***********************************************************************************************************************
*                                                                                                                     *
*                                                     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/weighted_legacy_na_precise_theta/run.mcr

***** Running macro

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


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


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


Successfully opened data file
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbi/weighted_legacy_na_precise_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   46.9012   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   35.8053   0.00301
  9  1    13.4900   0.06000   300.000   0.00000   34.9348   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   31.4452   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   45.7634   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   46.7709   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   43.3997   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   38.8560   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   40.5958   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   41.5545   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   40.3260   0.00783
 53  1    7.03000   0.07000   1000.00   30.0000   40.2989   0.00783
 54  1    7.38000   0.07000   1100.00   30.0000   40.1941   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   39.2920   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   38.5573   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   35.5143   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   35.5667   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   37.1734   0.01024
 84  1    9.89000   0.07000   500.000   30.0000   37.1704   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   35.3734   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   32.3274   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   32.4382   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):117.98
    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:  117.980           :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:  117.980           :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:  117.980           :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/weighted_legacy_na_precise_theta/initial.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  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:  117.980           :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/weighted_legacy_na_precise_theta/initial.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbi/weighted_legacy_na_precise_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   0.53655   0.00345       INF   49.2992   0.01044   4.03196
  2  1    1.46000   0.03000   300.000   0.00000   46.9012   0.00283   1.45598   0.00402   0.13411   46.8921   0.00918   3.24270
  3  1    2.64000   0.04000   300.000   0.00000   44.5439   0.00337   2.64878   -0.0088   0.21953   44.5590   -0.0151   4.48615
  4  1    4.15000   0.06000   300.000   0.00000   42.2292   0.00313   4.20046   -0.0505   0.84101   42.2950   -0.0658   21.0194
  5  1    6.03000   0.06000   300.000   0.00000   40.1035   0.00379   6.07334   -0.0433   0.72238   40.1468   -0.0433   11.4121
  6  1    7.83000   0.06000   300.000   0.00000   38.4809   0.00289   7.88340   -0.0534   0.88997   38.5242   -0.0433   14.9876
  7  1    10.0100   0.03000   300.000   0.00000   36.9276   0.00379   10.0125   -0.0025   0.08408   36.9293   -0.0017   0.43738
  8  1    11.8400   0.06000   300.000   0.00000   35.8053   0.00301   11.8489   -0.0089   0.14801   35.8104   -0.0050   1.67356
  9  1    13.4900   0.06000   300.000   0.00000   34.9348   0.00337   13.4791   0.01095   0.18242   34.9293   0.00550   1.63112
 10  1    14.8600   0.03000   300.000   0.00000   34.2741   0.00295   14.8541   0.00587   0.19566   34.2714   0.00269   0.91268
 11  1    16.9700   0.06000   300.000   0.00000   33.3686   0.00343   16.9582   0.01175   0.19592   33.3638   0.00475   1.38358
 12  1    18.7100   0.08000   300.000   0.00000   32.7264   0.00319   18.6241   0.08589   1.07362   32.6948   0.03156   9.88653
 13  1    20.1900   0.00000   300.000   0.00000   32.1839   0.00349   20.1572   0.03281       INF   32.1728   0.01115   3.19235
 14  1    22.4900   0.03000   300.000   0.00000   31.4452   0.00313   22.4513   0.03867   1.28892   31.4335   0.01178   3.76048
 15  1    24.3400   0.03000   300.000   0.00000   30.9119   0.00331   24.2722   0.06778   2.25938   30.8928   0.01905   5.75054
 16  1    26.0500   0.02000   300.000   0.00000   30.4264   0.00373   26.0621   -0.0121   0.60425   30.4296   -0.0032   0.84442
 17  1    2.43000   0.07000   500.000   30.0000   45.7634   0.00662   2.39884   0.03116   0.44508   45.7011   0.06235   9.41185
 18  1    2.66000   0.07000   600.000   30.0000   45.7610   0.00662   2.60520   0.05480   0.78279   45.6513   0.10975   16.5681
 19  1    2.83000   0.07000   700.000   30.0000   45.8008   0.00783   2.79100   0.03900   0.55719   45.7218   0.07895   10.0849
 20  1    2.97000   0.07000   800.000   30.0000   45.9260   0.00783   2.93570   0.03430   0.49004   45.8552   0.07080   9.04414
 21  1    2.96000   0.07000   900.000   30.0000   46.4289   0.00843   2.90724   0.05276   0.75376   46.3130   0.11592   13.7489
 22  1    2.95000   0.07000   1000.00   30.0000   46.7709   0.01144   2.96336   -0.0134   0.19080   46.8019   -0.0310   2.70815
 23  1    2.92000   0.07000   1100.00   30.0000   47.4412   0.01445   2.89428   0.02572   0.36743   47.3765   0.06466   4.47398
 24  1    2.89000   0.07000   1200.00   30.0000   48.1416   0.01506   2.83851   0.05149   0.73563   48.0005   0.14104   9.36816
 25  1    5.03000   0.07000   500.000   30.0000   41.6485   0.00783   5.05572   -0.0257   0.36747   41.6798   -0.0313   4.00143
 26  1    5.28000   0.07000   600.000   30.0000   41.5859   0.00783   5.30425   -0.0242   0.34639   41.6152   -0.0294   3.75195
 27  1    5.40000   0.07000   700.000   30.0000   41.6690   0.00662   5.43312   -0.0331   0.47312   41.7096   -0.0407   6.13867
 28  1    5.48000   0.07000   800.000   30.0000   41.7882   0.00662   5.53415   -0.0542   0.77361   41.8560   -0.0678   10.2302
 29  1    5.54000   0.07000   900.000   30.0000   41.9797   0.00723   5.58048   -0.0405   0.57834   42.0317   -0.0520   7.19225
 30  1    5.56000   0.07000   1000.00   30.0000   42.2802   0.00843   5.54889   0.01111   0.15872   42.2654   0.01478   1.75329
 31  1    5.54000   0.07000   1100.00   30.0000   42.6319   0.00903   5.49027   0.04973   0.71038   42.5628   0.06912   7.65203
 32  1    5.49000   0.07000   1200.00   30.0000   43.0131   0.00843   5.42405   0.06595   0.94213   42.9169   0.09626   11.4170
 33  1    5.44000   0.07000   1300.00   30.0000   43.3997   0.00903   5.36824   0.07176   1.02514   43.2896   0.11017   12.1959
 34  1    5.44000   0.07000   1400.00   30.0000   43.8990   0.01024   5.25734   0.18266   2.60940   43.6031   0.29592   28.9049
 35  1    8.34000   0.07000   500.000   30.0000   38.4965   0.01265   8.24212   0.09788   1.39829   38.4173   0.07922   6.26448
 36  1    8.30000   0.07000   600.000   30.0000   38.7133   0.01024   8.17010   0.12990   1.85565   38.6052   0.10814   10.5629
 37  1    8.30000   0.07000   700.000   30.0000   38.8560   0.00843   8.19281   0.10719   1.53133   38.7649   0.09118   10.8143
 38  1    8.29000   0.07000   800.000   30.0000   39.0355   0.00723   8.17746   0.11254   1.60766   38.9374   0.09811   13.5769
 39  1    8.25000   0.07000   900.000   30.0000   39.2523   0.00662   8.12640   0.12360   1.76577   39.1413   0.11095   16.7495
 40  1    8.17000   0.07000   1000.00   30.0000   39.4932   0.00662   8.05725   0.11275   1.61070   39.3885   0.10466   15.7993
 41  1    8.10000   0.07000   1100.00   30.0000   39.7485   0.00602   7.98226   0.11774   1.68200   39.6354   0.11312   18.7848
 42  1    7.98000   0.07000   1200.00   30.0000   40.0773   0.00723   7.84414   0.13586   1.94084   39.9411   0.13626   18.8561
 43  1    7.77000   0.07000   1300.00   30.0000   40.5958   0.00783   7.54404   0.22596   3.22805   40.3547   0.24116   30.8045
 44  1    7.53000   0.07000   1400.00   30.0000   41.1077   0.00903   7.28363   0.24637   3.51951   40.8270   0.28071   31.0752
 45  1    7.29000   0.07000   1500.00   30.0000   41.5545   0.00903   7.10684   0.18316   2.61657   41.3322   0.22233   24.6123
 46  1    6.95000   0.07000   1600.00   30.0000   42.0779   0.01265   6.89431   0.05569   0.79562   42.0047   0.07314   5.78366
 47  1    6.71000   0.07000   1700.00   30.0000   42.7313   0.01084   6.61908   0.09092   1.29880   42.6016   0.12963   11.9591
 48  1    5.93000   0.07000   500.000   30.0000   40.5669   0.00783   6.00872   -0.0787   1.12460   40.6509   -0.0840   10.7267
 49  1    6.18000   0.07000   600.000   30.0000   40.5007   0.00783   6.26596   -0.0860   1.22795   40.5918   -0.0912   11.6457
 50  1    6.32000   0.07000   700.000   30.0000   40.4537   0.00783   6.50537   -0.1854   2.64810   40.6509   -0.1972   25.1873
<-------------------------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   6.75715   -0.2271   3.24495   40.6351   -0.2410   28.5865
 52  1    6.76000   0.07000   900.000   30.0000   40.3260   0.00783   7.01736   -0.2574   3.67662   40.5979   -0.2718   34.7221
 53  1    7.03000   0.07000   1000.00   30.0000   40.2989   0.00783   7.23835   -0.2084   2.97649   40.5180   -0.2190   27.9793
 54  1    7.38000   0.07000   1100.00   30.0000   40.1941   0.00783   7.53480   -0.1548   2.21147   40.3545   -0.1603   20.4783
 55  1    7.71000   0.07000   1200.00   30.0000   40.0653   0.00723   7.85606   -0.1461   2.08650   40.2142   -0.1490   20.6150
 56  1    8.04000   0.07000   1300.00   30.0000   39.9310   0.00662   8.18437   -0.1444   2.06251   40.0760   -0.1450   21.8902
 57  1    8.35000   0.07000   1400.00   30.0000   39.8870   0.00602   8.42287   -0.0729   1.04096   39.9596   -0.0726   12.0513
 58  1    8.73000   0.07000   1500.00   30.0000   39.8720   0.00602   8.63224   0.09776   1.39653   39.7757   0.09631   15.9932
 59  1    8.71000   0.07000   1600.00   30.0000   39.9226   0.00662   8.77568   -0.0657   0.93832   39.9885   -0.0660   9.95950
 60  1    8.71000   0.07000   1700.00   30.0000   40.0611   0.00662   8.83303   -0.1230   1.75751   40.1876   -0.1266   19.1053
 61  1    8.62000   0.07000   1800.00   30.0000   40.1803   0.00843   8.91192   -0.2919   4.17028   40.4896   -0.3093   36.6838
 62  1    7.32000   0.07000   600.000   30.0000   39.3908   0.00482   7.39646   -0.0765   1.09234   39.4611   -0.0703   14.5906
 63  1    7.52000   0.07000   700.000   30.0000   39.3685   0.00542   7.61331   -0.0933   1.33299   39.4543   -0.0858   15.8291
 64  1    7.78000   0.07000   800.000   30.0000   39.3324   0.00542   7.84553   -0.0655   0.93614   39.3924   -0.0600   11.0670
 65  1    8.03000   0.07000   900.000   30.0000   39.2920   0.00602   8.08254   -0.0525   0.75058   39.3399   -0.0479   7.95291
 66  1    8.26000   0.07000   1000.00   30.0000   39.2029   0.00602   8.37375   -0.1138   1.62501   39.3060   -0.1031   17.1151
 67  1    8.59000   0.07000   1100.00   30.0000   39.1108   0.00602   8.66917   -0.0792   1.13107   39.1816   -0.0709   11.7682
 68  1    8.95000   0.07000   1200.00   30.0000   38.9705   0.00602   9.02032   -0.0703   1.00452   39.0323   -0.0619   10.2751
 69  1    9.32000   0.07000   1300.00   30.0000   38.8494   0.00662   9.35151   -0.0315   0.45015   38.8767   -0.0273   4.11913
 70  1    9.66000   0.07000   1400.00   30.0000   38.7537   0.00662   9.65485   0.00516   0.07365   38.7492   0.00441   0.66569
 71  1    10.0200   0.07000   1500.00   30.0000   38.6736   0.00964   9.94071   0.07929   1.13272   38.6066   0.06691   6.94375
 72  1    10.3000   0.07000   1600.00   30.0000   38.5953   0.00723   10.2251   0.07490   1.06994   38.5326   0.06266   8.67134
 73  1    10.4700   0.07000   1700.00   30.0000   38.5573   0.00723   10.4618   0.00815   0.11646   38.5505   0.00682   0.94436
 74  1    10.6100   0.07000   1800.00   30.0000   38.5826   0.00903   10.6233   -0.0133   0.18939   38.5938   -0.0112   1.23606
 75  1    12.5300   0.07000   500.000   30.0000   35.5180   0.01265   12.7300   -0.2000   2.85714   35.6281   -0.1102   8.71139
 76  1    12.9200   0.07000   700.000   30.0000   35.5143   0.01204   13.1043   -0.1843   2.63255   35.6160   -0.1016   8.43940
 77  1    13.1700   0.07000   900.000   30.0000   35.5517   0.00783   13.4053   -0.2353   3.36079   35.6827   -0.1310   16.7366
 78  1    13.6100   0.07000   1100.00   30.0000   35.5667   0.00723   13.7476   -0.1376   1.96513   35.6434   -0.0767   10.6102
 79  1    13.4700   0.07000   1300.00   30.0000   35.9148   0.00843   13.5059   -0.0359   0.51329   35.9358   -0.0210   2.48899
 80  1    13.1400   0.07000   1400.00   30.0000   36.1876   0.00783   13.2331   -0.0931   1.32979   36.2443   -0.0566   7.23395
 81  1    12.9700   0.07000   1500.00   30.0000   36.4430   0.00964   13.0060   -0.0360   0.51414   36.4656   -0.0226   2.35048
 82  1    12.6200   0.07000   1600.00   30.0000   36.8585   0.00723   12.5510   0.06900   0.98575   36.8127   0.04580   6.33815
 83  1    12.2400   0.07000   1700.00   30.0000   37.1734   0.01024   12.2765   -0.0365   0.52210   37.1989   -0.0255   2.48832
 84  1    9.89000   0.07000   500.000   30.0000   37.1704   0.00482   10.0223   -0.1323   1.88958   37.2614   -0.0909   18.8751
 85  1    10.2500   0.07000   700.000   30.0000   37.1771   0.00542   10.3877   -0.1377   1.96690   37.2721   -0.0950   17.5366
 86  1    10.6100   0.07000   900.000   30.0000   37.2036   0.00662   10.7254   -0.1154   1.64800   37.2836   -0.0801   12.0902
 87  1    10.9600   0.07000   1100.00   30.0000   37.2102   0.00662   11.0925   -0.1325   1.89303   37.3026   -0.0924   13.9525
 88  1    11.3500   0.07000   1300.00   30.0000   37.1530   0.00723   11.5521   -0.2021   2.88729   37.2937   -0.1408   19.4790
 89  1    11.5900   0.07000   1400.00   30.0000   37.1102   0.00783   11.8026   -0.2126   3.03715   37.2577   -0.1475   18.8411
 90  1    11.7800   0.07000   1500.00   30.0000   37.0994   0.00843   12.0067   -0.2267   3.23917   37.2568   -0.1574   18.6726
 91  1    12.9500   0.07000   500.000   30.0000   35.5481   0.00783   12.6750   0.27496   3.92794   35.3987   0.14940   19.0838
 92  1    13.1200   0.07000   600.000   30.0000   35.4993   0.00843   12.9478   0.17222   2.46022   35.4059   0.09343   11.0817
 93  1    13.3300   0.07000   700.000   30.0000   35.4794   0.00783   13.1682   0.16181   2.31162   35.3917   0.08769   11.2008
 94  1    13.5600   0.07000   800.000   30.0000   35.4138   0.00843   13.4732   0.08677   1.23961   35.3670   0.04678   5.54853
 95  1    13.7700   0.07000   900.000   30.0000   35.3734   0.00843   13.7322   0.03779   0.53982   35.3531   0.02032   2.41071
 96  1    13.9800   0.07000   1000.00   30.0000   35.3542   0.00903   13.9523   0.02770   0.39573   35.3393   0.01488   1.64780
 97  1    14.2300   0.07000   1100.00   30.0000   35.3156   0.00964   14.2084   0.02159   0.30840   35.3041   0.01155   1.19840
 98  1    14.4700   0.07000   1200.00   30.0000   35.2518   0.01084   14.5123   -0.0423   0.60479   35.2743   -0.0225   2.07876
 99  1    14.7500   0.07000   1300.00   30.0000   35.2042   0.00964   14.7863   -0.0363   0.51821   35.2234   -0.0192   1.99258
100  1    15.0100   0.07000   1400.00   30.0000   35.1639   0.00964   15.0469   -0.0369   0.52755   35.1833   -0.0195   2.01950
<-------------------------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   15.2723   -0.0523   0.74669   35.1697   -0.0275   2.68656
102  1    15.3600   0.07000   1600.00   30.0000   35.1988   0.00903   15.3491   0.01086   0.15515   35.1930   0.00576   0.63725
103  1    15.3200   0.07000   1700.00   30.0000   35.3096   0.01024   15.3262   -0.0062   0.08845   35.3129   -0.0033   0.32678
104  1    15.1700   0.07000   1800.00   30.0000   35.5457   0.01084   15.0803   0.08967   1.28095   35.4958   0.04983   4.59671
105  1    20.3900   0.07000   800.000   30.0000   32.3780   0.00662   20.4738   -0.0838   1.19651   32.4075   -0.0295   4.45370
106  1    20.1500   0.07000   500.000   30.0000   32.3244   0.00482   20.0971   0.05291   0.75586   32.3060   0.01838   3.81493
107  1    20.2400   0.07000   600.000   30.0000   32.3274   0.00542   20.2646   -0.0246   0.35106   32.3360   -0.0086   1.58080
108  1    20.3700   0.07000   700.000   30.0000   32.3660   0.00542   20.3310   0.03902   0.55749   32.3523   0.01366   2.52041
109  1    20.4400   0.07000   800.000   30.0000   32.3913   0.00482   20.4361   0.00392   0.05594   32.3899   0.00138   0.28584
110  1    20.5200   0.07000   900.000   30.0000   32.4382   0.00542   20.4806   0.03937   0.56248   32.4243   0.01396   2.57531
111  1    20.4600   0.07000   1000.00   30.0000   32.5099   0.00482   20.4575   0.00248   0.03548   32.5090   0.00089   0.18449
112  1    20.2500   0.07000   1100.00   30.0000   32.5900   0.00542   20.4137   -0.1637   2.33904   32.6498   -0.0598   11.0283
113  1    20.0300   0.07000   1200.00   30.0000   32.7339   0.00662   20.2004   -0.1704   2.43424   32.7975   -0.0636   9.60131
114  1    19.7400   0.07000   1300.00   30.0000   32.9321   0.00542   19.8537   -0.1137   1.62479   32.9757   -0.0437   8.05673
115  1    19.3700   0.07000   1400.00   30.0000   33.1820   0.00542   19.3921   -0.0221   0.31537   33.1907   -0.0088   1.61881
116  1    19.0100   0.07000   1500.00   30.0000   33.5096   0.00662   18.7670   0.24304   3.47200   33.4090   0.10057   15.1825
117  1    18.5500   0.07000   1600.00   30.0000   33.8203   0.00602   18.2190   0.33099   4.72845   33.6774   0.14293   23.7339
118  1    18.0600   0.07000   1700.00   30.0000   34.1491   0.00602   17.6647   0.39532   5.64744   33.9705   0.17864   29.6643
119  1    17.4500   0.07000   1800.00   30.0000   34.4822   0.00903   17.1367   0.31333   4.47614   34.3332   0.14893   16.4865
120  1    14.8100   0.07000   500.000   30.0000   34.5821   0.00723   14.5572   0.25284   3.61204   34.4617   0.12043   16.6654
121  1    16.2300   0.07000   1300.00   30.0000   34.6068   0.00542   15.9649   0.26511   3.78734   34.4791   0.12776   23.5719

