***********************************************************************************************************************
*                                                                                                                     *
*                                                     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_precise_theta/run.mcr

***** Running macro

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


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


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


Successfully opened data file
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbi/weighted_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   46.9013   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):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_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_precise_theta/initial.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbi/weighted_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   0.53654   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   0.44529   45.7011   0.06238   9.41703
 18  1    2.66000   0.07000   600.000   30.0000   45.7610   0.00662   2.60519   0.05481   0.78295   45.6513   0.10978   16.5721
 19  1    2.83000   0.07000   700.000   30.0000   45.8008   0.00783   2.79098   0.03902   0.55741   45.7218   0.07898   10.0888
 20  1    2.97000   0.07000   800.000   30.0000   45.9260   0.00783   2.93569   0.03431   0.49020   45.8552   0.07083   9.04755
 21  1    2.96000   0.07000   900.000   30.0000   46.4289   0.00843   2.90722   0.05278   0.75395   46.3130   0.11595   13.7526
 22  1    2.95000   0.07000   1000.00   30.0000   46.7710   0.01144   2.96334   -0.0133   0.19056   46.8019   -0.0310   2.70515
 23  1    2.92000   0.07000   1100.00   30.0000   47.4412   0.01445   2.89427   0.02573   0.36761   47.3765   0.06469   4.47608
 24  1    2.89000   0.07000   1200.00   30.0000   48.1416   0.01506   2.83849   0.05151   0.73581   48.0005   0.14107   9.37018
 25  1    5.03000   0.07000   500.000   30.0000   41.6485   0.00783   5.05570   -0.0257   0.36718   41.6798   -0.0313   3.99801
 26  1    5.28000   0.07000   600.000   30.0000   41.5859   0.00783   5.30422   -0.0242   0.34603   41.6152   -0.0293   3.74805
 27  1    5.40000   0.07000   700.000   30.0000   41.6690   0.00662   5.43310   -0.0331   0.47282   41.7096   -0.0406   6.13405
 28  1    5.48000   0.07000   800.000   30.0000   41.7882   0.00662   5.53412   -0.0541   0.77321   41.8560   -0.0677   10.2255
 29  1    5.54000   0.07000   900.000   30.0000   41.9797   0.00723   5.58046   -0.0405   0.57804   42.0317   -0.0520   7.18908
 30  1    5.56000   0.07000   1000.00   30.0000   42.2802   0.00843   5.54888   0.01112   0.15892   42.2654   0.01480   1.75600
 31  1    5.54000   0.07000   1100.00   30.0000   42.6319   0.00903   5.49025   0.04975   0.71065   42.5628   0.06915   7.65498
 32  1    5.49000   0.07000   1200.00   30.0000   43.0131   0.00843   5.42403   0.06597   0.94240   42.9169   0.09628   11.4201
 33  1    5.44000   0.07000   1300.00   30.0000   43.3998   0.00903   5.36822   0.07178   1.02545   43.2896   0.11020   12.1989
 34  1    5.44000   0.07000   1400.00   30.0000   43.8990   0.01024   5.25732   0.18268   2.60965   43.6031   0.29595   28.9078
 35  1    8.34000   0.07000   500.000   30.0000   38.4965   0.01265   8.24209   0.09791   1.39875   38.4173   0.07925   6.26658
 36  1    8.30000   0.07000   600.000   30.0000   38.7133   0.01024   8.17007   0.12993   1.85615   38.6052   0.10817   10.5655
 37  1    8.30000   0.07000   700.000   30.0000   38.8561   0.00843   8.19278   0.10722   1.53172   38.7649   0.09120   10.8174
 38  1    8.29000   0.07000   800.000   30.0000   39.0355   0.00723   8.17743   0.11256   1.60806   38.9374   0.09814   13.5805
 39  1    8.25000   0.07000   900.000   30.0000   39.2523   0.00662   8.12636   0.12364   1.76626   39.1413   0.11098   16.7541
 40  1    8.17000   0.07000   1000.00   30.0000   39.4932   0.00662   8.05722   0.11278   1.61114   39.3885   0.10469   15.8033
 41  1    8.10000   0.07000   1100.00   30.0000   39.7485   0.00602   7.98223   0.11776   1.68235   39.6354   0.11315   18.7893
 42  1    7.98000   0.07000   1200.00   30.0000   40.0773   0.00723   7.84412   0.13588   1.94118   39.9411   0.13629   18.8598
 43  1    7.77000   0.07000   1300.00   30.0000   40.5959   0.00783   7.54401   0.22599   3.22847   40.3547   0.24119   30.8083
 44  1    7.53000   0.07000   1400.00   30.0000   41.1077   0.00903   7.28361   0.24639   3.51984   40.8270   0.28074   31.0781
 45  1    7.29000   0.07000   1500.00   30.0000   41.5546   0.00903   7.10681   0.18319   2.61704   41.3322   0.22236   24.6157
 46  1    6.95000   0.07000   1600.00   30.0000   42.0779   0.01265   6.89428   0.05572   0.79600   42.0047   0.07317   5.78577
 47  1    6.71000   0.07000   1700.00   30.0000   42.7313   0.01084   6.61906   0.09094   1.29912   42.6016   0.12967   11.9623
 48  1    5.93000   0.07000   500.000   30.0000   40.5669   0.00783   6.00870   -0.0787   1.12427   40.6509   -0.0840   10.7233
 49  1    6.18000   0.07000   600.000   30.0000   40.5007   0.00783   6.26592   -0.0859   1.22739   40.5918   -0.0911   11.6413
 50  1    6.32000   0.07000   700.000   30.0000   40.4537   0.00783   6.50534   -0.1853   2.64771   40.6509   -0.1972   25.1838
<-------------------------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   3.24462   40.6351   -0.2410   28.5833
 52  1    6.76000   0.07000   900.000   30.0000   40.3261   0.00783   7.01734   -0.2573   3.67628   40.5979   -0.2718   34.7187
 53  1    7.03000   0.07000   1000.00   30.0000   40.2990   0.00783   7.23833   -0.2083   2.97617   40.5180   -0.2190   27.9759
 54  1    7.38000   0.07000   1100.00   30.0000   40.1942   0.00783   7.53477   -0.1548   2.21105   40.3545   -0.1603   20.4744
 55  1    7.71000   0.07000   1200.00   30.0000   40.0653   0.00723   7.85602   -0.1460   2.08605   40.2142   -0.1489   20.6102
 56  1    8.04000   0.07000   1300.00   30.0000   39.9310   0.00662   8.18435   -0.1444   2.06214   40.0760   -0.1450   21.8861
 57  1    8.35000   0.07000   1400.00   30.0000   39.8870   0.00602   8.42284   -0.0728   1.04061   39.9596   -0.0725   12.0469
 58  1    8.73000   0.07000   1500.00   30.0000   39.8720   0.00602   8.63222   0.09778   1.39690   39.7757   0.09634   15.9977
 59  1    8.71000   0.07000   1600.00   30.0000   39.9226   0.00662   8.77566   -0.0657   0.93798   39.9885   -0.0659   9.95546
