.000   30.0000   46.4289   0.00843   2.91727   0.04273   0.61041   46.3337   0.09520   11.2921   1.0000000
 22  1    2.95000   0.07000   1000.00   30.0000   46.7710   0.01144   2.98103   -0.0310   0.44324   46.8442   -0.0732   6.39780   1.0000000
 23  1    2.92000   0.07000   1100.00   30.0000   47.4412   0.01445   2.92174   -0.0017   0.02481   47.4457   -0.0045   0.30854   1.0000000
 24  1    2.89000   0.07000   1200.00   30.0000   48.1416   0.01506   2.87615   0.01385   0.19785   48.1027   0.03885   2.58015   1.0000000
 25  1    5.03000   0.07000   500.000   30.0000   41.6485   0.00783   5.02162   0.00839   0.11979   41.6383   0.01022   1.30587   1.0000000
 26  1    5.28000   0.07000   600.000   30.0000   41.5859   0.00783   5.27476   0.00524   0.07487   41.5795   0.00636   0.81227   1.0000000
 27  1    5.40000   0.07000   700.000   30.0000   41.6690   0.00662   5.40879   -0.0088   0.12553   41.6798   -0.0108   1.63314   1.0000000
 28  1    5.48000   0.07000   800.000   30.0000   41.7882   0.00662   5.51515   -0.0351   0.50213   41.8324   -0.0441   6.66385   1.0000000
 29  1    5.54000   0.07000   900.000   30.0000   41.9797   0.00723   5.56718   -0.0272   0.38825   42.0148   -0.0350   4.84955   1.0000000
 30  1    5.56000   0.07000   1000.00   30.0000   42.2802   0.00843   5.54186   0.01814   0.25909   42.2560   0.02428   2.87946   1.0000000
 31  1    5.54000   0.07000   1100.00   30.0000   42.6319   0.00903   5.48992   0.05008   0.71543   42.5618   0.07009   7.75886   1.0000000
 32  1    5.49000   0.07000   1200.00   30.0000   43.0131   0.00843   5.43071   0.05929   0.84701   42.9259   0.08726   10.3496   1.0000000
 33  1    5.44000   0.07000   1300.00   30.0000   43.3998   0.00903   5.38213   0.05787   0.82675   43.3100   0.08974   9.93411   1.0000000
 34  1    5.44000   0.07000   1400.00   30.0000   43.8990   0.01024   5.27932   0.16068   2.29541   43.6356   0.26339   25.7279   1.0000000
 35  1    8.34000   0.07000   500.000   30.0000   38.4965   0.01265   8.20260   0.13740   1.96288   38.3856   0.11094   8.77231   1.0000000
 36  1    8.30000   0.07000   600.000   30.0000   38.7133   0.01024   8.13490   0.16510   2.35852   38.5761   0.13718   13.3996   1.0000000
 37  1    8.30000   0.07000   700.000   30.0000   38.8561   0.00843   8.16206   0.13794   1.97052   38.7389   0.11716   13.8969   1.0000000
 38  1    8.29000   0.07000   800.000   30.0000   39.0355   0.00723   8.15129   0.13871   1.98157   38.9147   0.12084   16.7219   1.0000000
 39  1    8.25000   0.07000   900.000   30.0000   39.2523   0.00662   8.10495   0.14505   2.07216   39.1221   0.13019   19.6535   1.0000000
 40  1    8.17000   0.07000   1000.00   30.0000   39.4932   0.00662   8.04073   0.12927   1.84675   39.3731   0.12008   18.1269   1.0000000
 41  1    8.10000   0.07000   1100.00   30.0000   39.7485   0.00602   7.97085   0.12915   1.84493   39.6243   0.12427   20.6351   1.0000000
 42  1    7.98000   0.07000   1200.00   30.0000   40.0773   0.00723   7.83823   0.14177   2.02535   39.9348   0.14256   19.7265   1.0000000
 43  1    7.77000   0.07000   1300.00   30.0000   40.5959   0.00783   7.54451   0.22549   3.22130   40.3543   0.24157   30.8561   1.0000000
 44  1    7.53000   0.07000   1400.00   30.0000   41.1077   0.00903   7.29092   0.23908   3.41548   40.8339   0.27383   30.3142   1.0000000
 45  1    7.29000   0.07000   1500.00   30.0000   41.5546   0.00903   7.12099   0.16901   2.41444   41.3480   0.20654   22.8648   1.0000000
 46  1    6.95000   0.07000   1600.00   30.0000   42.0779   0.01265   6.91604   0.03396   0.48517   42.0329   0.04500   3.55845   1.0000000
 47  1    6.71000   0.07000   1700.00   30.0000   42.7313   0.01084   6.64950   0.06050   0.86426   42.6441   0.08723   8.04722   1.0000000
 48  1    5.93000   0.07000   500.000   30.0000   40.5669   0.00783   5.97146   -0.0415   0.59234   40.6112   -0.0442   5.65033   1.0000000
 49  1    6.18000   0.07000   600.000   30.0000   40.5007   0.00783   6.23319   -0.0532   0.75987   40.5572   -0.0564   7.21007   1.0000000
 50  1    6.32000   0.07000   700.000   30.0000   40.4537   0.00783   6.47717   -0.1572   2.24531   40.6211   -0.1674   21.3773   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   40.3941   0.00843   6.73348   -0.2035   2.90681   40.6103   -0.2162   25.6428   1.0000000