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:  117.980           :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)?y
     SIGMAS FOR T   PRESENT, USE IN WEIGHTS (Y/N)?y
     SIGMAS FOR V   PRESENT, USE IN WEIGHTS (Y/N)?y

     EQUATION FITTED WITH WEIGHTS DERIVED FROM sigma(P), sigma(T), sigma(V),

*****WARNING:     P    T  has some esds=0: This may make weights and LS results invalid





   RESULTS FROM CYCLE  1
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        51.11000  [NOT REFINED]
 K0      1        13.75511          0.06511          0.03350           1.94
 Kp      1         4.93380         -0.01620          0.01153          -1.41
 Kpp     0        -0.41400  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       117.98000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.19259         -0.01741          0.06346          -0.27
 q       1         1.41790         -0.00210          0.09397          -0.02
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.33 (AND ESD'S RESCALED BY W-CHI^2)


   RESULTS FROM CYCLE  2
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        51.11000  [NOT REFINED]
 K0      1        13.75481         -0.00030          0.03245          -0.01
 Kp      1         4.93398          0.00017          0.01107           0.02
 Kpp     0        -0.41405  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       117.98000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.19269          0.00010          0.06105           0.00
 q       1         1.41794          0.00003          0.09112           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.17 (AND ESD'S RESCALED BY W-CHI^2)


   RESULTS FROM CYCLE  3
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        51.11000  [NOT REFINED]
 K0      1        13.75482          0.00000          0.03245           0.00
 Kp      1         4.93398         -0.00000          0.01107          -0.00
 Kpp     0        -0.41405  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       117.98000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.19268         -0.00001          0.06105          -0.00
 q       1         1.41793         -0.00001          0.09112          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.17 (AND ESD'S RESCALED BY W-CHI^2)


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



   RESULTS AFTER FINAL REFINEMENT CYCLE
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        51.11000  [NOT REFINED]
 K0      1        13.75482          0.00000          0.03245           0.00
 Kp      1         4.93398         -0.00000          0.01107          -0.00
 Kpp     0        -0.41405  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       117.98000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.19268         -0.00001          0.06105          -0.00
 q       1         1.41793         -0.00001          0.09112          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.17 (AND ESD'S RESCALED BY W-CHI^2)

