***********************************************************************************************************************
*                                                                                                                     *
*                                                     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_printed_theta/run.mcr

***** Running macro

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


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


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


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



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

Only data available is for V: This will be selected

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

  THE 121 LOADED DATA ARE AS FOLLOWS:
<------------------------Observed Values-------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)
              GPA                                  CM^3/MOL
  1  1    0.54000   0.00000   300.000   0.00000   49.3096   0.00259
  2  1    1.46000   0.03000   300.000   0.00000   46.9013   0.00283
  3  1    2.64000   0.04000   300.000   0.00000   44.5439   0.00337
  4  1    4.15000   0.06000   300.000   0.00000   42.2292   0.00313
  5  1    6.03000   0.06000   300.000   0.00000   40.1035   0.00379
  6  1    7.83000   0.06000   300.000   0.00000   38.4809   0.00289
  7  1    10.0100   0.03000   300.000   0.00000   36.9276   0.00379
  8  1    11.8400   0.06000   300.000   0.00000   35.8054   0.00301
  9  1    13.4900   0.06000   300.000   0.00000   34.9349   0.00337
 10  1    14.8600   0.03000   300.000   0.00000   34.2741   0.00295
 11  1    16.9700   0.06000   300.000   0.00000   33.3686   0.00343
 12  1    18.7100   0.08000   300.000   0.00000   32.7264   0.00319
 13  1    20.1900   0.00000   300.000   0.00000   32.1839   0.00349
 14  1    22.4900   0.03000   300.000   0.00000   31.4453   0.00313
 15  1    24.3400   0.03000   300.000   0.00000   30.9119   0.00331
 16  1    26.0500   0.02000   300.000   0.00000   30.4264   0.00373
 17  1    2.43000   0.07000   500.000   30.0000   45.7635   0.00662
 18  1    2.66000   0.07000   600.000   30.0000   45.7610   0.00662
 19  1    2.83000   0.07000   700.000   30.0000   45.8008   0.00783
 20  1    2.97000   0.07000   800.000   30.0000   45.9260   0.00783
 21  1    2.96000   0.07000   900.000   30.0000   46.4289   0.00843
 22  1    2.95000   0.07000   1000.00   30.0000   46.7710   0.01144
 23  1    2.92000   0.07000   1100.00   30.0000   47.4412   0.01445
 24  1    2.89000   0.07000   1200.00   30.0000   48.1416   0.01506
 25  1    5.03000   0.07000   500.000   30.0000   41.6485   0.00783
 26  1    5.28000   0.07000   600.000   30.0000   41.5859   0.00783
 27  1    5.40000   0.07000   700.000   30.0000   41.6690   0.00662
 28  1    5.48000   0.07000   800.000   30.0000   41.7882   0.00662
 29  1    5.54000   0.07000   900.000   30.0000   41.9797   0.00723
 30  1    5.56000   0.07000   1000.00   30.0000   42.2802   0.00843
 31  1    5.54000   0.07000   1100.00   30.0000   42.6319   0.00903
 32  1    5.49000   0.07000   1200.00   30.0000   43.0131   0.00843
 33  1    5.44000   0.07000   1300.00   30.0000   43.3998   0.00903
 34  1    5.44000   0.07000   1400.00   30.0000   43.8990   0.01024
 35  1    8.34000   0.07000   500.000   30.0000   38.4965   0.01265
 36  1    8.30000   0.07000   600.000   30.0000   38.7133   0.01024
 37  1    8.30000   0.07000   700.000   30.0000   38.8561   0.00843
 38  1    8.29000   0.07000   800.000   30.0000   39.0355   0.00723
 39  1    8.25000   0.07000   900.000   30.0000   39.2523   0.00662
 40  1    8.17000   0.07000   1000.00   30.0000   39.4932   0.00662
 41  1    8.10000   0.07000   1100.00   30.0000   39.7485   0.00602