 52  1    6.76000   0.07000   900.000   30.0000   40.3261   0.00783   6.99818   -0.2382   3.40261   40.5781   -0.2520   32.1932   1.0000000
 53  1    7.03000   0.07000   1000.00   30.0000   40.2990   0.00783   7.22377   -0.1938   2.76814   40.5031   -0.2042   26.0780   1.0000000
 54  1    7.38000   0.07000   1100.00   30.0000   40.1942   0.00783   7.52457   -0.1446   2.06532   40.3443   -0.1501   19.1724   1.0000000
 55  1    7.71000   0.07000   1200.00   30.0000   40.0653   0.00723   7.85010   -0.1401   2.00137   40.2086   -0.1433   19.8268   1.0000000
 56  1    8.04000   0.07000   1300.00   30.0000   39.9310   0.00662   8.18266   -0.1427   2.03804   40.0747   -0.1437   21.6938   1.0000000
 57  1    8.35000   0.07000   1400.00   30.0000   39.8870   0.00602   8.42564   -0.0756   1.08064   39.9626   -0.0756   12.5517   1.0000000
 58  1    8.73000   0.07000   1500.00   30.0000   39.8720   0.00602   8.63959   0.09041   1.29159   39.7826   0.08939   14.8435   1.0000000
 59  1    8.71000   0.07000   1600.00   30.0000   39.9226   0.00662   8.78781   -0.0778   1.11162   40.0011   -0.0785   11.8477   1.0000000
 60  1    8.71000   0.07000   1700.00   30.0000   40.0611   0.00662   8.85027   -0.1403   2.00392   40.2061   -0.1450   21.8948   1.0000000
 61  1    8.62000   0.07000   1800.00   30.0000   40.1803   0.00843   8.93428   -0.3143   4.48969   40.5153   -0.3350   39.7351   1.0000000
 62  1    7.32000   0.07000   600.000   30.0000   39.3908   0.00482   7.36168   -0.0417   0.59545   39.4291   -0.0383   7.94499   1.0000000
 63  1    7.52000   0.07000   700.000   30.0000   39.3685   0.00542   7.58300   -0.0630   0.90007   39.4264   -0.0579   10.6813   1.0000000
 64  1    7.78000   0.07000   800.000   30.0000   39.3324   0.00542   7.81969   -0.0397   0.56700   39.3687   -0.0363   6.70115   1.0000000
 65  1    8.03000   0.07000   900.000   30.0000   39.2921   0.00602   8.06116   -0.0312   0.44519   39.3205   -0.0284   4.71727   1.0000000
 66  1    8.26000   0.07000   1000.00   30.0000   39.2029   0.00602   8.35674   -0.0967   1.38202   39.2906   -0.0877   14.5610   1.0000000
 67  1    8.59000   0.07000   1100.00   30.0000   39.1108   0.00602   8.65653   -0.0665   0.95046   39.1704   -0.0596   9.89568   1.0000000
 68  1    8.95000   0.07000   1200.00   30.0000   38.9705   0.00602   9.01194   -0.0619   0.88491   39.0250   -0.0546   9.05954   1.0000000
 69  1    9.32000   0.07000   1300.00   30.0000   38.8494   0.00662   9.34744   -0.0274   0.39203   38.8732   -0.0238   3.58991   1.0000000
 70  1    9.66000   0.07000   1400.00   30.0000   38.7537   0.00662   9.65509   0.00491   0.07020   38.7495   0.00420   0.63460   1.0000000
 71  1    10.0200   0.07000   1500.00   30.0000   38.6736   0.00964   9.94527   0.07473   1.06752   38.6104   0.06313   6.55220   1.0000000
 72  1    10.3000   0.07000   1600.00   30.0000   38.5953   0.00723   10.2340   0.06602   0.94307   38.5400   0.05533   7.65624   1.0000000
 73  1    10.4700   0.07000   1700.00   30.0000   38.5574   0.00723   10.4751   -0.0051   0.07285   38.5616   -0.0043   0.59122   1.0000000
 74  1    10.6100   0.07000   1800.00   30.0000   38.5826   0.00903   10.6410   -0.0310   0.44230   38.6088   -0.0261   2.89442   1.0000000
 75  1    12.5300   0.07000   500.000   30.0000   35.5180   0.01265   12.7021   -0.1721   2.45818   35.6122   -0.0943   7.45384   1.0000000
 76  1    12.9200   0.07000   700.000   30.0000   35.5144   0.01204   13.0841   -0.1641   2.34473   35.6045   -0.0901   7.47909   1.0000000
 77  1    13.1700   0.07000   900.000   30.0000   35.5517   0.00783   13.3926   -0.2226   3.18071   35.6751   -0.1234   15.7674   1.0000000
 78  1    13.6100   0.07000   1100.00   30.0000   35.5668   0.00723   13.7427   -0.1327   1.89560   35.6404   -0.0737   10.1927   1.0000000
 79  1    13.4700   0.07000   1300.00   30.0000   35.9148   0.00843   13.5068   -0.0368   0.52595   35.9363   -0.0214   2.54147   1.0000000
 80  1    13.1400   0.07000   1400.00   30.0000   36.1876   0.00783   13.2366   -0.0966   1.37988   36.2463   -0.0586   7.48879   1.0000000
 81  1    12.9700   0.07000   1500.00   30.0000   36.4430   0.00964   13.0125   -0.0425   0.60772   36.4697   -0.0267   2.77330   1.0000000
 82  1    12.6200   0.07000   1600.00   30.0000   36.8585   0.00723   12.5604   0.05956   0.85088   36.8190   0.03950   5.46558   1.0000000
 83  1    12.2400   0.07000   1700.00   30.0000   37.1735   0.01024   12.2896   -0.0496   0.70806   37.2080   -0.0345   3.37440   1.0000000