 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   0.53893   0.00107       INF   49.3064   0.00321   1.23890   1352908.2
  2  1    1.46000   0.03000   300.000   0.00000   46.9012   0.00283   1.46188   -0.0019   0.06251   46.9055   -0.0043   1.50679   1109.1921
  3  1    2.64000   0.04000   300.000   0.00000   44.5439   0.00337   2.65845   -0.0184   0.46121   44.5756   -0.0317   9.41346   623.49817
  4  1    4.15000   0.06000   300.000   0.00000   42.2292   0.00313   4.21407   -0.0641   1.06788   42.3127   -0.0835   26.6559   277.32864
  5  1    6.03000   0.06000   300.000   0.00000   40.1035   0.00379   6.09066   -0.0607   1.01099   40.1641   -0.0606   15.9598   276.66342
  6  1    7.83000   0.06000   300.000   0.00000   38.4809   0.00289   7.90346   -0.0735   1.22429   38.5404   -0.0596   20.6107   276.79184
  7  1    10.0100   0.03000   300.000   0.00000   36.9276   0.00379   10.0350   -0.0250   0.83256   36.9441   -0.0165   4.34363   1071.6050
  8  1    11.8400   0.06000   300.000   0.00000   35.8053   0.00301   11.8728   -0.0328   0.54681   35.8240   -0.0186   6.18243   275.62827
  9  1    13.4900   0.06000   300.000   0.00000   34.9348   0.00337   13.5039   -0.0139   0.23162   34.9418   -0.0070   2.07454   274.35718
 10  1    14.8600   0.03000   300.000   0.00000   34.2741   0.00295   14.8795   -0.0195   0.64967   34.2830   -0.0089   3.03278   1062.3010
 11  1    16.9700   0.06000   300.000   0.00000   33.3686   0.00343   16.9840   -0.0140   0.23321   33.3742   -0.0056   1.64474   272.31613
 12  1    18.7100   0.08000   300.000   0.00000   32.7264   0.00319   18.6499   0.06014   0.75181   32.7043   0.02211   6.92727   154.43579
 13  1    20.1900   0.00000   300.000   0.00000   32.1839   0.00349   20.1827   0.00729       INF   32.1814   0.00248   0.70880   9500.2881
 14  1    22.4900   0.03000   300.000   0.00000   31.4452   0.00313   22.4762   0.01384   0.46139   31.4410   0.00422   1.34668   994.72900
 15  1    24.3400   0.03000   300.000   0.00000   30.9119   0.00331   24.2962   0.04378   1.45944   30.8995   0.01232   3.71890   963.30762
 16  1    26.0500   0.02000   300.000   0.00000   30.4264   0.00373   26.0850   -0.0350   1.75209   30.4356   -0.0092   2.45511   1655.2305
 17  1    2.43000   0.07000   500.000   30.0000   45.7634   0.00662   2.40342   0.02658   0.37967   45.7104   0.05304   8.00733   115.76031
 18  1    2.66000   0.07000   600.000   30.0000   45.7610   0.00662   2.60823   0.05177   0.73959   45.6576   0.10339   15.6070   115.64157
 19  1    2.83000   0.07000   700.000   30.0000   45.8008   0.00783   2.79239   0.03761   0.53726   45.7249   0.07588   9.69221   115.47534
 20  1    2.97000   0.07000   800.000   30.0000   45.9260   0.00783   2.93531   0.03469   0.49551   45.8547   0.07134   9.11236   115.31835
 21  1    2.96000   0.07000   900.000   30.0000   46.4289   0.00843   2.90442   0.05558   0.79400   46.3073   0.12160   14.4231   114.82053
 22  1    2.95000   0.07000   1000.00   30.0000   46.7709   0.01144   2.95837   -0.0084   0.11957   46.7903   -0.0193   1.68930   114.35821
 23  1    2.92000   0.07000   1100.00   30.0000   47.4412   0.01445   2.88656   0.03344   0.47776   47.3576   0.08363   5.78626   113.63304
 24  1    2.89000   0.07000   1200.00   30.0000   48.1416   0.01506   2.82799   0.06201   0.88583   47.9728   0.16877   11.2100   113.04401
 25  1    5.03000   0.07000   500.000   30.0000   41.6485   0.00783   5.06746   -0.0375   0.53520   41.6941   -0.0456   5.82088   119.39236
 26  1    5.28000   0.07000   600.000   30.0000   41.5859   0.00783   5.31465   -0.0346   0.49497   41.6278   -0.0419   5.35359   119.28189
 27  1    5.40000   0.07000   700.000   30.0000   41.6690   0.00662   5.44191   -0.0419   0.59869   41.7203   -0.0514   7.75626   119.27464
 28  1    5.48000   0.07000   800.000   30.0000   41.7882   0.00662   5.54126   -0.0613   0.87512   41.8647   -0.0765   11.5529   119.10226
 29  1    5.54000   0.07000   900.000   30.0000   41.9797   0.00723   5.58576   -0.0458   0.65370   42.0383   -0.0586   8.11338   118.81418
 30  1    5.56000   0.07000   1000.00   30.0000   42.2802   0.00843   5.55212   0.00788   0.11262   42.2698   0.01046   1.24110   118.37031
 31  1    5.54000   0.07000   1100.00   30.0000   42.6319   0.00903   5.49134   0.04866   0.69516   42.5644   0.06747   7.46917   117.97836
 32  1    5.49000   0.07000   1200.00   30.0000   43.0131   0.00843   5.42288   0.06712   0.95883   42.9154   0.09768   11.5857   117.71460
 33  1    5.44000   0.07000   1300.00   30.0000   43.3997   0.00903   5.36481   0.07519   1.07411   43.2847   0.11505   12.7361   117.31145
 34  1    5.44000   0.07000   1400.00   30.0000   43.8990   0.01024   5.25142   0.18858   2.69398   43.5946   0.30438   29.7317   116.76765
 35  1    8.34000   0.07000   500.000   30.0000   38.4965   0.01265   8.25945   0.08055   1.15073   38.4313   0.06517   5.15323   119.80076
 36  1    8.30000   0.07000   600.000   30.0000   38.7133   0.01024   8.18569   0.11431   1.63302   38.6182   0.09511   9.29042   120.70971
 37  1    8.30000   0.07000   700.000   30.0000   38.8560   0.00843   8.20676   0.09324   1.33206   38.7768   0.07925   9.39988   121.19734
 38  1    8.29000   0.07000   800.000   30.0000   39.0355   0.00723   8.18970   0.10030   1.43288   38.9481   0.08737   12.0898   121.35551
 39  1    8.25000   0.07000   900.000   30.0000   39.2523   0.00662   8.13684   0.11316   1.61664   39.1508   0.10148   15.3196   121.27995
 40  1    8.17000   0.07000   1000.00   30.0000   39.4932   0.00662   8.06583   0.10417   1.48809   39.3966   0.09658   14.5796   121.04035
 41  1    8.10000   0.07000   1100.00   30.0000   39.7485   0.00602   7.98894   0.11106   1.58655   39.6420   0.10655   17.6928   120.91699
 42  1    7.98000   0.07000   1200.00   30.0000   40.0773   0.00723   7.84876   0.13124   1.87486   39.9459   0.13141   18.1841   120.37866
 43  1    7.77000   0.07000   1300.00   30.0000   40.5958   0.00783   7.54619   0.22381   3.19723   40.3574   0.23839   30.4507   119.81569
 44  1    7.53000   0.07000   1400.00   30.0000   41.1077   0.00903   7.28331   0.24669   3.52409   40.8273   0.28043   31.0439   119.16895
 45  1    7.29000   0.07000   1500.00   30.0000   41.5545   0.00903   7.10415   0.18585   2.65502   41.3296   0.22499   24.9067   118.81272
 46  1    6.95000   0.07000   1600.00   30.0000   42.0779   0.01265   6.88907   0.06093   0.87049   41.9981   0.07978   6.30852   117.75867
 47  1    6.71000   0.07000   1700.00   30.0000   42.7313   0.01084   6.61100   0.09900   1.41424   42.5906   0.14065   12.9751   117.60756
 48  1    5.93000   0.07000   500.000   30.0000   40.5669   0.00783   6.02241   -0.0924   1.32016   40.6654   -0.0985   12.5793   120.32787
 49  1    6.18000   0.07000   600.000   30.0000   40.5007   0.00783   6.27834   -0.0983   1.40486   40.6049   -0.1042   13.3082   120.20603
 50  1    6.32000   0.07000   700.000   30.0000   40.4537   0.00783   6.51641   -0.1964   2.80584   40.6624   -0.2087   26.6559   120.13745
<-------------------------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   6.76687   -0.2369   3.38386   40.6451   -0.2510   29.7688   119.98708
 52  1    6.76000   0.07000   900.000   30.0000   40.3260   0.00783   7.02578   -0.2658   3.79693   40.6063   -0.2803   35.8053   120.12432
 53  1    7.03000   0.07000   1000.00   30.0000   40.2989   0.00783   7.24540   -0.2154   3.07712   40.5250   -0.2261   28.8807   120.11279
 54  1    7.38000   0.07000   1100.00   30.0000   40.1941   0.00783   7.54062   -0.1606   2.29457   40.3602   -0.1661   21.2136   120.17474
 55  1    7.71000   0.07000   1200.00   30.0000   40.0653   0.00723   7.86070   -0.1507   2.15284   40.2187   -0.1535   21.2347   120.38910
 56  1    8.04000   0.07000   1300.00   30.0000   39.9310   0.00662   8.18786   -0.1479   2.11227   40.0792   -0.1482   22.3768   120.60957
 57  1    8.35000   0.07000   1400.00   30.0000   39.8870   0.00602   8.42502   -0.0750   1.07167   39.9616   -0.0746   12.3845   120.74754
 58  1    8.73000   0.07000   1500.00   30.0000   39.8720   0.00602   8.63300   0.09700   1.38569   39.7766   0.09538   15.8374   120.75364
 59  1    8.71000   0.07000   1600.00   30.0000   39.9226   0.00662   8.77491   -0.0649   0.92735   39.9876   -0.0651   9.82187   120.59138
 60  1    8.71000   0.07000   1700.00   30.0000   40.0611   0.00662   8.83055   -0.1205   1.72208   40.1848   -0.1237   18.6757   120.46545
 61  1    8.62000   0.07000   1800.00   30.0000   40.1803   0.00843   8.90776   -0.2878   4.11085   40.4844   -0.3041   36.0689   119.99332