 60  1    8.71000   0.07000   1700.00   30.0000   40.0611   0.00662   8.83300   -0.1230   1.75709   40.1876   -0.1265   19.1007
 61  1    8.62000   0.07000   1800.00   30.0000   40.1803   0.00843   8.91189   -0.2919   4.16987   40.4896   -0.3093   36.6806
 62  1    7.32000   0.07000   600.000   30.0000   39.3908   0.00482   7.39644   -0.0764   1.09198   39.4611   -0.0703   14.5859
 63  1    7.52000   0.07000   700.000   30.0000   39.3685   0.00542   7.61328   -0.0933   1.33262   39.4543   -0.0858   15.8249
 64  1    7.78000   0.07000   800.000   30.0000   39.3324   0.00542   7.84550   -0.0655   0.93576   39.3924   -0.0600   11.0621
 65  1    8.03000   0.07000   900.000   30.0000   39.2921   0.00602   8.08252   -0.0525   0.75030   39.3399   -0.0479   7.94911
 66  1    8.26000   0.07000   1000.00   30.0000   39.2029   0.00602   8.37372   -0.1137   1.62457   39.3060   -0.1030   17.1106
 67  1    8.59000   0.07000   1100.00   30.0000   39.1108   0.00602   8.66915   -0.0791   1.13070   39.1816   -0.0708   11.7637
 68  1    8.95000   0.07000   1200.00   30.0000   38.9705   0.00602   9.02028   -0.0703   1.00404   39.0323   -0.0619   10.2707
 69  1    9.32000   0.07000   1300.00   30.0000   38.8494   0.00662   9.35149   -0.0315   0.44978   38.8767   -0.0273   4.11509
 70  1    9.66000   0.07000   1400.00   30.0000   38.7537   0.00662   9.65481   0.00519   0.07413   38.7492   0.00444   0.66972
 71  1    10.0200   0.07000   1500.00   30.0000   38.6736   0.00964   9.94067   0.07933   1.13324   38.6066   0.06693   6.94652
 72  1    10.3000   0.07000   1600.00   30.0000   38.5953   0.00723   10.2251   0.07493   1.07046   38.5326   0.06269   8.67556
 73  1    10.4700   0.07000   1700.00   30.0000   38.5574   0.00723   10.4618   0.00818   0.11684   38.5505   0.00685   0.94753
 74  1    10.6100   0.07000   1800.00   30.0000   38.5826   0.00903   10.6232   -0.0132   0.18892   38.5938   -0.0111   1.23311
 75  1    12.5300   0.07000   500.000   30.0000   35.5180   0.01265   12.7300   -0.2000   2.85662   35.6281   -0.1101   8.70957
 76  1    12.9200   0.07000   700.000   30.0000   35.5144   0.01204   13.1042   -0.1842   2.63192   35.6160   -0.1016   8.43749
 77  1    13.1700   0.07000   900.000   30.0000   35.5517   0.00783   13.4052   -0.2352   3.36020   35.6827   -0.1310   16.7332
 78  1    13.6100   0.07000   1100.00   30.0000   35.5668   0.00723   13.7475   -0.1375   1.96432   35.6434   -0.0766   10.6065
 79  1    13.4700   0.07000   1300.00   30.0000   35.9148   0.00843   13.5059   -0.0359   0.51276   35.9358   -0.0210   2.48627
 80  1    13.1400   0.07000   1400.00   30.0000   36.1876   0.00783   13.2330   -0.0930   1.32899   36.2443   -0.0566   7.23054
 81  1    12.9700   0.07000   1500.00   30.0000   36.4430   0.00964   13.0060   -0.0360   0.51365   36.4656   -0.0226   2.34810
 82  1    12.6200   0.07000   1600.00   30.0000   36.8585   0.00723   12.5510   0.06903   0.98621   36.8127   0.04583   6.34184
 83  1    12.2400   0.07000   1700.00   30.0000   37.1735   0.01024   12.2765   -0.0365   0.52136   37.1989   -0.0254   2.48571
 84  1    9.89000   0.07000   500.000   30.0000   37.1705   0.00482   10.0222   -0.1322   1.88915   37.2614   -0.0909   18.8703
 85  1    10.2500   0.07000   700.000   30.0000   37.1771   0.00542   10.3876   -0.1376   1.96629   37.2721   -0.0950   17.5317
 86  1    10.6100   0.07000   900.000   30.0000   37.2036   0.00662   10.7253   -0.1153   1.64755   37.2836   -0.0801   12.0867
 87  1    10.9600   0.07000   1100.00   30.0000   37.2102   0.00662   11.0925   -0.1325   1.89258   37.3026   -0.0924   13.9490
 88  1    11.3500   0.07000   1300.00   30.0000   37.1530   0.00723   11.5521   -0.2021   2.88676   37.2937   -0.1407   19.4753
 89  1    11.5900   0.07000   1400.00   30.0000   37.1102   0.00783   11.8026   -0.2126   3.03669   37.2577   -0.1475   18.8382
 90  1    11.7800   0.07000   1500.00   30.0000   37.0994   0.00843   12.0067   -0.2267   3.23856   37.2568   -0.1574   18.6694
 91  1    12.9500   0.07000   500.000   30.0000   35.5481   0.00783   12.6750   0.27501   3.92874   35.3987   0.14943   19.0872
 92  1    13.1200   0.07000   600.000   30.0000   35.4993   0.00843   12.9477   0.17228   2.46112   35.4059   0.09346   11.0848
 93  1    13.3300   0.07000   700.000   30.0000   35.4794   0.00783   13.1681   0.16186   2.31222   35.3917   0.08771   11.2037
 94  1    13.5600   0.07000   800.000   30.0000   35.4138   0.00843   13.4732   0.08681   1.24013   35.3670   0.04680   5.55124
 95  1    13.7700   0.07000   900.000   30.0000   35.3735   0.00843   13.7322   0.03783   0.54043   35.3531   0.02035   2.41388
 96  1    13.9800   0.07000   1000.00   30.0000   35.3542   0.00903   13.9523   0.02774   0.39627   35.3393   0.01491   1.65034
 97  1    14.2300   0.07000   1100.00   30.0000   35.3156   0.00964   14.2084   0.02162   0.30884   35.3041   0.01157   1.20038
 98  1    14.4700   0.07000   1200.00   30.0000   35.2518   0.01084   14.5123   -0.0423   0.60410   35.2743   -0.0225   2.07665
 99  1    14.7500   0.07000   1300.00   30.0000   35.2042   0.00964   14.7862   -0.0362   0.51761   35.2234   -0.0192   1.99021
100  1    15.0100   0.07000   1400.00   30.0000   35.1639   0.00964   15.0469   -0.0369   0.52685   35.1833   -0.0194   2.01673
<-------------------------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   0.74590   35.1697   -0.0275   2.68395
102  1    15.3600   0.07000   1600.00   30.0000   35.1988   0.00903   15.3491   0.01090   0.15567   35.1930   0.00578   0.63978
103  1    15.3200   0.07000   1700.00   30.0000   35.3096   0.01024   15.3262   -0.0062   0.08792   35.3129   -0.0033   0.32455
104  1    15.1700   0.07000   1800.00   30.0000   35.5457   0.01084   15.0803   0.08971   1.28163   35.4958   0.04985   4.59881
105  1    20.3900   0.07000   800.000   30.0000   32.3780   0.00662   20.4737   -0.0837   1.19580   32.4075   -0.0295   4.45082
106  1    20.1500   0.07000   500.000   30.0000   32.3244   0.00482   20.0970   0.05297   0.75675   32.3060   0.01840   3.81968
107  1    20.2400   0.07000   600.000   30.0000   32.3275   0.00542   20.2645   -0.0245   0.35041   32.3360   -0.0085   1.57728
108  1    20.3700   0.07000   700.000   30.0000   32.3660   0.00542   20.3309   0.03909   0.55842   32.3523   0.01368   2.52463
109  1    20.4400   0.07000   800.000   30.0000   32.3913   0.00482   20.4360   0.00397   0.05665   32.3899   0.00140   0.28980