 84  1    9.89000   0.07000   500.000   30.0000   37.1705   0.00482   9.98513   -0.0951   1.35893   37.2356   -0.0651   13.5209   1.0000000
 85  1    10.2500   0.07000   700.000   30.0000   37.1771   0.00542   10.3588   -0.1088   1.55427   37.2519   -0.0749   13.8133   1.0000000
 86  1    10.6100   0.07000   900.000   30.0000   37.2036   0.00662   10.7048   -0.0948   1.35382   37.2692   -0.0656   9.90536   1.0000000
 87  1    10.9600   0.07000   1100.00   30.0000   37.2102   0.00662   11.0803   -0.1203   1.71838   37.2939   -0.0837   12.6395   1.0000000
 88  1    11.3500   0.07000   1300.00   30.0000   37.1530   0.00723   11.5484   -0.1984   2.83413   37.2910   -0.1380   19.0915   1.0000000
 89  1    11.5900   0.07000   1400.00   30.0000   37.1102   0.00783   11.8032   -0.2132   3.04516   37.2579   -0.1477   18.8679   1.0000000
 90  1    11.7800   0.07000   1500.00   30.0000   37.0994   0.00843   12.0115   -0.2315   3.30712   37.2600   -0.1606   19.0468   1.0000000
 91  1    12.9500   0.07000   500.000   30.0000   35.5481   0.00783   12.6469   0.30315   4.33068   35.3843   0.16380   20.9227   1.0000000
 92  1    13.1200   0.07000   600.000   30.0000   35.4993   0.00843   12.9239   0.19615   2.80214   35.3935   0.10583   12.5531   1.0000000
 93  1    13.3300   0.07000   700.000   30.0000   35.4794   0.00783   13.1483   0.18168   2.59542   35.3815   0.09794   12.5105   1.0000000
 94  1    13.5600   0.07000   800.000   30.0000   35.4138   0.00843   13.4578   0.10221   1.46013   35.3590   0.05483   6.50367   1.0000000
 95  1    13.7700   0.07000   900.000   30.0000   35.3735   0.00843   13.7210   0.04901   0.70011   35.3472   0.02623   3.11157   1.0000000
 96  1    13.9800   0.07000   1000.00   30.0000   35.3542   0.00903   13.9451   0.03486   0.49804   35.3355   0.01864   2.06377   1.0000000
 97  1    14.2300   0.07000   1100.00   30.0000   35.3156   0.00964   14.2055   0.02453   0.35049   35.3026   0.01307   1.35637   1.0000000
 98  1    14.4700   0.07000   1200.00   30.0000   35.2518   0.01084   14.5138   -0.0438   0.62542   35.2750   -0.0232   2.14034   1.0000000
 99  1    14.7500   0.07000   1300.00   30.0000   35.2042   0.00964   14.7920   -0.0420   0.60000   35.2264   -0.0221   2.29782   1.0000000
100  1    15.0100   0.07000   1400.00   30.0000   35.1639   0.00964   15.0569   -0.0469   0.66940   35.1885   -0.0246   2.55279   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    15.2200   0.07000   1500.00   30.0000   35.1422   0.01024   15.2862   -0.0662   0.94637   35.1769   -0.0347   3.39340   1.0000000
102  1    15.3600   0.07000   1600.00   30.0000   35.1988   0.00903   15.3666   -0.0066   0.09394   35.2023   -0.0035   0.38429   1.0000000
103  1    15.3200   0.07000   1700.00   30.0000   35.3096   0.01024   15.3467   -0.0267   0.38157   35.3240   -0.0144   1.40252   1.0000000
104  1    15.1700   0.07000   1800.00   30.0000   35.5457   0.01084   15.1032   0.06678   0.95407   35.5087   0.03701   3.41462   1.0000000
105  1    20.3900   0.07000   800.000   30.0000   32.3780   0.00662   20.5050   -0.1150   1.64294   32.4182   -0.0402   6.06726   1.0000000
106  1    20.1500   0.07000   500.000   30.0000   32.3244   0.00482   20.1196   0.03043   0.43477   32.3140   0.01049   2.17668   1.0000000
107  1    20.2400   0.07000   600.000   30.0000   32.3275   0.00542   20.2903   -0.0503   0.71899   32.3448   -0.0174   3.20946   1.0000000
108  1    20.3700   0.07000   700.000   30.0000   32.3660   0.00542   20.3591   0.01088   0.15548   32.3622   0.00378   0.69749   1.0000000
109  1    20.4400   0.07000   800.000   30.0000   32.3913   0.00482   20.4670   -0.0270   0.38586   32.4007   -0.0094   1.95972   1.0000000
110  1    20.5200   0.07000   900.000   30.0000   32.4383   0.00542   20.5138   0.00618   0.08834   32.4361   0.00218   0.40189   1.0000000
111  1    20.4600   0.07000   1000.00   30.0000   32.5099   0.00482   20.4925   -0.0325   0.46370   32.5215   -0.0116   2.39997   1.0000000
112  1    20.2500   0.07000   1100.00   30.0000   32.5900   0.00542   20.4503   -0.2003   2.86135   32.6626   -0.0726   13.3960   1.0000000
113  1    20.0300   0.07000   1200.00   30.0000   32.7339   0.00662   20.2373   -0.2073   2.96105   32.8108   -0.0768   11.5984   1.0000000
114  1    19.7400   0.07000   1300.00   30.0000   32.9321   0.00542   19.8900   -0.1500   2.14329   32.9893   -0.0572   10.5595   1.0000000