 62  1    7.32000   0.07000   600.000   30.0000   39.3908   0.00482   7.41085   -0.0909   1.29790   39.4743   -0.0835   17.3240   121.77563
 63  1    7.52000   0.07000   700.000   30.0000   39.3685   0.00542   7.62634   -0.1063   1.51913   39.4662   -0.0977   18.0236   121.56810
 64  1    7.78000   0.07000   800.000   30.0000   39.3324   0.00542   7.85722   -0.0772   1.10318   39.4030   -0.0706   13.0293   121.52411
 65  1    8.03000   0.07000   900.000   30.0000   39.2920   0.00602   8.09291   -0.0629   0.89865   39.3493   -0.0573   9.51246   121.38408
 66  1    8.26000   0.07000   1000.00   30.0000   39.2029   0.00602   8.38288   -0.1229   1.75543   39.3141   -0.1112   18.4668   121.42674
 67  1    8.59000   0.07000   1100.00   30.0000   39.1108   0.00602   8.67708   -0.0871   1.24397   39.1886   -0.0779   12.9274   121.47926
 68  1    8.95000   0.07000   1200.00   30.0000   38.9705   0.00602   9.02709   -0.0771   1.10125   39.0382   -0.0677   11.2494   121.57787
 69  1    9.32000   0.07000   1300.00   30.0000   38.8494   0.00662   9.35712   -0.0371   0.53026   38.8815   -0.0321   4.84586   121.51875
 70  1    9.66000   0.07000   1400.00   30.0000   38.7537   0.00662   9.65924   0.00076   0.01080   38.7530   0.00065   0.09790   121.58378
 71  1    10.0200   0.07000   1500.00   30.0000   38.6736   0.00964   9.94387   0.07613   1.08753   38.6094   0.06414   6.65633   120.64095
 72  1    10.3000   0.07000   1600.00   30.0000   38.5953   0.00723   10.2270   0.07297   1.04239   38.5343   0.06097   8.43644   121.52510
 73  1    10.4700   0.07000   1700.00   30.0000   38.5573   0.00723   10.4625   0.00754   0.10768   38.5510   0.00630   0.87152   121.54713
 74  1    10.6100   0.07000   1800.00   30.0000   38.5826   0.00903   10.6224   -0.0124   0.17760   38.5931   -0.0105   1.15709   120.91241
 75  1    12.5300   0.07000   500.000   30.0000   35.5180   0.01265   12.7517   -0.2217   3.16752   35.6401   -0.1222   9.65945   118.75489
 76  1    12.9200   0.07000   700.000   30.0000   35.5143   0.01204   13.1234   -0.2034   2.90612   35.6266   -0.1122   9.31672   119.11638
 77  1    13.1700   0.07000   900.000   30.0000   35.5517   0.00783   13.4218   -0.2518   3.59652   35.6919   -0.1402   17.9090   123.04897
 78  1    13.6100   0.07000   1100.00   30.0000   35.5667   0.00723   13.7614   -0.1514   2.16326   35.6511   -0.0844   11.6765   123.42146
 79  1    13.4700   0.07000   1300.00   30.0000   35.9148   0.00843   13.5167   -0.0467   0.66686   35.9421   -0.0272   3.23148   122.40037
 80  1    13.1400   0.07000   1400.00   30.0000   36.1876   0.00783   13.2421   -0.1021   1.45852   36.2497   -0.0621   7.92928   122.71997
 81  1    12.9700   0.07000   1500.00   30.0000   36.4430   0.00964   13.0133   -0.0433   0.61795   36.4702   -0.0272   2.82358   121.41989
 82  1    12.6200   0.07000   1600.00   30.0000   36.8585   0.00723   12.5562   0.06379   0.91124   36.8162   0.04230   5.85357   122.71585
 83  1    12.2400   0.07000   1700.00   30.0000   37.1734   0.01024   12.2798   -0.0398   0.56922   37.2012   -0.0277   2.71003   120.89915
 84  1    9.89000   0.07000   500.000   30.0000   37.1704   0.00482   10.0417   -0.1517   2.16781   37.2747   -0.1043   21.6504   124.10334
 85  1    10.2500   0.07000   700.000   30.0000   37.1771   0.00542   10.4045   -0.1545   2.20680   37.2837   -0.1066   19.6692   123.52818
 86  1    10.6100   0.07000   900.000   30.0000   37.2036   0.00662   10.7394   -0.1294   1.84882   37.2934   -0.0898   13.5563   122.89296
 87  1    10.9600   0.07000   1100.00   30.0000   37.2102   0.00662   11.1039   -0.1439   2.05510   37.3104   -0.1003   15.1365   122.82087
 88  1    11.3500   0.07000   1300.00   30.0000   37.1530   0.00723   11.5609   -0.2109   3.01219   37.2997   -0.1467   20.3035   122.55922
 89  1    11.5900   0.07000   1400.00   30.0000   37.1102   0.00783   11.8101   -0.2201   3.14383   37.2628   -0.1525   19.4858   122.28570
 90  1    11.7800   0.07000   1500.00   30.0000   37.0994   0.00843   12.0129   -0.2329   3.32680   37.2609   -0.1615   19.1586   121.97448
 91  1    12.9500   0.07000   500.000   30.0000   35.5481   0.00783   12.6967   0.25326   3.61804   35.4104   0.13764   17.5810   123.58775
 92  1    13.1200   0.07000   600.000   30.0000   35.4993   0.00843   12.9682   0.15175   2.16792   35.4170   0.08234   9.76592   122.86136
 93  1    13.3300   0.07000   700.000   30.0000   35.4794   0.00783   13.1874   0.14262   2.03747   35.4021   0.07729   9.87298   123.21873
 94  1    13.5600   0.07000   800.000   30.0000   35.4138   0.00843   13.4912   0.06880   0.98286   35.3767   0.03710   4.40019   122.63646
 95  1    13.7700   0.07000   900.000   30.0000   35.3734   0.00843   13.7489   0.02106   0.30090   35.3621   0.01133   1.34381   122.57970
 96  1    13.9800   0.07000   1000.00   30.0000   35.3542   0.00903   13.9677   0.01225   0.17504   35.3476   0.00659   0.72931   121.99205
 97  1    14.2300   0.07000   1100.00   30.0000   35.3156   0.00964   14.2226   0.00739   0.10560   35.3117   0.00395   0.40976   121.38736
 98  1    14.4700   0.07000   1200.00   30.0000   35.2518   0.01084   14.5253   -0.0553   0.79016   35.2812   -0.0294   2.71537   120.08111
 99  1    14.7500   0.07000   1300.00   30.0000   35.2042   0.00964   14.7980   -0.0480   0.68591   35.2296   -0.0254   2.63711   121.33056
100  1    15.0100   0.07000   1400.00   30.0000   35.1639   0.00964   15.0574   -0.0474   0.67739   35.1888   -0.0250   2.59238   121.30749
<-------------------------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   15.2815   -0.0615   0.87840   35.1745   -0.0323   3.15978   120.66963
102  1    15.3600   0.07000   1600.00   30.0000   35.1988   0.00903   15.3570   0.00302   0.04309   35.1972   0.00159   0.17610   121.91036
103  1    15.3200   0.07000   1700.00   30.0000   35.3096   0.01024   15.3326   -0.0126   0.17970   35.3164   -0.0068   0.66251   120.75032
104  1    15.1700   0.07000   1800.00   30.0000   35.5457   0.01084   15.0851   0.08493   1.21333   35.4985   0.04716   4.35107   120.24403
105  1    20.3900   0.07000   800.000   30.0000   32.3780   0.00662   20.4934   -0.1034   1.47770   32.4145   -0.0365   5.50407   124.31582
106  1    20.1500   0.07000   500.000   30.0000   32.3244   0.00482   20.1204   0.02963   0.42332   32.3141   0.01031   2.13946   127.58527
107  1    20.2400   0.07000   600.000   30.0000   32.3274   0.00542   20.2867   -0.0467   0.66651   32.3437   -0.0163   3.00113   126.46047
108  1    20.3700   0.07000   700.000   30.0000   32.3660   0.00542   20.3519   0.01813   0.25902   32.3596   0.00636   1.17258   126.27953
109  1    20.4400   0.07000   800.000   30.0000   32.3913   0.00482   20.4558   -0.0158   0.22534   32.3968   -0.0056   1.15445   126.95769
110  1    20.5200   0.07000   900.000   30.0000   32.4382   0.00542   20.4991   0.02089   0.29839   32.4308   0.00740   1.36613   126.07852
111  1    20.4600   0.07000   1000.00   30.0000   32.5099   0.00482   20.4748   -0.0148   0.21136   32.5152   -0.0053   1.10299   126.78164
112  1    20.2500   0.07000   1100.00   30.0000   32.5900   0.00542   20.4298   -0.1798   2.56854   32.6557   -0.0657   12.1178   125.97421
113  1    20.0300   0.07000   1200.00   30.0000   32.7339   0.00662   20.2152   -0.1852   2.64617   32.8031   -0.0692   10.4409   124.27979
114  1    19.7400   0.07000   1300.00   30.0000   32.9321   0.00542   19.8673   -0.1273   1.81871   32.9809   -0.0489   9.02168   125.85731
115  1    19.3700   0.07000   1400.00   30.0000   33.1820   0.00542   19.4043   -0.0343   0.49046   33.1956   -0.0137   2.51900   125.78321
116  1    19.0100   0.07000   1500.00   30.0000   33.5096   0.00662   18.7778   0.23220   3.31712   33.4135   0.09610   14.5065   124.34953
117  1    18.5500   0.07000   1600.00   30.0000   33.8203   0.00602   18.2284   0.32163   4.59472   33.6814   0.13887   23.0606   124.94794
118  1    18.0600   0.07000   1700.00   30.0000   34.1491   0.00602   17.6725   0.38752   5.53605   33.9740   0.17508   29.0733   124.83543
119  1    17.4500   0.07000   1800.00   30.0000   34.4822   0.00903   17.1428   0.30716   4.38805   34.3362   0.14595   16.1571   121.72889
120  1    14.8100   0.07000   500.000   30.0000   34.5821   0.00723   14.5798   0.23017   3.28819   34.4724   0.10967   15.1763   124.34041
121  1    16.2300   0.07000   1300.00   30.0000   34.6068   0.00542   15.9773   0.25267   3.60960   34.4851   0.12175   22.4634   125.14036