110  1    20.5200   0.07000   900.000   30.0000   32.4383   0.00542   20.4806   0.03944   0.56338   32.4243   0.01398   2.57953
111  1    20.4600   0.07000   1000.00   30.0000   32.5099   0.00482   20.4575   0.00253   0.03613   32.5090   0.00091   0.18845
112  1    20.2500   0.07000   1100.00   30.0000   32.5900   0.00542   20.4137   -0.1637   2.33841   32.6498   -0.0598   11.0248
113  1    20.0300   0.07000   1200.00   30.0000   32.7339   0.00662   20.2003   -0.1703   2.43356   32.7975   -0.0636   9.59842
114  1    19.7400   0.07000   1300.00   30.0000   32.9321   0.00542   19.8537   -0.1137   1.62392   32.9757   -0.0436   8.05250
115  1    19.3700   0.07000   1400.00   30.0000   33.1820   0.00542   19.3920   -0.0220   0.31460   33.1907   -0.0088   1.61458
116  1    19.0100   0.07000   1500.00   30.0000   33.5096   0.00662   18.7669   0.24310   3.47282   33.4090   0.10060   15.1860
117  1    18.5500   0.07000   1600.00   30.0000   33.8203   0.00602   18.2190   0.33104   4.72911   33.6774   0.14295   23.7377
118  1    18.0600   0.07000   1700.00   30.0000   34.1491   0.00602   17.6646   0.39537   5.64815   33.9705   0.17867   29.6680
119  1    17.4500   0.07000   1800.00   30.0000   34.4822   0.00903   17.1366   0.31336   4.47657   34.3332   0.14894   16.4886
120  1    14.8100   0.07000   500.000   30.0000   34.5821   0.00723   14.5571   0.25290   3.61282   34.4617   0.12046   16.6686
121  1    16.2300   0.07000   1300.00   30.0000   34.6068   0.00542   15.9648   0.26516   3.78804   34.4791   0.12778   23.5761

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        13.75532          0.06532          0.03351           1.95
 Kp      1         4.93375         -0.01625          0.01153          -1.41
 Kpp     0        -0.41399  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       117.98000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.19255         -0.01745          0.06347          -0.27
 q       1         1.41788         -0.00212          0.09399          -0.02
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.34 (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        13.75501         -0.00031          0.03245          -0.01
 Kp      1         4.93392          0.00018          0.01107           0.02
 Kpp     0        -0.41403  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       117.98000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.19266          0.00011          0.06105           0.00
 q       1         1.41793          0.00005          0.09113           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.18 (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        13.75502          0.00000          0.03245           0.00
 Kp      1         4.93392         -0.00000          0.01107          -0.00
 Kpp     0        -0.41403  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       117.98000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.19267          0.00001          0.06105           0.00
 q       1         1.41795          0.00002          0.09112           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.18 (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        13.75502          0.00000          0.03245           0.00
 Kp      1         4.93392         -0.00000          0.01107          -0.00
 Kpp     0        -0.41403  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       117.98000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.19267          0.00001          0.06105           0.00
 q       1         1.41795          0.00002          0.09112           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.18 (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   1.24332   1352533.2
  2  1    1.46000   0.03000   300.000   0.00000   46.9013   0.00283   1.46188   -0.0019   0.06264   46.9055   -0.0043   1.50814   1109.1914
  3  1    2.64000   0.04000   300.000   0.00000   44.5439   0.00337   2.65846   -0.0185   0.46151   44.5757   -0.0318   9.41798   623.49750
  4  1    4.15000   0.06000   300.000   0.00000   42.2292   0.00313   4.21409   -0.0641   1.06818   42.3127   -0.0835   26.6644   277.32651
  5  1    6.03000   0.06000   300.000   0.00000   40.1035   0.00379   6.09069   -0.0607   1.01151   40.1641   -0.0606   15.9668   276.65616
  6  1    7.83000   0.06000   300.000   0.00000   38.4809   0.00289   7.90348   -0.0735   1.22467   38.5405   -0.0596   20.6160   276.79443
  7  1    10.0100   0.03000   300.000   0.00000   36.9276   0.00379   10.0350   -0.0250   0.83310   36.9441   -0.0165   4.34664   1071.6680
  8  1    11.8400   0.06000   300.000   0.00000   35.8054   0.00301   11.8728   -0.0328   0.54727   35.8240   -0.0186   6.18876   275.61829
  9  1    13.4900   0.06000   300.000   0.00000   34.9349   0.00337   13.5039   -0.0139   0.23201   34.9419   -0.0070   2.07793   274.34949
 10  1    14.8600   0.03000   300.000   0.00000   34.2741   0.00295   14.8795   -0.0195   0.64999   34.2831   -0.0090   3.03666   1062.1763
 11  1    16.9700   0.06000   300.000   0.00000   33.3686   0.00343   16.9840   -0.0140   0.23343   33.3743   -0.0057   1.64807   272.30170
 12  1    18.7100   0.08000   300.000   0.00000   32.7264   0.00319   18.6499   0.06014   0.75178   32.7043   0.02211   6.92726   154.43343
 13  1    20.1900   0.00000   300.000   0.00000   32.1839   0.00349   20.1827   0.00729       INF   32.1815   0.00248   0.71099   9500.2881
 14  1    22.4900   0.03000   300.000   0.00000   31.4453   0.00313   22.4762   0.01385   0.46164   31.4410   0.00422   1.34912   994.45770
 15  1    24.3400   0.03000   300.000   0.00000   30.9119   0.00331   24.2962   0.04382   1.46058   30.8996   0.01233   3.72351   962.68329
 16  1    26.0500   0.02000   300.000   0.00000   30.4264   0.00373   26.0850   -0.0350   1.74866   30.4356   -0.0092   2.45205   1657.3218
 17  1    2.43000   0.07000   500.000   30.0000   45.7635   0.00662   2.40343   0.02657   0.37959   45.7104   0.05304   8.00675   115.76137
 18  1    2.66000   0.07000   600.000   30.0000   45.7610   0.00662   2.60824   0.05176   0.73947   45.6577   0.10337   15.6046   115.64271
 19  1    2.83000   0.07000   700.000   30.0000   45.8008   0.00783   2.79239   0.03761   0.53721   45.7249   0.07587   9.69123   115.47649
 20  1    2.97000   0.07000   800.000   30.0000   45.9260   0.00783   2.93532   0.03468   0.49544   45.8547   0.07133   9.11138   115.31907
 21  1    2.96000   0.07000   900.000   30.0000   46.4289   0.00843   2.90442   0.05558   0.79400   46.3073   0.12161   14.4240   114.82206