115  1    19.3700   0.07000   1400.00   30.0000   33.1820   0.00542   19.4272   -0.0572   0.81697   33.2046   -0.0226   4.16737   1.0000000
116  1    19.0100   0.07000   1500.00   30.0000   33.5096   0.00662   18.8001   0.20990   2.99857   33.4232   0.08637   13.0386   1.0000000
117  1    18.5500   0.07000   1600.00   30.0000   33.8203   0.00602   18.2512   0.29885   4.26922   33.6920   0.12839   21.3199   1.0000000
118  1    18.0600   0.07000   1700.00   30.0000   34.1491   0.00602   17.6962   0.36378   5.19687   33.9855   0.16364   27.1723   1.0000000
119  1    17.4500   0.07000   1800.00   30.0000   34.4822   0.00903   17.1682   0.28177   4.02532   34.3488   0.13340   14.7677   1.0000000
120  1    14.8100   0.07000   500.000   30.0000   34.5821   0.00723   14.5386   0.27137   3.87670   34.4537   0.12842   17.7708   1.0000000
121  1    16.2300   0.07000   1300.00   30.0000   34.6068   0.00542   15.9762   0.25381   3.62584   34.4851   0.12172   22.4570   1.0000000

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 121 DATA:
      MAXIMUM DELTA-PRESSURE= 0.364


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      K0        Kp        Gamm0     q
    K0   :     100.0     -98.4     -49.0     -15.5
    Kp   :     -98.4     100.0      53.2      24.3
    Gamm0:     -49.0      53.2     100.0      88.7
    q    :     -15.5      24.3      88.7     100.0


  VARIANCE-COVARIANCE MATRIX NOT RESCALED
  VARIABLE     K0        Kp        Gamm0     q
    K0   :   0.01533  -0.00551  -0.00419  -0.00187
    Kp   :  -0.00551   0.00204   0.00166   0.00107
    Gamm0:  -0.00419   0.00166   0.00477   0.00596
    q    :  -0.00187   0.00107   0.00596   0.00947

 UPDATE EOS PARAMETERS (Y/N)?y
                                       FURTHER CALCULATIONS (Y/N)?n

EOSFIT-7.6>fit
     121 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:  51.1100           :Reference pressure volume: units are cm^3/mol
      K0:  13.44(12)         :Bulk modulus: units are GPa
      Kp:  5.04(5)           :dK/dP: dimensionless
     Kpp: -0.4474            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  118.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.27(7)           :Gruneisen parameter at Tref,Pref
       q:  1.44(10)          :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        51.11000  [NOT REFINED]
 K0      1        13.44061          0.00001          0.12380           0.00
 Kp      1         5.04076         -0.00000          0.04520          -0.00
 Kpp     0        -0.44736  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       118.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.27423         -0.00002          0.06909          -0.00
 q       1         1.44071         -0.00003          0.09729          -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        51.11000  [NOT REFINED]
 K0      1        13.44061          0.00001          0.12380           0.00
 Kp      1         5.04076         -0.00000          0.04520          -0.00
 Kpp     0        -0.44736  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       118.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.27423         -0.00002          0.06909          -0.00
 q       1         1.44071         -0.00003          0.09729          -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 121 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   49.3096   0.00259   0.52762   0.01238       INF   49.2717   0.03796   14.6606   1.0000000
  2  1    1.46000   0.03000   300.000   0.00000   46.9013   0.00283   1.43495   0.02505   0.83513   46.8437   0.05761   20.3538   1.0000000
  3  1    2.64000   0.04000   300.000   0.00000   44.5439   0.00337   2.61642   0.02358   0.58951   44.5031   0.04082   12.1056   1.0000000
  4  1    4.15000   0.06000   300.000   0.00000   42.2292   0.00313   4.15866   -0.0087   0.14427   42.2405   -0.0113   3.60820   1.0000000
  5  1    6.03000   0.06000   300.000   0.00000   40.1035   0.00379   6.02600   0.00400   0.06668   40.0995   0.00399   1.05172   1.0000000
  6  1    7.83000   0.06000   300.000   0.00000   38.4809   0.00289   7.83532   -0.0053   0.08861   38.4852   -0.0043   1.48464   1.0000000
  7  1    10.0100   0.03000   300.000   0.00000   36.9276   0.00379   9.96818   0.04182   1.39411   36.9002   0.02745   7.23636   1.0000000