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 121 DATA:
      CHI^2 (WEIGHTED)=   2.1749
      MAXIMUM DELTA-PRESSURE= 0.388


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      K0        Kp        Gamm0     q
    K0   :     100.0     -97.3     -13.3      -2.2
    Kp   :     -97.3     100.0      15.4       6.4
    Gamm0:     -13.3      15.4     100.0      95.0
    q    :      -2.2       6.4      95.0     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     K0        Kp        Gamm0     q
    K0   :   0.00105  -0.00035  -0.00026  -0.00006
    Kp   :  -0.00035   0.00012   0.00010   0.00006
    Gamm0:  -0.00026   0.00010   0.00373   0.00528
    q    :  -0.00006   0.00006   0.00528   0.00830

*****WARNING:     P    T  has some esds=0: This may make weights and LS results invalid


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

EOSFIT-7.6>fit
     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:  13.75(3)          :Bulk modulus: units are GPa
      Kp:  4.934(11)         :dK/dP: dimensionless
     Kpp: -0.4140            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  117.980           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.19(6)           :Gruneisen parameter at Tref,Pref
       q:  1.42(9)           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 
    Do you want to change these EoS parameters or the EoS type? (Y/N) <N>?n

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

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

     EQUATION FITTED WITH WEIGHTS DERIVED FROM sigma(P), sigma(T), sigma(V),

*****WARNING:     P    T  has some esds=0: This may make weights and LS results invalid





   RESULTS FROM CYCLE  1
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        51.11000  [NOT REFINED]
 K0      1        13.75481         -0.00000          0.03245          -0.00
 Kp      1         4.93398          0.00000          0.01107           0.00
 Kpp     0        -0.41405  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       117.98000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.19268          0.00000          0.06105           0.00
 q       1         1.41793          0.00000          0.09112           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.17 (AND ESD'S RESCALED BY W-CHI^2)


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



   RESULTS AFTER FINAL REFINEMENT CYCLE
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        51.11000  [NOT REFINED]
 K0      1        13.75481         -0.00000          0.03245          -0.00
 Kp      1         4.93398          0.00000          0.01107           0.00
 Kpp     0        -0.41405  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       117.98000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.19268          0.00000          0.06105           0.00
 q       1         1.41793          0.00000          0.09112           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.17 (AND ESD'S RESCALED BY W-CHI^2)