 22  1    2.95000   0.07000   1000.00   30.0000   46.7710   0.01144   2.95836   -0.0084   0.11950   46.7903   -0.0193   1.68797   114.35938
 23  1    2.92000   0.07000   1100.00   30.0000   47.4412   0.01445   2.88655   0.03345   0.47783   47.3576   0.08364   5.78732   113.63374
 24  1    2.89000   0.07000   1200.00   30.0000   48.1416   0.01506   2.82798   0.06202   0.88596   47.9728   0.16879   11.2112   113.04534
 25  1    5.03000   0.07000   500.000   30.0000   41.6485   0.00783   5.06748   -0.0375   0.53547   41.6941   -0.0456   5.82282   119.39167
 26  1    5.28000   0.07000   600.000   30.0000   41.5859   0.00783   5.31466   -0.0347   0.49515   41.6278   -0.0419   5.35554   119.28216
 27  1    5.40000   0.07000   700.000   30.0000   41.6690   0.00662   5.44192   -0.0419   0.59891   41.7204   -0.0514   7.75683   119.27544
 28  1    5.48000   0.07000   800.000   30.0000   41.7882   0.00662   5.54126   -0.0613   0.87521   41.8648   -0.0765   11.5540   119.10351
 29  1    5.54000   0.07000   900.000   30.0000   41.9797   0.00723   5.58577   -0.0458   0.65386   42.0384   -0.0587   8.11655   118.81590
 30  1    5.56000   0.07000   1000.00   30.0000   42.2802   0.00843   5.55213   0.00787   0.11241   42.2698   0.01045   1.23974   118.37167
 31  1    5.54000   0.07000   1100.00   30.0000   42.6319   0.00903   5.49135   0.04865   0.69507   42.5645   0.06746   7.46790   117.97768
 32  1    5.49000   0.07000   1200.00   30.0000   43.0131   0.00843   5.42289   0.06711   0.95876   42.9155   0.09767   11.5844   117.71625
 33  1    5.44000   0.07000   1300.00   30.0000   43.3998   0.00903   5.36481   0.07519   1.07413   43.2847   0.11505   12.7365   117.31455
 34  1    5.44000   0.07000   1400.00   30.0000   43.8990   0.01024   5.25142   0.18858   2.69397   43.5946   0.30439   29.7321   116.76923
 35  1    8.34000   0.07000   500.000   30.0000   38.4965   0.01265   8.25947   0.08053   1.15047   38.4314   0.06516   5.15263   119.79847
 36  1    8.30000   0.07000   600.000   30.0000   38.7133   0.01024   8.18570   0.11430   1.63283   38.6182   0.09510   9.28892   120.70630
 37  1    8.30000   0.07000   700.000   30.0000   38.8561   0.00843   8.20678   0.09322   1.33178   38.7768   0.07924   9.39852   121.19840
 38  1    8.29000   0.07000   800.000   30.0000   39.0355   0.00723   8.18972   0.10028   1.43262   38.9482   0.08736   12.0882   121.35668
 39  1    8.25000   0.07000   900.000   30.0000   39.2523   0.00662   8.13684   0.11316   1.61653   39.1508   0.10147   15.3179   121.28218
 40  1    8.17000   0.07000   1000.00   30.0000   39.4932   0.00662   8.06584   0.10416   1.48796   39.3966   0.09657   14.5779   121.04174
 41  1    8.10000   0.07000   1100.00   30.0000   39.7485   0.00602   7.98895   0.11105   1.58637   39.6420   0.10654   17.6921   120.91843
 42  1    7.98000   0.07000   1200.00   30.0000   40.0773   0.00723   7.84877   0.13123   1.87471   39.9459   0.13141   18.1846   120.37838
 43  1    7.77000   0.07000   1300.00   30.0000   40.5959   0.00783   7.54619   0.22380   3.19721   40.3575   0.23839   30.4507   119.81768
 44  1    7.53000   0.07000   1400.00   30.0000   41.1077   0.00903   7.28332   0.24668   3.52402   40.8273   0.28042   31.0435   119.16895
 45  1    7.29000   0.07000   1500.00   30.0000   41.5546   0.00903   7.10414   0.18586   2.65514   41.3296   0.22499   24.9075   118.81639
 46  1    6.95000   0.07000   1600.00   30.0000   42.0779   0.01265   6.88906   0.06094   0.87058   41.9981   0.07978   6.30821   117.76202
 47  1    6.71000   0.07000   1700.00   30.0000   42.7313   0.01084   6.61100   0.09900   1.41432   42.5906   0.14066   12.9758   117.60766
 48  1    5.93000   0.07000   500.000   30.0000   40.5669   0.00783   6.02243   -0.0924   1.32046   40.6654   -0.0985   12.5817   120.32694
 49  1    6.18000   0.07000   600.000   30.0000   40.5007   0.00783   6.27834   -0.0983   1.40491   40.6049   -0.1042   13.3097   120.20703
 50  1    6.32000   0.07000   700.000   30.0000   40.4537   0.00783   6.51642   -0.1964   2.80604   40.6624   -0.2087   26.6573   120.13918
<-------------------------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   6.76689   -0.2369   3.38409   40.6451   -0.2510   29.7715   119.98766
 52  1    6.76000   0.07000   900.000   30.0000   40.3261   0.00783   7.02580   -0.2658   3.79715   40.6064   -0.2803   35.8072   120.12335
 53  1    7.03000   0.07000   1000.00   30.0000   40.2990   0.00783   7.24541   -0.2154   3.07732   40.5251   -0.2261   28.8817   120.11318
 54  1    7.38000   0.07000   1100.00   30.0000   40.1942   0.00783   7.54063   -0.1606   2.29468   40.3603   -0.1661   21.2136   120.17584
 55  1    7.71000   0.07000   1200.00   30.0000   40.0653   0.00723   7.86070   -0.1507   2.15285   40.2188   -0.1535   21.2341   120.38811
 56  1    8.04000   0.07000   1300.00   30.0000   39.9310   0.00662   8.18787   -0.1479   2.11239   40.0793   -0.1482   22.3785   120.60864
 57  1    8.35000   0.07000   1400.00   30.0000   39.8870   0.00602   8.42502   -0.0750   1.07178   39.9616   -0.0746   12.3851   120.74762
 58  1    8.73000   0.07000   1500.00   30.0000   39.8720   0.00602   8.63301   0.09699   1.38563   39.7766   0.09538   15.8380   120.75540
 59  1    8.71000   0.07000   1600.00   30.0000   39.9226   0.00662   8.77492   -0.0649   0.92742   39.9876   -0.0651   9.82128   120.59158
 60  1    8.71000   0.07000   1700.00   30.0000   40.0611   0.00662   8.83054   -0.1205   1.72205   40.1848   -0.1237   18.6751   120.46777
 61  1    8.62000   0.07000   1800.00   30.0000   40.1803   0.00843   8.90776   -0.2878   4.11080   40.4844   -0.3041   36.0684   119.99603
 62  1    7.32000   0.07000   600.000   30.0000   39.3908   0.00482   7.41087   -0.0909   1.29820   39.4743   -0.0835   17.3279   121.77570
 63  1    7.52000   0.07000   700.000   30.0000   39.3685   0.00542   7.62636   -0.1064   1.51941   39.4662   -0.0977   18.0264   121.57105
 64  1    7.78000   0.07000   800.000   30.0000   39.3324   0.00542   7.85724   -0.0772   1.10343   39.4030   -0.0706   13.0300   121.52341
 65  1    8.03000   0.07000   900.000   30.0000   39.2921   0.00602   8.09293   -0.0629   0.89896   39.3494   -0.0573   9.51562   121.38457
 66  1    8.26000   0.07000   1000.00   30.0000   39.2029   0.00602   8.38289   -0.1229   1.75559   39.3142   -0.1112   18.4687   121.42656
 67  1    8.59000   0.07000   1100.00   30.0000   39.1108   0.00602   8.67709   -0.0871   1.24416   39.1887   -0.0779   12.9286   121.47992