  8  1    11.8400   0.06000   300.000   0.00000   35.8054   0.00301   11.8111   0.02894   0.48229   35.7890   0.01632   5.42103   1.0000000
  9  1    13.4900   0.06000   300.000   0.00000   34.9349   0.00337   13.4492   0.04080   0.68008   34.9145   0.02040   6.04827   1.0000000
 10  1    14.8600   0.03000   300.000   0.00000   34.2741   0.00295   14.8324   0.02762   0.92065   34.2615   0.01259   4.26735   1.0000000
 11  1    16.9700   0.06000   300.000   0.00000   33.3686   0.00343   16.9512   0.01884   0.31408   33.3611   0.00755   2.20039   1.0000000
 12  1    18.7100   0.08000   300.000   0.00000   32.7264   0.00319   18.6303   0.07966   0.99576   32.6974   0.02903   9.09412   1.0000000
 13  1    20.1900   0.00000   300.000   0.00000   32.1839   0.00349   20.1769   0.01310       INF   32.1795   0.00441   1.26361   1.0000000
 14  1    22.4900   0.03000   300.000   0.00000   31.4453   0.00313   22.4932   -0.0032   0.10668   31.4462  -0.00096   0.30759   1.0000000
 15  1    24.3400   0.03000   300.000   0.00000   30.9119   0.00331   24.3332   0.00678   0.22608   30.9100   0.00189   0.57010   1.0000000
 16  1    26.0500   0.02000   300.000   0.00000   30.4264   0.00373   26.1431   -0.0931   4.65536   30.4506   -0.0241   6.45603   1.0000000
 17  1    2.43000   0.07000   500.000   30.0000   45.7635   0.00662   2.38310   0.04690   0.66998   45.6688   0.09465   14.2888   1.0000000
 18  1    2.66000   0.07000   600.000   30.0000   45.7610   0.00662   2.59492   0.06508   0.92966   45.6295   0.13156   19.8597   1.0000000
 19  1    2.83000   0.07000   700.000   30.0000   45.8008   0.00783   2.78641   0.04359   0.62277   45.7116   0.08916   11.3893   1.0000000
 20  1    2.97000   0.07000   800.000   30.0000   45.9260   0.00783   2.93730   0.03270   0.46710   45.8578   0.06829   8.72352   1.0000000
 21  1    2.96000   0.07000   900.000   30.0000   46.4289   0.00843   2.91727   0.04273   0.61049   46.3337   0.09521   11.2934   1.0000000
 22  1    2.95000   0.07000   1000.00   30.0000   46.7710   0.01144   2.98102   -0.0310   0.44314   46.8441   -0.0732   6.39580   1.0000000
 23  1    2.92000   0.07000   1100.00   30.0000   47.4412   0.01445   2.92173   -0.0017   0.02469   47.4457   -0.0044   0.30669   1.0000000
 24  1    2.89000   0.07000   1200.00   30.0000   48.1416   0.01506   2.87614   0.01386   0.19800   48.1027   0.03888   2.58243   1.0000000
 25  1    5.03000   0.07000   500.000   30.0000   41.6485   0.00783   5.02162   0.00839   0.11979   41.6383   0.01023   1.30636   1.0000000
 26  1    5.28000   0.07000   600.000   30.0000   41.5859   0.00783   5.27476   0.00524   0.07488   41.5795   0.00636   0.81227   1.0000000
 27  1    5.40000   0.07000   700.000   30.0000   41.6690   0.00662   5.40879   -0.0088   0.12552   41.6798   -0.0108   1.63256   1.0000000
 28  1    5.48000   0.07000   800.000   30.0000   41.7882   0.00662   5.51515   -0.0351   0.50212   41.8324   -0.0441   6.66385   1.0000000
 29  1    5.54000   0.07000   900.000   30.0000   41.9797   0.00723   5.56718   -0.0272   0.38823   42.0148   -0.0350   4.85008   1.0000000
 30  1    5.56000   0.07000   1000.00   30.0000   42.2802   0.00843   5.54186   0.01814   0.25912   42.2560   0.02427   2.87901   1.0000000
 31  1    5.54000   0.07000   1100.00   30.0000   42.6319   0.00903   5.48992   0.05008   0.71547   42.5618   0.07010   7.75971   1.0000000
 32  1    5.49000   0.07000   1200.00   30.0000   43.0131   0.00843   5.43071   0.05929   0.84706   42.9259   0.08727   10.3505   1.0000000
 33  1    5.44000   0.07000   1300.00   30.0000   43.3998   0.00903   5.38212   0.05788   0.82681   43.3100   0.08974   9.93411   1.0000000
 34  1    5.44000   0.07000   1400.00   30.0000   43.8990   0.01024   5.27931   0.16069   2.29550   43.6356   0.26340   25.7287   1.0000000
 35  1    8.34000   0.07000   500.000   30.0000   38.4965   0.01265   8.20260   0.13740   1.96288   38.3856   0.11094   8.77231   1.0000000
 36  1    8.30000   0.07000   600.000   30.0000   38.7133   0.01024   8.13490   0.16510   2.35852   38.5761   0.13718   13.3996   1.0000000
 37  1    8.30000   0.07000   700.000   30.0000   38.8561   0.00843   8.16206   0.13794   1.97052   38.7389   0.11716   13.8969   1.0000000
 38  1    8.29000   0.07000   800.000   30.0000   39.0355   0.00723   8.15129   0.13871   1.98156   38.9147   0.12084   16.7219   1.0000000