 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   0.53893   0.00107       INF   49.3064   0.00322   1.24185   1352720.8
  2  1    1.46000   0.03000   300.000   0.00000   46.9012   0.00283   1.46188   -0.0019   0.06251   46.9055   -0.0043   1.50544   1109.1921
  3  1    2.64000   0.04000   300.000   0.00000   44.5439   0.00337   2.65845   -0.0184   0.46119   44.5756   -0.0317   9.41233   623.49854
  4  1    4.15000   0.06000   300.000   0.00000   42.2292   0.00313   4.21407   -0.0641   1.06785   42.3127   -0.0835   26.6571   277.32846
  5  1    6.03000   0.06000   300.000   0.00000   40.1035   0.00379   6.09066   -0.0607   1.01095   40.1641   -0.0606   15.9608   276.66312
  6  1    7.83000   0.06000   300.000   0.00000   38.4809   0.00289   7.90346   -0.0735   1.22426   38.5404   -0.0596   20.6094   276.79184
  7  1    10.0100   0.03000   300.000   0.00000   36.9276   0.00379   10.0350   -0.0250   0.83249   36.9441   -0.0165   4.34262   1071.6050
  8  1    11.8400   0.06000   300.000   0.00000   35.8053   0.00301   11.8728   -0.0328   0.54674   35.8240   -0.0186   6.18243   275.62827
  9  1    13.4900   0.06000   300.000   0.00000   34.9348   0.00337   13.5039   -0.0139   0.23157   34.9418   -0.0070   2.07340   274.35718
 10  1    14.8600   0.03000   300.000   0.00000   34.2741   0.00295   14.8795   -0.0195   0.64958   34.2830   -0.0089   3.03278   1062.3010
 11  1    16.9700   0.06000   300.000   0.00000   33.3686   0.00343   16.9840   -0.0140   0.23314   33.3742   -0.0056   1.64585   272.31613
 12  1    18.7100   0.08000   300.000   0.00000   32.7264   0.00319   18.6499   0.06015   0.75185   32.7043   0.02212   6.92966   154.43579
 13  1    20.1900   0.00000   300.000   0.00000   32.1839   0.00349   20.1827   0.00730       INF   32.1814   0.00248   0.70990   9496.7559
 14  1    22.4900   0.03000   300.000   0.00000   31.4452   0.00313   22.4762   0.01385   0.46158   31.4410   0.00422   1.34790   994.76770
 15  1    24.3400   0.03000   300.000   0.00000   30.9119   0.00331   24.2962   0.04379   1.45969   30.8995   0.01232   3.72005   963.30762
 16  1    26.0500   0.02000   300.000   0.00000   30.4264   0.00373   26.0850   -0.0350   1.75171   30.4356   -0.0092   2.45511   1655.2305
 17  1    2.43000   0.07000   500.000   30.0000   45.7634   0.00662   2.40342   0.02658   0.37967   45.7104   0.05304   8.00733   115.76107
 18  1    2.66000   0.07000   600.000   30.0000   45.7610   0.00662   2.60823   0.05177   0.73959   45.6576   0.10339   15.6081   115.64196
 19  1    2.83000   0.07000   700.000   30.0000   45.8008   0.00783   2.79239   0.03761   0.53725   45.7249   0.07587   9.69172   115.47610
 20  1    2.97000   0.07000   800.000   30.0000   45.9260   0.00783   2.93532   0.03468   0.49550   45.8547   0.07134   9.11236   115.31835
 21  1    2.96000   0.07000   900.000   30.0000   46.4289   0.00843   2.90442   0.05558   0.79398   46.3073   0.12160   14.4231   114.82056
 22  1    2.95000   0.07000   1000.00   30.0000   46.7709   0.01144   2.95837   -0.0084   0.11959   46.7903   -0.0193   1.68997   114.35815
 23  1    2.92000   0.07000   1100.00   30.0000   47.4412   0.01445   2.88656   0.03344   0.47773   47.3576   0.08363   5.78600   113.63304
 24  1    2.89000   0.07000   1200.00   30.0000   48.1416   0.01506   2.82799   0.06201   0.88580   47.9728   0.16877   11.2102   113.04511
 25  1    5.03000   0.07000   500.000   30.0000   41.6485   0.00783   5.06746   -0.0375   0.53519   41.6941   -0.0456   5.82039   119.39236
 26  1    5.28000   0.07000   600.000   30.0000   41.5859   0.00783   5.31465   -0.0346   0.49497   41.6278   -0.0419   5.35310   119.28189
 27  1    5.40000   0.07000   700.000   30.0000   41.6690   0.00662   5.44191   -0.0419   0.59868   41.7203   -0.0514   7.75568   119.27560
 28  1    5.48000   0.07000   800.000   30.0000   41.7882   0.00662   5.54126   -0.0613   0.87511   41.8647   -0.0765   11.5529   119.10307
 29  1    5.54000   0.07000   900.000   30.0000   41.9797   0.00723   5.58576   -0.0458   0.65370   42.0383   -0.0586   8.11338   118.81426
 30  1    5.56000   0.07000   1000.00   30.0000   42.2802   0.00843   5.55212   0.00788   0.11262   42.2698   0.01046   1.24110   118.37102
 31  1    5.54000   0.07000   1100.00   30.0000   42.6319   0.00903   5.49134   0.04866   0.69515   42.5644   0.06747   7.46917   117.97846
 32  1    5.49000   0.07000   1200.00   30.0000   43.0131   0.00843   5.42288   0.06712   0.95882   42.9154   0.09768   11.5857   117.71539
 33  1    5.44000   0.07000   1300.00   30.0000   43.3997   0.00903   5.36481   0.07519   1.07409   43.2847   0.11505   12.7361   117.31152
 34  1    5.44000   0.07000   1400.00   30.0000   43.8990   0.01024   5.25142   0.18858   2.69396   43.5946   0.30438   29.7317   116.76774
 35  1    8.34000   0.07000   500.000   30.0000   38.4965   0.01265   8.25945   0.08055   1.15076   38.4313   0.06517   5.15353   119.80188
 36  1    8.30000   0.07000   600.000   30.0000   38.7133   0.01024   8.18569   0.11431   1.63304   38.6182   0.09511   9.29042   120.71004
 37  1    8.30000   0.07000   700.000   30.0000   38.8560   0.00843   8.20675   0.09325   1.33208   38.7768   0.07925   9.39943   121.19707
 38  1    8.29000   0.07000   800.000   30.0000   39.0355   0.00723   8.18970   0.10030   1.43290   38.9481   0.08737   12.0898   121.35528
 39  1    8.25000   0.07000   900.000   30.0000   39.2523   0.00662   8.13684   0.11316   1.61664   39.1508   0.10148   15.3196   121.27995
 40  1    8.17000   0.07000   1000.00   30.0000   39.4932   0.00662   8.06583   0.10417   1.48810   39.3966   0.09658   14.5796   121.04035
 41  1    8.10000   0.07000   1100.00   30.0000   39.7485   0.00602   7.98894   0.11106   1.58657   39.6420   0.10656   17.6940   120.91780
 42  1    7.98000   0.07000   1200.00   30.0000   40.0773   0.00723   7.84876   0.13124   1.87486   39.9459   0.13141   18.1846   120.37787
 43  1    7.77000   0.07000   1300.00   30.0000   40.5958   0.00783   7.54619   0.22381   3.19723   40.3574   0.23839   30.4507   119.81569
 44  1    7.53000   0.07000   1400.00   30.0000   41.1077   0.00903   7.28331   0.24669   3.52409   40.8273   0.28043   31.0443   119.16975
 45  1    7.29000   0.07000   1500.00   30.0000   41.5545   0.00903   7.10415   0.18585   2.65500   41.3296   0.22499   24.9067   118.81342
 46  1    6.95000   0.07000   1600.00   30.0000   42.0779   0.01265   6.88907   0.06093   0.87048   41.9981   0.07978   6.30852   117.76011
 47  1    6.71000   0.07000   1700.00   30.0000   42.7313   0.01084   6.61100   0.09900   1.41422   42.5906   0.14064   12.9747   117.60766
 48  1    5.93000   0.07000   500.000   30.0000   40.5669   0.00783   6.02241   -0.0924   1.32014   40.6654   -0.0985   12.5793   120.32767
 49  1    6.18000   0.07000   600.000   30.0000   40.5007   0.00783   6.27834   -0.0983   1.40485   40.6049   -0.1042   13.3087   120.20612
 50  1    6.32000   0.07000   700.000   30.0000   40.4537   0.00783   6.51641   -0.1964   2.80582   40.6624   -0.2087   26.6559   120.13734
<-------------------------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   6.76687   -0.2369   3.38385   40.6451   -0.2510   29.7688   119.98686
 52  1    6.76000   0.07000   900.000   30.0000   40.3260   0.00783   7.02578   -0.2658   3.79692   40.6063   -0.2803   35.8053   120.12421
 53  1    7.03000   0.07000   1000.00   30.0000   40.2989   0.00783   7.24540   -0.2154   3.07712   40.5250   -0.2261   28.8803   120.11121
 54  1    7.38000   0.07000   1100.00   30.0000   40.1941   0.00783   7.54062   -0.1606   2.29457   40.3602   -0.1661   21.2131   120.17553
 55  1    7.71000   0.07000   1200.00   30.0000   40.0653   0.00723   7.86070   -0.1507   2.15282   40.2187   -0.1535   21.2347   120.38969
 56  1    8.04000   0.07000   1300.00   30.0000   39.9310   0.00662   8.18786   -0.1479   2.11228   40.0792   -0.1482   22.3768   120.60938
 57  1    8.35000   0.07000   1400.00   30.0000   39.8870   0.00602   8.42502   -0.0750   1.07167   39.9616   -0.0746   12.3839   120.74915
 58  1    8.73000   0.07000   1500.00   30.0000   39.8720   0.00602   8.63300   0.09700   1.38569   39.7766   0.09538   15.8380   120.75346
 59  1    8.71000   0.07000   1600.00   30.0000   39.9226   0.00662   8.77491   -0.0649   0.92735   39.9876   -0.0651   9.82129   120.59138
 60  1    8.71000   0.07000   1700.00   30.0000   40.0611   0.00662   8.83055   -0.1205   1.72209   40.1848   -0.1237   18.6757   120.46528
 61  1    8.62000   0.07000   1800.00   30.0000   40.1803   0.00843   8.90776   -0.2878   4.11087   40.4844   -0.3041   36.0684   119.99332