 68  1    8.95000   0.07000   1200.00   30.0000   38.9705   0.00602   9.02709   -0.0771   1.10130   39.0382   -0.0678   11.2506   121.58286
 69  1    9.32000   0.07000   1300.00   30.0000   38.8494   0.00662   9.35713   -0.0371   0.53039   38.8815   -0.0321   4.84528   121.51928
 70  1    9.66000   0.07000   1400.00   30.0000   38.7537   0.00662   9.65924   0.00076   0.01080   38.7530   0.00064   0.09732   121.58844
 71  1    10.0200   0.07000   1500.00   30.0000   38.6736   0.00964   9.94387   0.07613   1.08756   38.6094   0.06414   6.65632   120.64095
 72  1    10.3000   0.07000   1600.00   30.0000   38.5953   0.00723   10.2270   0.07297   1.04245   38.5343   0.06096   8.43591   121.52767
 73  1    10.4700   0.07000   1700.00   30.0000   38.5574   0.00723   10.4625   0.00753   0.10763   38.5511   0.00630   0.87152   121.54737
 74  1    10.6100   0.07000   1800.00   30.0000   38.5826   0.00903   10.6224   -0.0124   0.17753   38.5931   -0.0105   1.15709   120.91737
 75  1    12.5300   0.07000   500.000   30.0000   35.5180   0.01265   12.7517   -0.2217   3.16785   35.6401   -0.1222   9.66004   118.75489
 76  1    12.9200   0.07000   700.000   30.0000   35.5144   0.01204   13.1234   -0.2034   2.90627   35.6266   -0.1122   9.31766   119.12261
 77  1    13.1700   0.07000   900.000   30.0000   35.5517   0.00783   13.4218   -0.2518   3.59665   35.6919   -0.1402   17.9085   123.04816
 78  1    13.6100   0.07000   1100.00   30.0000   35.5668   0.00723   13.7614   -0.1514   2.16312   35.6511   -0.0844   11.6765   123.42222
 79  1    13.4700   0.07000   1300.00   30.0000   35.9148   0.00843   13.5167   -0.0467   0.66696   35.9421   -0.0272   3.23148   122.39742
 80  1    13.1400   0.07000   1400.00   30.0000   36.1876   0.00783   13.2421   -0.1021   1.45826   36.2497   -0.0621   7.92927   122.72665
 81  1    12.9700   0.07000   1500.00   30.0000   36.4430   0.00964   13.0133   -0.0433   0.61801   36.4702   -0.0272   2.82358   121.41586
 82  1    12.6200   0.07000   1600.00   30.0000   36.8585   0.00723   12.5562   0.06378   0.91118   36.8162   0.04230   5.85356   122.71112
 83  1    12.2400   0.07000   1700.00   30.0000   37.1735   0.01024   12.2798   -0.0398   0.56895   37.2012   -0.0277   2.70966   120.91015
 84  1    9.89000   0.07000   500.000   30.0000   37.1705   0.00482   10.0418   -0.1518   2.16818   37.2748   -0.1043   21.6527   124.10085
 85  1    10.2500   0.07000   700.000   30.0000   37.1771   0.00542   10.4045   -0.1545   2.20691   37.2837   -0.1066   19.6706   123.52841
 86  1    10.6100   0.07000   900.000   30.0000   37.2036   0.00662   10.7394   -0.1294   1.84905   37.2934   -0.0898   13.5575   122.89351
 87  1    10.9600   0.07000   1100.00   30.0000   37.2102   0.00662   11.1039   -0.1439   2.05529   37.3105   -0.1003   15.1382   122.82005
 88  1    11.3500   0.07000   1300.00   30.0000   37.1530   0.00723   11.5609   -0.2109   3.01222   37.2997   -0.1467   20.3046   122.55952
 89  1    11.5900   0.07000   1400.00   30.0000   37.1102   0.00783   11.8101   -0.2201   3.14391   37.2628   -0.1525   19.4858   122.28635
 90  1    11.7800   0.07000   1500.00   30.0000   37.0994   0.00843   12.0129   -0.2329   3.32674   37.2609   -0.1615   19.1590   121.97572
 91  1    12.9500   0.07000   500.000   30.0000   35.5481   0.00783   12.6967   0.25326   3.61801   35.4105   0.13763   17.5801   123.59515
 92  1    13.1200   0.07000   600.000   30.0000   35.4993   0.00843   12.9682   0.15176   2.16800   35.4170   0.08234   9.76592   122.86516
 93  1    13.3300   0.07000   700.000   30.0000   35.4794   0.00783   13.1874   0.14261   2.03728   35.4022   0.07728   9.87103   123.22163
 94  1    13.5600   0.07000   800.000   30.0000   35.4138   0.00843   13.4912   0.06878   0.98263   35.3767   0.03709   4.39883   122.63848
 95  1    13.7700   0.07000   900.000   30.0000   35.3735   0.00843   13.7489   0.02106   0.30080   35.3621   0.01133   1.34381   122.57791
 96  1    13.9800   0.07000   1000.00   30.0000   35.3542   0.00903   13.9678   0.01224   0.17490   35.3476   0.00658   0.72804   121.99551
 97  1    14.2300   0.07000   1100.00   30.0000   35.3156   0.00964   14.2226   0.00738   0.10538   35.3117   0.00396   0.41055   121.38889
 98  1    14.4700   0.07000   1200.00   30.0000   35.2518   0.01084   14.5253   -0.0553   0.79011   35.2812   -0.0294   2.71572   120.07943
 99  1    14.7500   0.07000   1300.00   30.0000   35.2042   0.00964   14.7980   -0.0480   0.68588   35.2296   -0.0254   2.63751   121.32851
100  1    15.0100   0.07000   1400.00   30.0000   35.1639   0.00964   15.0574   -0.0474   0.67729   35.1889   -0.0250   2.59198   121.30852
<-------------------------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   0.87813   35.1745   -0.0323   3.15903   120.66476
102  1    15.3600   0.07000   1600.00   30.0000   35.1988   0.00903   15.3570   0.00302   0.04309   35.1972   0.00160   0.17694   121.90900
103  1    15.3200   0.07000   1700.00   30.0000   35.3096   0.01024   15.3326   -0.0126   0.17964   35.3164   -0.0068   0.66214   120.74345
104  1    15.1700   0.07000   1800.00   30.0000   35.5457   0.01084   15.0850   0.08495   1.21358   35.4985   0.04717   4.35177   120.24770
105  1    20.3900   0.07000   800.000   30.0000   32.3780   0.00662   20.4934   -0.1034   1.47762   32.4145   -0.0365   5.50291   124.31805
106  1    20.1500   0.07000   500.000   30.0000   32.3244   0.00482   20.1204   0.02965   0.42351   32.3141   0.01031   2.14105   127.57944
107  1    20.2400   0.07000   600.000   30.0000   32.3275   0.00542   20.2867   -0.0467   0.66654   32.3437   -0.0163   3.00112   126.45192
108  1    20.3700   0.07000   700.000   30.0000   32.3660   0.00542   20.3518   0.01815   0.25932   32.3596   0.00636   1.17328   126.27805
109  1    20.4400   0.07000   800.000   30.0000   32.3913   0.00482   20.4558   -0.0158   0.22523   32.3968   -0.0056   1.15366   126.95937
110  1    20.5200   0.07000   900.000   30.0000   32.4383   0.00542   20.4991   0.02091   0.29872   32.4308   0.00742   1.36895   126.07852
111  1    20.4600   0.07000   1000.00   30.0000   32.5099   0.00482   20.4748   -0.0148   0.21125   32.5152   -0.0053   1.10140   126.78654
112  1    20.2500   0.07000   1100.00   30.0000   32.5900   0.00542   20.4298   -0.1798   2.56838   32.6557   -0.0657   12.1164   125.97421
113  1    20.0300   0.07000   1200.00   30.0000   32.7339   0.00662   20.2152   -0.1852   2.64601   32.8031   -0.0692   10.4398   124.28189