 39  1    8.25000   0.07000   900.000   30.0000   39.2523   0.00662   8.10495   0.14505   2.07216   39.1221   0.13019   19.6535   1.0000000
 40  1    8.17000   0.07000   1000.00   30.0000   39.4932   0.00662   8.04073   0.12927   1.84675   39.3731   0.12008   18.1269   1.0000000
 41  1    8.10000   0.07000   1100.00   30.0000   39.7485   0.00602   7.97085   0.12915   1.84494   39.6243   0.12427   20.6351   1.0000000
 42  1    7.98000   0.07000   1200.00   30.0000   40.0773   0.00723   7.83822   0.14178   2.02537   39.9348   0.14256   19.7271   1.0000000
 43  1    7.77000   0.07000   1300.00   30.0000   40.5959   0.00783   7.54451   0.22549   3.22133   40.3543   0.24157   30.8561   1.0000000
 44  1    7.53000   0.07000   1400.00   30.0000   41.1077   0.00903   7.29091   0.23909   3.41551   40.8339   0.27384   30.3146   1.0000000
 45  1    7.29000   0.07000   1500.00   30.0000   41.5546   0.00903   7.12099   0.16901   2.41450   41.3480   0.20654   22.8648   1.0000000
 46  1    6.95000   0.07000   1600.00   30.0000   42.0779   0.01265   6.91603   0.03397   0.48524   42.0329   0.04500   3.55845   1.0000000
 47  1    6.71000   0.07000   1700.00   30.0000   42.7313   0.01084   6.64950   0.06050   0.86434   42.6441   0.08724   8.04792   1.0000000
 48  1    5.93000   0.07000   500.000   30.0000   40.5669   0.00783   5.97146   -0.0415   0.59234   40.6112   -0.0442   5.65033   1.0000000
 49  1    6.18000   0.07000   600.000   30.0000   40.5007   0.00783   6.23319   -0.0532   0.75987   40.5572   -0.0564   7.21056   1.0000000
 50  1    6.32000   0.07000   700.000   30.0000   40.4537   0.00783   6.47717   -0.1572   2.24531   40.6211   -0.1674   21.3773   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   40.3941   0.00843   6.73348   -0.2035   2.90680   40.6103   -0.2162   25.6428   1.0000000
 52  1    6.76000   0.07000   900.000   30.0000   40.3261   0.00783   6.99818   -0.2382   3.40259   40.5781   -0.2520   32.1922   1.0000000
 53  1    7.03000   0.07000   1000.00   30.0000   40.2990   0.00783   7.22377   -0.1938   2.76813   40.5031   -0.2042   26.0775   1.0000000
 54  1    7.38000   0.07000   1100.00   30.0000   40.1942   0.00783   7.52457   -0.1446   2.06531   40.3443   -0.1501   19.1720   1.0000000
 55  1    7.71000   0.07000   1200.00   30.0000   40.0653   0.00723   7.85009   -0.1401   2.00135   40.2086   -0.1433   19.8268   1.0000000
 56  1    8.04000   0.07000   1300.00   30.0000   39.9310   0.00662   8.18266   -0.1427   2.03803   40.0747   -0.1437   21.6932   1.0000000
 57  1    8.35000   0.07000   1400.00   30.0000   39.8870   0.00602   8.42564   -0.0756   1.08062   39.9626   -0.0756   12.5511   1.0000000
 58  1    8.73000   0.07000   1500.00   30.0000   39.8720   0.00602   8.63959   0.09041   1.29160   39.7826   0.08938   14.8423   1.0000000
 59  1    8.71000   0.07000   1600.00   30.0000   39.9226   0.00662   8.78781   -0.0778   1.11160   40.0011   -0.0785   11.8466   1.0000000
 60  1    8.71000   0.07000   1700.00   30.0000   40.0611   0.00662   8.85027   -0.1403   2.00390   40.2061   -0.1450   21.8936   1.0000000
 61  1    8.62000   0.07000   1800.00   30.0000   40.1803   0.00843   8.93428   -0.3143   4.48967   40.5153   -0.3350   39.7347   1.0000000
 62  1    7.32000   0.07000   600.000   30.0000   39.3908   0.00482   7.36168   -0.0417   0.59543   39.4291   -0.0383   7.94578   1.0000000
 63  1    7.52000   0.07000   700.000   30.0000   39.3685   0.00542   7.58301   -0.0630   0.90008   39.4264   -0.0579   10.6813   1.0000000
 64  1    7.78000   0.07000   800.000   30.0000   39.3324   0.00542   7.81969   -0.0397   0.56700   39.3687   -0.0363   6.70115   1.0000000
 65  1    8.03000   0.07000   900.000   30.0000   39.2921   0.00602   8.06116   -0.0312   0.44519   39.3205   -0.0284   4.71727   1.0000000
 66  1    8.26000   0.07000   1000.00   30.0000   39.2029   0.00602   8.35674   -0.0967   1.38202   39.2906   -0.0877   14.5610   1.0000000
 67  1    8.59000   0.07000   1100.00   30.0000   39.1108   0.00602   8.65653   -0.0665   0.95047   39.1704   -0.0596   9.89568   1.0000000
 68  1    8.95000   0.07000   1200.00   30.0000   38.9705   0.00602   9.01194   -0.0619   0.88493   39.0250   -0.0546   9.05954   1.0000000
 69  1    9.32000   0.07000   1300.00   30.0000   38.8494   0.00662   9.34744   -0.0274   0.39203   38.8732   -0.0238   3.58991   1.0000000