 62  1    7.32000   0.07000   600.000   30.0000   39.3908   0.00482   7.41085   -0.0909   1.29788   39.4743   -0.0835   17.3224   121.77555
 63  1    7.52000   0.07000   700.000   30.0000   39.3685   0.00542   7.62634   -0.1063   1.51911   39.4662   -0.0977   18.0229   121.56882
 64  1    7.78000   0.07000   800.000   30.0000   39.3324   0.00542   7.85722   -0.0772   1.10316   39.4030   -0.0706   13.0286   121.52411
 65  1    8.03000   0.07000   900.000   30.0000   39.2920   0.00602   8.09290   -0.0629   0.89863   39.3493   -0.0573   9.51246   121.38568
 66  1    8.26000   0.07000   1000.00   30.0000   39.2029   0.00602   8.38288   -0.1229   1.75540   39.3141   -0.1112   18.4668   121.42674
 67  1    8.59000   0.07000   1100.00   30.0000   39.1108   0.00602   8.67708   -0.0871   1.24396   39.1886   -0.0779   12.9274   121.47926
 68  1    8.95000   0.07000   1200.00   30.0000   38.9705   0.00602   9.02709   -0.0771   1.10125   39.0382   -0.0677   11.2487   121.57928
 69  1    9.32000   0.07000   1300.00   30.0000   38.8494   0.00662   9.35712   -0.0371   0.53026   38.8815   -0.0321   4.84528   121.52037
 70  1    9.66000   0.07000   1400.00   30.0000   38.7537   0.00662   9.65924   0.00076   0.01080   38.7530   0.00065   0.09790   121.58215
 71  1    10.0200   0.07000   1500.00   30.0000   38.6736   0.00964   9.94387   0.07613   1.08753   38.6094   0.06414   6.65633   120.64126
 72  1    10.3000   0.07000   1600.00   30.0000   38.5953   0.00723   10.2270   0.07297   1.04239   38.5343   0.06096   8.43591   121.52510
 73  1    10.4700   0.07000   1700.00   30.0000   38.5573   0.00723   10.4625   0.00754   0.10768   38.5510   0.00630   0.87204   121.54737
 74  1    10.6100   0.07000   1800.00   30.0000   38.5826   0.00903   10.6224   -0.0124   0.17760   38.5931   -0.0105   1.15752   120.91211
 75  1    12.5300   0.07000   500.000   30.0000   35.5180   0.01265   12.7517   -0.2217   3.16751   35.6401   -0.1222   9.65914   118.75404
 76  1    12.9200   0.07000   700.000   30.0000   35.5143   0.01204   13.1234   -0.2034   2.90605   35.6266   -0.1122   9.31640   119.11578
 77  1    13.1700   0.07000   900.000   30.0000   35.5517   0.00783   13.4218   -0.2518   3.59648   35.6919   -0.1402   17.9090   123.04816
 78  1    13.6100   0.07000   1100.00   30.0000   35.5667   0.00723   13.7614   -0.1514   2.16325   35.6511   -0.0844   11.6770   123.42184
 79  1    13.4700   0.07000   1300.00   30.0000   35.9148   0.00843   13.5167   -0.0467   0.66685   35.9421   -0.0272   3.23148   122.40079
 80  1    13.1400   0.07000   1400.00   30.0000   36.1876   0.00783   13.2421   -0.1021   1.45848   36.2497   -0.0621   7.92879   122.71838
 81  1    12.9700   0.07000   1500.00   30.0000   36.4430   0.00964   13.0133   -0.0433   0.61793   36.4702   -0.0272   2.82398   121.41946
 82  1    12.6200   0.07000   1600.00   30.0000   36.8585   0.00723   12.5562   0.06379   0.91126   36.8162   0.04230   5.85357   122.71294
 83  1    12.2400   0.07000   1700.00   30.0000   37.1734   0.01024   12.2798   -0.0398   0.56921   37.2012   -0.0277   2.70966   120.90071
 84  1    9.89000   0.07000   500.000   30.0000   37.1704   0.00482   10.0417   -0.1517   2.16780   37.2747   -0.1043   21.6496   124.10191
 85  1    10.2500   0.07000   700.000   30.0000   37.1771   0.00542   10.4045   -0.1545   2.20675   37.2837   -0.1066   19.6692   123.52958
 86  1    10.6100   0.07000   900.000   30.0000   37.2036   0.00662   10.7394   -0.1294   1.84878   37.2934   -0.0898   13.5557   122.89296
 87  1    10.9600   0.07000   1100.00   30.0000   37.2102   0.00662   11.1039   -0.1439   2.05510   37.3104   -0.1003   15.1365   122.81953
 88  1    11.3500   0.07000   1300.00   30.0000   37.1530   0.00723   11.5609   -0.2109   3.01217   37.2997   -0.1467   20.3035   122.55922
 89  1    11.5900   0.07000   1400.00   30.0000   37.1102   0.00783   11.8101   -0.2201   3.14380   37.2628   -0.1525   19.4858   122.28570
 90  1    11.7800   0.07000   1500.00   30.0000   37.0994   0.00843   12.0129   -0.2329   3.32677   37.2609   -0.1615   19.1586   121.97414
 91  1    12.9500   0.07000   500.000   30.0000   35.5481   0.00783   12.6967   0.25327   3.61810   35.4104   0.13763   17.5806   123.58733
 92  1    13.1200   0.07000   600.000   30.0000   35.4993   0.00843   12.9682   0.15176   2.16796   35.4170   0.08233   9.76547   122.86091
 93  1    13.3300   0.07000   700.000   30.0000   35.4794   0.00783   13.1874   0.14262   2.03748   35.4021   0.07729   9.87250   123.21754
 94  1    13.5600   0.07000   800.000   30.0000   35.4138   0.00843   13.4912   0.06880   0.98290   35.3767   0.03709   4.39973   122.63691
 95  1    13.7700   0.07000   900.000   30.0000   35.3734   0.00843   13.7489   0.02107   0.30094   35.3621   0.01133   1.34381   122.57970
 96  1    13.9800   0.07000   1000.00   30.0000   35.3542   0.00903   13.9677   0.01226   0.17509   35.3476   0.00659   0.72931   121.99361
 97  1    14.2300   0.07000   1100.00   30.0000   35.3156   0.00964   14.2226   0.00739   0.10564   35.3117   0.00395   0.40976   121.38686
 98  1    14.4700   0.07000   1200.00   30.0000   35.2518   0.01084   14.5253   -0.0553   0.79013   35.2812   -0.0294   2.71502   120.08015
 99  1    14.7500   0.07000   1300.00   30.0000   35.2042   0.00964   14.7980   -0.0480   0.68587   35.2296   -0.0254   2.63751   121.33056
100  1    15.0100   0.07000   1400.00   30.0000   35.1639   0.00964   15.0574   -0.0474   0.67737   35.1888   -0.0250   2.59198   121.30853
<-------------------------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   15.2815   -0.0615   0.87837   35.1745   -0.0323   3.15978   120.66963
102  1    15.3600   0.07000   1600.00   30.0000   35.1988   0.00903   15.3570   0.00302   0.04312   35.1972   0.00159   0.17610   121.91191
103  1    15.3200   0.07000   1700.00   30.0000   35.3096   0.01024   15.3326   -0.0126   0.17966   35.3164   -0.0068   0.66251   120.75032
104  1    15.1700   0.07000   1800.00   30.0000   35.5457   0.01084   15.0851   0.08493   1.21335   35.4985   0.04717   4.35177   120.24403
105  1    20.3900   0.07000   800.000   30.0000   32.3780   0.00662   20.4934   -0.1034   1.47768   32.4145   -0.0365   5.50349   124.31694
106  1    20.1500   0.07000   500.000   30.0000   32.3244   0.00482   20.1204   0.02964   0.42340   32.3141   0.01030   2.13788   127.58288
107  1    20.2400   0.07000   600.000   30.0000   32.3274   0.00542   20.2867   -0.0466   0.66643   32.3437   -0.0163   3.00113   126.46141
108  1    20.3700   0.07000   700.000   30.0000   32.3660   0.00542   20.3519   0.01814   0.25910   32.3596   0.00636   1.17258   126.27859
109  1    20.4400   0.07000   800.000   30.0000   32.3913   0.00482   20.4558   -0.0158   0.22526   32.3968   -0.0056   1.15366   126.95769
110  1    20.5200   0.07000   900.000   30.0000   32.4382   0.00542   20.4991   0.02089   0.29847   32.4308   0.00741   1.36684   126.07852
111  1    20.4600   0.07000   1000.00   30.0000   32.5099   0.00482   20.4748   -0.0148   0.21131   32.5152   -0.0053   1.10299   126.78490
112  1    20.2500   0.07000   1100.00   30.0000   32.5900   0.00542   20.4298   -0.1798   2.56849   32.6557   -0.0657   12.1171   125.97331
113  1    20.0300   0.07000   1200.00   30.0000   32.7339   0.00662   20.2152   -0.1852   2.64615   32.8031   -0.0692   10.4409   124.27666
114  1    19.7400   0.07000   1300.00   30.0000   32.9321   0.00542   19.8673   -0.1273   1.81863   32.9809   -0.0489   9.02097   125.85645
115  1    19.3700   0.07000   1400.00   30.0000   33.1820   0.00542   19.4043   -0.0343   0.49038   33.1956   -0.0136   2.51830   125.78081
116  1    19.0100   0.07000   1500.00   30.0000   33.5096   0.00662   18.7778   0.23220   3.31721   33.4135   0.09610   14.5065   124.34637
117  1    18.5500   0.07000   1600.00   30.0000   33.8203   0.00602   18.2284   0.32163   4.59475   33.6814   0.13888   23.0612   124.94876
118  1    18.0600   0.07000   1700.00   30.0000   34.1491   0.00602   17.6725   0.38753   5.53608   33.9740   0.17509   29.0739   124.83221
119  1    17.4500   0.07000   1800.00   30.0000   34.4822   0.00903   17.1428   0.30717   4.38807   34.3362   0.14595   16.1575   121.72784
120  1    14.8100   0.07000   500.000   30.0000   34.5821   0.00723   14.5798   0.23018   3.28823   34.4724   0.10967   15.1763   124.34041
121  1    16.2300   0.07000   1300.00   30.0000   34.6068   0.00542   15.9773   0.25268   3.60966   34.4851   0.12175   22.4641   125.14198