114  1    19.7400   0.07000   1300.00   30.0000   32.9321   0.00542   19.8673   -0.1273   1.81833   32.9810   -0.0489   9.01956   125.86396
115  1    19.3700   0.07000   1400.00   30.0000   33.1820   0.00542   19.4043   -0.0343   0.49019   33.1956   -0.0136   2.51689   125.77334
116  1    19.0100   0.07000   1500.00   30.0000   33.5096   0.00662   18.7778   0.23222   3.31748   33.4135   0.09611   14.5088   124.35236
117  1    18.5500   0.07000   1600.00   30.0000   33.8203   0.00602   18.2284   0.32165   4.59494   33.6815   0.13889   23.0631   124.95033
118  1    18.0600   0.07000   1700.00   30.0000   34.1491   0.00602   17.6725   0.38754   5.53630   33.9740   0.17510   29.0758   124.83776
119  1    17.4500   0.07000   1800.00   30.0000   34.4822   0.00903   17.1428   0.30717   4.38810   34.3362   0.14596   16.1579   121.71935
120  1    14.8100   0.07000   500.000   30.0000   34.5821   0.00723   14.5798   0.23017   3.28811   34.4725   0.10967   15.1758   124.34200
121  1    16.2300   0.07000   1300.00   30.0000   34.6068   0.00542   15.9773   0.25268   3.60970   34.4851   0.12175   22.4641   125.14394

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 121 DATA:
      CHI^2 (WEIGHTED)=   2.1750
      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:  13.76(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        13.75502         -0.00000          0.03245          -0.00
 Kp      1         4.93392         -0.00000          0.01107          -0.00
 Kpp     0        -0.41403  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       117.98000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.19266         -0.00001          0.06105          -0.00
 q       1         1.41792         -0.00003          0.09112          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.18 (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        13.75502         -0.00000          0.03245          -0.00
 Kp      1         4.93392         -0.00000          0.01107          -0.00
 Kpp     0        -0.41403  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       117.98000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.19266         -0.00001          0.06105          -0.00
 q       1         1.41792         -0.00003          0.09112          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.18 (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   1352533.2
  2  1    1.46000   0.03000   300.000   0.00000   46.9013   0.00283   1.46188   -0.0019   0.06264   46.9055   -0.0043   1.50814   1109.1918
  3  1    2.64000   0.04000   300.000   0.00000   44.5439   0.00337   2.65846   -0.0185   0.46151   44.5757   -0.0318   9.41798   623.49780
  4  1    4.15000   0.06000   300.000   0.00000   42.2292   0.00313   4.21409   -0.0641   1.06818   42.3127   -0.0835   26.6644   277.32687
  5  1    6.03000   0.06000   300.000   0.00000   40.1035   0.00379   6.09069   -0.0607   1.01150   40.1641   -0.0606   15.9679   276.65674
  6  1    7.83000   0.06000   300.000   0.00000   38.4809   0.00289   7.90348   -0.0735   1.22465   38.5405   -0.0596   20.6160   276.79443
  7  1    10.0100   0.03000   300.000   0.00000   36.9276   0.00379   10.0350   -0.0250   0.83310   36.9441   -0.0165   4.34564   1071.6680
  8  1    11.8400   0.06000   300.000   0.00000   35.8054   0.00301   11.8728   -0.0328   0.54722   35.8240   -0.0186   6.18749   275.61752
  9  1    13.4900   0.06000   300.000   0.00000   34.9349   0.00337   13.5039   -0.0139   0.23198   34.9419   -0.0070   2.07680   274.34949
 10  1    14.8600   0.03000   300.000   0.00000   34.2741   0.00295   14.8795   -0.0195   0.64987   34.2831   -0.0090   3.03407   1062.1763
 11  1    16.9700   0.06000   300.000   0.00000   33.3686   0.00343   16.9840   -0.0140   0.23336   33.3743   -0.0057   1.64807   272.30170
 12  1    18.7100   0.08000   300.000   0.00000   32.7264   0.00319   18.6499   0.06015   0.75183   32.7043   0.02211   6.92607   154.43265
 13  1    20.1900   0.00000   300.000   0.00000   32.1839   0.00349   20.1827   0.00729       INF   32.1815   0.00248   0.71099   9493.2266
 14  1    22.4900   0.03000   300.000   0.00000   31.4453   0.00313   22.4761   0.01386   0.46190   31.4410   0.00423   1.35034   994.34143
 15  1    24.3400   0.03000   300.000   0.00000   30.9119   0.00331   24.2962   0.04383   1.46084   30.8996   0.01233   3.72408   962.68329
 16  1    26.0500   0.02000   300.000   0.00000   30.4264   0.00373   26.0850   -0.0350   1.74837   30.4356   -0.0092   2.45256   1657.3218
 17  1    2.43000   0.07000   500.000   30.0000   45.7635   0.00662   2.40343   0.02657   0.37961   45.7104   0.05304   8.00733   115.76099
 18  1    2.66000   0.07000   600.000   30.0000   45.7610   0.00662   2.60823   0.05176   0.73950   45.6577   0.10337   15.6052   115.64230
 19  1    2.83000   0.07000   700.000   30.0000   45.8008   0.00783   2.79239   0.03761   0.53725   45.7249   0.07588   9.69269   115.47613
 20  1    2.97000   0.07000   800.000   30.0000   45.9260   0.00783   2.93532   0.03468   0.49549   45.8547   0.07134   9.11284   115.31871
 21  1    2.96000   0.07000   900.000   30.0000   46.4289   0.00843   2.90441   0.05559   0.79408   46.3073   0.12161   14.4240   114.82247
 22  1    2.95000   0.07000   1000.00   30.0000   46.7710   0.01144   2.95836   -0.0084   0.11940   46.7903   -0.0193   1.68697   114.35892
 23  1    2.92000   0.07000   1100.00   30.0000   47.4412   0.01445   2.88654   0.03346   0.47794   47.3576   0.08366   5.78863   113.63377
 24  1    2.89000   0.07000   1200.00   30.0000   48.1416   0.01506   2.82797   0.06203   0.88609   47.9728   0.16882   11.2135   113.04566
 25  1    5.03000   0.07000   500.000   30.0000   41.6485   0.00783   5.06748   -0.0375   0.53545   41.6941   -0.0456   5.82234   119.39167
 26  1    5.28000   0.07000   600.000   30.0000   41.5859   0.00783   5.31466   -0.0347   0.49514   41.6278   -0.0419   5.35505   119.28216
 27  1    5.40000   0.07000   700.000   30.0000   41.6690   0.00662   5.44192   -0.0419   0.59889   41.7204   -0.0514   7.75740   119.27560
 28  1    5.48000   0.07000   800.000   30.0000   41.7882   0.00662   5.54126   -0.0613   0.87519   41.8648   -0.0765   11.5535   119.10437
 29  1    5.54000   0.07000   900.000   30.0000   41.9797   0.00723   5.58577   -0.0458   0.65383   42.0384   -0.0587   8.11602   118.81605
 30  1    5.56000   0.07000   1000.00   30.0000   42.2802   0.00843   5.55213   0.00787   0.11245   42.2698   0.01045   1.23974   118.37078