 70  1    9.66000   0.07000   1400.00   30.0000   38.7537   0.00662   9.65509   0.00491   0.07020   38.7495   0.00421   0.63517   1.0000000
 71  1    10.0200   0.07000   1500.00   30.0000   38.6736   0.00964   9.94527   0.07473   1.06752   38.6104   0.06314   6.55260   1.0000000
 72  1    10.3000   0.07000   1600.00   30.0000   38.5953   0.00723   10.2340   0.06601   0.94306   38.5400   0.05533   7.65624   1.0000000
 73  1    10.4700   0.07000   1700.00   30.0000   38.5574   0.00723   10.4751   -0.0051   0.07285   38.5616   -0.0043   0.59122   1.0000000
 74  1    10.6100   0.07000   1800.00   30.0000   38.5826   0.00903   10.6410   -0.0310   0.44230   38.6088   -0.0261   2.89442   1.0000000
 75  1    12.5300   0.07000   500.000   30.0000   35.5180   0.01265   12.7021   -0.1721   2.45818   35.6122   -0.0943   7.45354   1.0000000
 76  1    12.9200   0.07000   700.000   30.0000   35.5144   0.01204   13.0841   -0.1641   2.34474   35.6044   -0.0901   7.47877   1.0000000
 77  1    13.1700   0.07000   900.000   30.0000   35.5517   0.00783   13.3927   -0.2227   3.18074   35.6752   -0.1234   15.7679   1.0000000
 78  1    13.6100   0.07000   1100.00   30.0000   35.5668   0.00723   13.7427   -0.1327   1.89563   35.6404   -0.0737   10.1932   1.0000000
 79  1    13.4700   0.07000   1300.00   30.0000   35.9148   0.00843   13.5068   -0.0368   0.52597   35.9363   -0.0214   2.54193   1.0000000
 80  1    13.1400   0.07000   1400.00   30.0000   36.1876   0.00783   13.2366   -0.0966   1.37991   36.2463   -0.0586   7.48830   1.0000000
 81  1    12.9700   0.07000   1500.00   30.0000   36.4430   0.00964   13.0125   -0.0425   0.60776   36.4697   -0.0267   2.77330   1.0000000
 82  1    12.6200   0.07000   1600.00   30.0000   36.8585   0.00723   12.5604   0.05956   0.85085   36.8190   0.03950   5.46611   1.0000000
 83  1    12.2400   0.07000   1700.00   30.0000   37.1735   0.01024   12.2896   -0.0496   0.70810   37.2080   -0.0345   3.37477   1.0000000
 84  1    9.89000   0.07000   500.000   30.0000   37.1705   0.00482   9.98513   -0.0951   1.35893   37.2356   -0.0651   13.5201   1.0000000
 85  1    10.2500   0.07000   700.000   30.0000   37.1771   0.00542   10.3588   -0.1088   1.55426   37.2519   -0.0749   13.8133   1.0000000
 86  1    10.6100   0.07000   900.000   30.0000   37.2036   0.00662   10.7048   -0.0948   1.35384   37.2692   -0.0656   9.90536   1.0000000
 87  1    10.9600   0.07000   1100.00   30.0000   37.2102   0.00662   11.0803   -0.1203   1.71838   37.2939   -0.0837   12.6395   1.0000000
 88  1    11.3500   0.07000   1300.00   30.0000   37.1530   0.00723   11.5484   -0.1984   2.83417   37.2910   -0.1380   19.0926   1.0000000
 89  1    11.5900   0.07000   1400.00   30.0000   37.1102   0.00783   11.8032   -0.2132   3.04519   37.2579   -0.1477   18.8679   1.0000000
 90  1    11.7800   0.07000   1500.00   30.0000   37.0994   0.00843   12.0115   -0.2315   3.30718   37.2600   -0.1606   19.0468   1.0000000
 91  1    12.9500   0.07000   500.000   30.0000   35.5481   0.00783   12.6468   0.30315   4.33070   35.3843   0.16381   20.9237   1.0000000
 92  1    13.1200   0.07000   600.000   30.0000   35.4993   0.00843   12.9239   0.19615   2.80214   35.3935   0.10583   12.5531   1.0000000
 93  1    13.3300   0.07000   700.000   30.0000   35.4794   0.00783   13.1483   0.18168   2.59544   35.3815   0.09794   12.5101   1.0000000
 94  1    13.5600   0.07000   800.000   30.0000   35.4138   0.00843   13.4578   0.10221   1.46012   35.3590   0.05483   6.50367   1.0000000
 95  1    13.7700   0.07000   900.000   30.0000   35.3735   0.00843   13.7210   0.04901   0.70009   35.3472   0.02623   3.11157   1.0000000
 96  1    13.9800   0.07000   1000.00   30.0000   35.3542   0.00903   13.9451   0.03486   0.49802   35.3355   0.01864   2.06377   1.0000000
 97  1    14.2300   0.07000   1100.00   30.0000   35.3156   0.00964   14.2055   0.02453   0.35049   35.3026   0.01307   1.35597   1.0000000
 98  1    14.4700   0.07000   1200.00   30.0000   35.2518   0.01084   14.5138   -0.0438   0.62545   35.2750   -0.0232   2.14069   1.0000000
 99  1    14.7500   0.07000   1300.00   30.0000   35.2042   0.00964   14.7920   -0.0420   0.60004   35.2264   -0.0221   2.29743   1.0000000
100  1    15.0100   0.07000   1400.00   30.0000   35.1639   0.00964   15.0569   -0.0469   0.66944   35.1885   -0.0246   2.55279   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    15.2200   0.07000   1500.00   30.0000   35.1422   0.01024   15.2863   -0.0662   0.94643   35.1769   -0.0347   3.39340   1.0000000