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 121 DATA:
      CHI^2 (WEIGHTED)=   2.1749
      MAXIMUM DELTA-PRESSURE= 0.388


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      K0        Kp        Gamm0     q
    K0   :     100.0     -97.3     -13.3      -2.2
    Kp   :     -97.3     100.0      15.4       6.4
    Gamm0:     -13.3      15.4     100.0      95.0
    q    :      -2.2       6.4      95.0     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     K0        Kp        Gamm0     q
    K0   :   0.00105  -0.00035  -0.00026  -0.00006
    Kp   :  -0.00035   0.00012   0.00010   0.00006
    Gamm0:  -0.00026   0.00010   0.00373   0.00528
    q    :  -0.00006   0.00006   0.00528   0.00830

*****WARNING:     P    T  has some esds=0: This may make weights and LS results invalid


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

EOSFIT-7.6>save /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbi/weighted_legacy_na_precise_theta/fitted.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 09:36
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  51.1100           :Reference pressure volume: units are cm^3/mol
      K0:  13.75(3)          :Bulk modulus: units are GPa
      Kp:  4.934(11)         :dK/dP: dimensionless
     Kpp: -0.4140            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  117.980           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.19(6)           :Gruneisen parameter at Tref,Pref
       q:  1.42(9)           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

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


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


EOSFIT-7.6>
***** Macro completed

EOSFIT-7.6>