 31  1    5.54000   0.07000   1100.00   30.0000   42.6319   0.00903   5.49134   0.04866   0.69511   42.5645   0.06747   7.46874   117.97768
 32  1    5.49000   0.07000   1200.00   30.0000   43.0131   0.00843   5.42288   0.06712   0.95883   42.9155   0.09768   11.5853   117.71617
 33  1    5.44000   0.07000   1300.00   30.0000   43.3998   0.00903   5.36481   0.07519   1.07419   43.2847   0.11505   12.7361   117.31377
 34  1    5.44000   0.07000   1400.00   30.0000   43.8990   0.01024   5.25142   0.18858   2.69406   43.5946   0.30440   29.7332   116.76852
 35  1    8.34000   0.07000   500.000   30.0000   38.4965   0.01265   8.25947   0.08053   1.15047   38.4314   0.06516   5.15263   119.79694
 36  1    8.30000   0.07000   600.000   30.0000   38.7133   0.01024   8.18570   0.11430   1.63284   38.6182   0.09510   9.28929   120.70753
 37  1    8.30000   0.07000   700.000   30.0000   38.8561   0.00843   8.20678   0.09322   1.33178   38.7768   0.07924   9.39852   121.19707
 38  1    8.29000   0.07000   800.000   30.0000   39.0355   0.00723   8.18971   0.10028   1.43264   38.9482   0.08736   12.0882   121.35828
 39  1    8.25000   0.07000   900.000   30.0000   39.2523   0.00662   8.13684   0.11316   1.61655   39.1508   0.10147   15.3179   121.28077
 40  1    8.17000   0.07000   1000.00   30.0000   39.4932   0.00662   8.06584   0.10416   1.48796   39.3966   0.09657   14.5779   121.04195
 41  1    8.10000   0.07000   1100.00   30.0000   39.7485   0.00602   7.98895   0.11105   1.58638   39.6420   0.10654   17.6921   120.91843
 42  1    7.98000   0.07000   1200.00   30.0000   40.0773   0.00723   7.84877   0.13123   1.87473   39.9459   0.13141   18.1841   120.37859
 43  1    7.77000   0.07000   1300.00   30.0000   40.5959   0.00783   7.54619   0.22381   3.19724   40.3575   0.23839   30.4507   119.81867
 44  1    7.53000   0.07000   1400.00   30.0000   41.1077   0.00903   7.28332   0.24668   3.52406   40.8273   0.28043   31.0443   119.16996
 45  1    7.29000   0.07000   1500.00   30.0000   41.5546   0.00903   7.10414   0.18586   2.65518   41.3296   0.22499   24.9075   118.81490
 46  1    6.95000   0.07000   1600.00   30.0000   42.0779   0.01265   6.88906   0.06094   0.87063   41.9981   0.07979   6.30912   117.76189
 47  1    6.71000   0.07000   1700.00   30.0000   42.7313   0.01084   6.61099   0.09901   1.41441   42.5906   0.14066   12.9761   117.60814
 48  1    5.93000   0.07000   500.000   30.0000   40.5669   0.00783   6.02243   -0.0924   1.32043   40.6654   -0.0985   12.5812   120.32764
 49  1    6.18000   0.07000   600.000   30.0000   40.5007   0.00783   6.27834   -0.0983   1.40489   40.6049   -0.1042   13.3097   120.20703
 50  1    6.32000   0.07000   700.000   30.0000   40.4537   0.00783   6.51642   -0.1964   2.80602   40.6624   -0.2087   26.6573   120.13907
<-------------------------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   6.76689   -0.2369   3.38408   40.6451   -0.2510   29.7710   119.98788
 52  1    6.76000   0.07000   900.000   30.0000   40.3261   0.00783   7.02580   -0.2658   3.79714   40.6064   -0.2803   35.8072   120.12415
 53  1    7.03000   0.07000   1000.00   30.0000   40.2990   0.00783   7.24541   -0.2154   3.07730   40.5251   -0.2261   28.8812   120.11248
 54  1    7.38000   0.07000   1100.00   30.0000   40.1942   0.00783   7.54063   -0.1606   2.29465   40.3603   -0.1661   21.2136   120.17632
 55  1    7.71000   0.07000   1200.00   30.0000   40.0653   0.00723   7.86070   -0.1507   2.15284   40.2188   -0.1534   21.2336   120.38811
 56  1    8.04000   0.07000   1300.00   30.0000   39.9310   0.00662   8.18787   -0.1479   2.11239   40.0793   -0.1482   22.3785   120.60882
 57  1    8.35000   0.07000   1400.00   30.0000   39.8870   0.00602   8.42502   -0.0750   1.07178   39.9616   -0.0746   12.3845   120.74744
 58  1    8.73000   0.07000   1500.00   30.0000   39.8720   0.00602   8.63300   0.09700   1.38565   39.7766   0.09538   15.8374   120.75380
 59  1    8.71000   0.07000   1600.00   30.0000   39.9226   0.00662   8.77492   -0.0649   0.92739   39.9876   -0.0651   9.82071   120.59298
 60  1    8.71000   0.07000   1700.00   30.0000   40.0611   0.00662   8.83054   -0.1205   1.72202   40.1848   -0.1237   18.6751   120.46777
 61  1    8.62000   0.07000   1800.00   30.0000   40.1803   0.00843   8.90775   -0.2878   4.11077   40.4844   -0.3041   36.0675   119.99580
 62  1    7.32000   0.07000   600.000   30.0000   39.3908   0.00482   7.41087   -0.0909   1.29820   39.4743   -0.0835   17.3271   121.77570
 63  1    7.52000   0.07000   700.000   30.0000   39.3685   0.00542   7.62636   -0.1064   1.51940   39.4662   -0.0977   18.0264   121.57105
 64  1    7.78000   0.07000   800.000   30.0000   39.3324   0.00542   7.85724   -0.0772   1.10341   39.4030   -0.0706   13.0300   121.52341
 65  1    8.03000   0.07000   900.000   30.0000   39.2921   0.00602   8.09293   -0.0629   0.89896   39.3494   -0.0573   9.51498   121.38439
 66  1    8.26000   0.07000   1000.00   30.0000   39.2029   0.00602   8.38289   -0.1229   1.75558   39.3142   -0.1112   18.4687   121.42799
 67  1    8.59000   0.07000   1100.00   30.0000   39.1108   0.00602   8.67709   -0.0871   1.24414   39.1887   -0.0779   12.9286   121.47992
 68  1    8.95000   0.07000   1200.00   30.0000   38.9705   0.00602   9.02709   -0.0771   1.10130   39.0382   -0.0678   11.2506   121.58286
 69  1    9.32000   0.07000   1300.00   30.0000   38.8494   0.00662   9.35713   -0.0371   0.53041   38.8815   -0.0321   4.84586   121.51767
 70  1    9.66000   0.07000   1400.00   30.0000   38.7537   0.00662   9.65925   0.00076   0.01079   38.7530   0.00064   0.09617   121.58705
 71  1    10.0200   0.07000   1500.00   30.0000   38.6736   0.00964   9.94387   0.07613   1.08756   38.6094   0.06414   6.65632   120.64062
 72  1    10.3000   0.07000   1600.00   30.0000   38.5953   0.00723   10.2270   0.07297   1.04243   38.5343   0.06096   8.43591   121.52767
 73  1    10.4700   0.07000   1700.00   30.0000   38.5574   0.00723   10.4625   0.00753   0.10760   38.5511   0.00630   0.87152   121.54922
 74  1    10.6100   0.07000   1800.00   30.0000   38.5826   0.00903   10.6224   -0.0124   0.17755   38.5931   -0.0105   1.15709   120.91578
 75  1    12.5300   0.07000   500.000   30.0000   35.5180   0.01265   12.7517   -0.2217   3.16782   35.6401   -0.1222   9.66004   118.75489
 76  1    12.9200   0.07000   700.000   30.0000   35.5144   0.01204   13.1234   -0.2034   2.90627   35.6266   -0.1122   9.31735   119.12261
 77  1    13.1700   0.07000   900.000   30.0000   35.5517   0.00783   13.4218   -0.2518   3.59666   35.6919   -0.1402   17.9085   123.04892