102  1    15.3600   0.07000   1600.00   30.0000   35.1988   0.00903   15.3666   -0.0066   0.09399   35.2023   -0.0035   0.38471   1.0000000
103  1    15.3200   0.07000   1700.00   30.0000   35.3096   0.01024   15.3467   -0.0267   0.38162   35.3240   -0.0144   1.40252   1.0000000
104  1    15.1700   0.07000   1800.00   30.0000   35.5457   0.01084   15.1032   0.06678   0.95400   35.5087   0.03701   3.41462   1.0000000
105  1    20.3900   0.07000   800.000   30.0000   32.3780   0.00662   20.5050   -0.1150   1.64294   32.4182   -0.0402   6.06668   1.0000000
106  1    20.1500   0.07000   500.000   30.0000   32.3244   0.00482   20.1196   0.03044   0.43482   32.3140   0.01049   2.17747   1.0000000
107  1    20.2400   0.07000   600.000   30.0000   32.3275   0.00542   20.2903   -0.0503   0.71891   32.3448   -0.0174   3.20875   1.0000000
108  1    20.3700   0.07000   700.000   30.0000   32.3660   0.00542   20.3591   0.01089   0.15553   32.3622   0.00378   0.69749   1.0000000
109  1    20.4400   0.07000   800.000   30.0000   32.3913   0.00482   20.4670   -0.0270   0.38583   32.4007   -0.0094   1.95972   1.0000000
110  1    20.5200   0.07000   900.000   30.0000   32.4383   0.00542   20.5138   0.00619   0.08836   32.4361   0.00218   0.40189   1.0000000
111  1    20.4600   0.07000   1000.00   30.0000   32.5099   0.00482   20.4925   -0.0325   0.46370   32.5215   -0.0116   2.40076   1.0000000
112  1    20.2500   0.07000   1100.00   30.0000   32.5900   0.00542   20.4503   -0.2003   2.86138   32.6626   -0.0726   13.3953   1.0000000
113  1    20.0300   0.07000   1200.00   30.0000   32.7339   0.00662   20.2373   -0.2073   2.96108   32.8108   -0.0768   11.5990   1.0000000
114  1    19.7400   0.07000   1300.00   30.0000   32.9321   0.00542   19.8900   -0.1500   2.14331   32.9893   -0.0572   10.5588   1.0000000
115  1    19.3700   0.07000   1400.00   30.0000   33.1820   0.00542   19.4272   -0.0572   0.81705   33.2046   -0.0226   4.16877   1.0000000
116  1    19.0100   0.07000   1500.00   30.0000   33.5096   0.00662   18.8001   0.20990   2.99852   33.4232   0.08637   13.0380   1.0000000
117  1    18.5500   0.07000   1600.00   30.0000   33.8203   0.00602   18.2512   0.29884   4.26914   33.6920   0.12839   21.3192   1.0000000
118  1    18.0600   0.07000   1700.00   30.0000   34.1491   0.00602   17.6962   0.36378   5.19679   33.9855   0.16363   27.1716   1.0000000
119  1    17.4500   0.07000   1800.00   30.0000   34.4822   0.00903   17.1682   0.28177   4.02524   34.3488   0.13340   14.7677   1.0000000
120  1    14.8100   0.07000   500.000   30.0000   34.5821   0.00723   14.5386   0.27137   3.87673   34.4537   0.12843   17.7713   1.0000000
121  1    16.2300   0.07000   1300.00   30.0000   34.6068   0.00542   15.9762   0.25381   3.62580   34.4851   0.12172   22.4570   1.0000000

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 121 DATA:
      MAXIMUM DELTA-PRESSURE= 0.364


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      K0        Kp        Gamm0     q
    K0   :     100.0     -98.4     -49.0     -15.5
    Kp   :     -98.4     100.0      53.2      24.3
    Gamm0:     -49.0      53.2     100.0      88.7
    q    :     -15.5      24.3      88.7     100.0


  VARIANCE-COVARIANCE MATRIX NOT RESCALED
  VARIABLE     K0        Kp        Gamm0     q
    K0   :   0.01533  -0.00551  -0.00419  -0.00187
    Kp   :  -0.00551   0.00204   0.00166   0.00107
    Gamm0:  -0.00419   0.00166   0.00477   0.00596
    q    :  -0.00187   0.00107   0.00596   0.00947

 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/rbi/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:  51.1100           :Reference pressure volume: units are cm^3/mol
      K0:  13.44(12)         :Bulk modulus: units are GPa
      Kp:  5.04(5)           :dK/dP: dimensionless
     Kpp: -0.4474            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  118.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.27(7)           :Gruneisen parameter at Tref,Pref
       q:  1.44(10)          :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

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


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


EOSFIT-7.6>
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EOSFIT-7.6>