 78  1    13.6100   0.07000   1100.00   30.0000   35.5668   0.00723   13.7614   -0.1514   2.16315   35.6512   -0.0844   11.6770   123.42222
 79  1    13.4700   0.07000   1300.00   30.0000   35.9148   0.00843   13.5167   -0.0467   0.66701   35.9421   -0.0272   3.23193   122.39742
 80  1    13.1400   0.07000   1400.00   30.0000   36.1876   0.00783   13.2421   -0.1021   1.45832   36.2497   -0.0621   7.92976   122.72665
 81  1    12.9700   0.07000   1500.00   30.0000   36.4430   0.00964   13.0133   -0.0433   0.61805   36.4702   -0.0272   2.82358   121.41586
 82  1    12.6200   0.07000   1600.00   30.0000   36.8585   0.00723   12.5562   0.06378   0.91115   36.8162   0.04230   5.85409   122.71241
 83  1    12.2400   0.07000   1700.00   30.0000   37.1735   0.01024   12.2798   -0.0398   0.56899   37.2012   -0.0277   2.70928   120.91171
 84  1    9.89000   0.07000   500.000   30.0000   37.1705   0.00482   10.0418   -0.1518   2.16816   37.2748   -0.1043   21.6535   124.10249
 85  1    10.2500   0.07000   700.000   30.0000   37.1771   0.00542   10.4045   -0.1545   2.20691   37.2837   -0.1066   19.6706   123.53003
 86  1    10.6100   0.07000   900.000   30.0000   37.2036   0.00662   10.7394   -0.1294   1.84907   37.2934   -0.0898   13.5575   122.89323
 87  1    10.9600   0.07000   1100.00   30.0000   37.2102   0.00662   11.1039   -0.1439   2.05532   37.3105   -0.1003   15.1382   122.82059
 88  1    11.3500   0.07000   1300.00   30.0000   37.1530   0.00723   11.5609   -0.2109   3.01225   37.2997   -0.1467   20.3051   122.55952
 89  1    11.5900   0.07000   1400.00   30.0000   37.1102   0.00783   11.8101   -0.2201   3.14395   37.2628   -0.1525   19.4858   122.28667
 90  1    11.7800   0.07000   1500.00   30.0000   37.0994   0.00843   12.0129   -0.2329   3.32676   37.2609   -0.1615   19.1590   121.97538
 91  1    12.9500   0.07000   500.000   30.0000   35.5481   0.00783   12.6967   0.25326   3.61804   35.4105   0.13763   17.5801   123.59515
 92  1    13.1200   0.07000   600.000   30.0000   35.4993   0.00843   12.9682   0.15176   2.16802   35.4170   0.08234   9.76592   122.86561
 93  1    13.3300   0.07000   700.000   30.0000   35.4794   0.00783   13.1874   0.14261   2.03728   35.4022   0.07729   9.87200   123.22122
 94  1    13.5600   0.07000   800.000   30.0000   35.4138   0.00843   13.4912   0.06878   0.98263   35.3767   0.03709   4.39883   122.63758
 95  1    13.7700   0.07000   900.000   30.0000   35.3735   0.00843   13.7489   0.02106   0.30080   35.3621   0.01133   1.34381   122.57747
 96  1    13.9800   0.07000   1000.00   30.0000   35.3542   0.00903   13.9678   0.01224   0.17488   35.3476   0.00658   0.72846   121.99551
 97  1    14.2300   0.07000   1100.00   30.0000   35.3156   0.00964   14.2226   0.00737   0.10535   35.3117   0.00394   0.40936   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   2.71572   120.08055
 99  1    14.7500   0.07000   1300.00   30.0000   35.2042   0.00964   14.7980   -0.0480   0.68594   35.2296   -0.0254   2.63751   121.32647
100  1    15.0100   0.07000   1400.00   30.0000   35.1639   0.00964   15.0574   -0.0474   0.67734   35.1889   -0.0250   2.59198   121.30904
<-------------------------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   0.87821   35.1745   -0.0323   3.15903   120.66586
102  1    15.3600   0.07000   1600.00   30.0000   35.1988   0.00903   15.3570   0.00301   0.04305   35.1972   0.00160   0.17694   121.90960
103  1    15.3200   0.07000   1700.00   30.0000   35.3096   0.01024   15.3326   -0.0126   0.17971   35.3164   -0.0068   0.66176   120.74239
104  1    15.1700   0.07000   1800.00   30.0000   35.5457   0.01084   15.0851   0.08495   1.21351   35.4985   0.04717   4.35177   120.24770
105  1    20.3900   0.07000   800.000   30.0000   32.3780   0.00662   20.4934   -0.1034   1.47765   32.4145   -0.0365   5.50291   124.31916
106  1    20.1500   0.07000   500.000   30.0000   32.3244   0.00482   20.1203   0.02965   0.42359   32.3141   0.01031   2.14025   127.58098
107  1    20.2400   0.07000   600.000   30.0000   32.3275   0.00542   20.2867   -0.0467   0.66651   32.3437   -0.0163   3.00112   126.45419
108  1    20.3700   0.07000   700.000   30.0000   32.3660   0.00542   20.3518   0.01815   0.25934   32.3596   0.00636   1.17328   126.27805
109  1    20.4400   0.07000   800.000   30.0000   32.3913   0.00482   20.4558   -0.0158   0.22520   32.3968   -0.0056   1.15366   126.95853
110  1    20.5200   0.07000   900.000   30.0000   32.4383   0.00542   20.4991   0.02091   0.29869   32.4308   0.00742   1.36824   126.07759
111  1    20.4600   0.07000   1000.00   30.0000   32.5099   0.00482   20.4748   -0.0148   0.21131   32.5152   -0.0053   1.10140   126.78897
112  1    20.2500   0.07000   1100.00   30.0000   32.5900   0.00542   20.4298   -0.1798   2.56844   32.6557   -0.0657   12.1164   125.97421
113  1    20.0300   0.07000   1200.00   30.0000   32.7339   0.00662   20.2152   -0.1852   2.64606   32.8031   -0.0692   10.4403   124.27979
114  1    19.7400   0.07000   1300.00   30.0000   32.9321   0.00542   19.8673   -0.1273   1.81841   32.9810   -0.0489   9.01956   125.86073
115  1    19.3700   0.07000   1400.00   30.0000   33.1820   0.00542   19.4043   -0.0343   0.49027   33.1956   -0.0136   2.51830   125.76927
116  1    19.0100   0.07000   1500.00   30.0000   33.5096   0.00662   18.7778   0.23222   3.31740   33.4135   0.09611   14.5082   124.34919
117  1    18.5500   0.07000   1600.00   30.0000   33.8203   0.00602   18.2284   0.32164   4.59486   33.6815   0.13889   23.0625   124.95115
118  1    18.0600   0.07000   1700.00   30.0000   34.1491   0.00602   17.6725   0.38753   5.53619   33.9741   0.17509   29.0751   124.83855
119  1    17.4500   0.07000   1800.00   30.0000   34.4822   0.00903   17.1428   0.30716   4.38802   34.3362   0.14595   16.1571   121.71935
120  1    14.8100   0.07000   500.000   30.0000   34.5821   0.00723   14.5798   0.23017   3.28815   34.4725   0.10967   15.1758   124.34111
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   125.14327

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 121 DATA:
      CHI^2 (WEIGHTED)=   2.1750
      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_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:  13.76(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_precise_theta/fitted.eos


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


EOSFIT-7.6>
***** Macro completed

EOSFIT-7.6>