 42  1    7.98000   0.07000   1200.00   30.0000   40.0773   0.00723
 43  1    7.77000   0.07000   1300.00   30.0000   40.5959   0.00783
 44  1    7.53000   0.07000   1400.00   30.0000   41.1077   0.00903
 45  1    7.29000   0.07000   1500.00   30.0000   41.5546   0.00903
 46  1    6.95000   0.07000   1600.00   30.0000   42.0779   0.01265
 47  1    6.71000   0.07000   1700.00   30.0000   42.7313   0.01084
 48  1    5.93000   0.07000   500.000   30.0000   40.5669   0.00783
 49  1    6.18000   0.07000   600.000   30.0000   40.5007   0.00783
 50  1    6.32000   0.07000   700.000   30.0000   40.4537   0.00783
<------------------------Observed Values-------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)
              GPA                                  CM^3/MOL
 51  1    6.53000   0.07000   800.000   30.0000   40.3941   0.00843
 52  1    6.76000   0.07000   900.000   30.0000   40.3261   0.00783
 53  1    7.03000   0.07000   1000.00   30.0000   40.2990   0.00783
 54  1    7.38000   0.07000   1100.00   30.0000   40.1942   0.00783
 55  1    7.71000   0.07000   1200.00   30.0000   40.0653   0.00723
 56  1    8.04000   0.07000   1300.00   30.0000   39.9310   0.00662
 57  1    8.35000   0.07000   1400.00   30.0000   39.8870   0.00602
 58  1    8.73000   0.07000   1500.00   30.0000   39.8720   0.00602
 59  1    8.71000   0.07000   1600.00   30.0000   39.9226   0.00662
 60  1    8.71000   0.07000   1700.00   30.0000   40.0611   0.00662
 61  1    8.62000   0.07000   1800.00   30.0000   40.1803   0.00843
 62  1    7.32000   0.07000   600.000   30.0000   39.3908   0.00482
 63  1    7.52000   0.07000   700.000   30.0000   39.3685   0.00542
 64  1    7.78000   0.07000   800.000   30.0000   39.3324   0.00542
 65  1    8.03000   0.07000   900.000   30.0000   39.2921   0.00602
 66  1    8.26000   0.07000   1000.00   30.0000   39.2029   0.00602
 67  1    8.59000   0.07000   1100.00   30.0000   39.1108   0.00602
 68  1    8.95000   0.07000   1200.00   30.0000   38.9705   0.00602
 69  1    9.32000   0.07000   1300.00   30.0000   38.8494   0.00662
 70  1    9.66000   0.07000   1400.00   30.0000   38.7537   0.00662
 71  1    10.0200   0.07000   1500.00   30.0000   38.6736   0.00964
 72  1    10.3000   0.07000   1600.00   30.0000   38.5953   0.00723
 73  1    10.4700   0.07000   1700.00   30.0000   38.5574   0.00723
 74  1    10.6100   0.07000   1800.00   30.0000   38.5826   0.00903
 75  1    12.5300   0.07000   500.000   30.0000   35.5180   0.01265
 76  1    12.9200   0.07000   700.000   30.0000   35.5144   0.01204
 77  1    13.1700   0.07000   900.000   30.0000   35.5517   0.00783
 78  1    13.6100   0.07000   1100.00   30.0000   35.5668   0.00723
 79  1    13.4700   0.07000   1300.00   30.0000   35.9148   0.00843
 80  1    13.1400   0.07000   1400.00   30.0000   36.1876   0.00783
 81  1    12.9700   0.07000   1500.00   30.0000   36.4430   0.00964
 82  1    12.6200   0.07000   1600.00   30.0000   36.8585   0.00723
 83  1    12.2400   0.07000   1700.00   30.0000   37.1735   0.01024
 84  1    9.89000   0.07000   500.000   30.0000   37.1705   0.00482
 85  1    10.2500   0.07000   700.000   30.0000   37.1771   0.00542
 86  1    10.6100   0.07000   900.000   30.0000   37.2036   0.00662
 87  1    10.9600   0.07000   1100.00   30.0000   37.2102   0.00662
 88  1    11.3500   0.07000   1300.00   30.0000   37.1530   0.00723
 89  1    11.5900   0.07000   1400.00   30.0000   37.1102   0.00783
 90  1    11.7800   0.07000   1500.00   30.0000   37.0994   0.00843
 91  1    12.9500   0.07000   500.000   30.0000   35.5481   0.00783
 92  1    13.1200   0.07000   600.000   30.0000   35.4993   0.00843
 93  1    13.3300   0.07000   700.000   30.0000   35.4794   0.00783
 94  1    13.5600   0.07000   800.000   30.0000   35.4138   0.00843
 95  1    13.7700   0.07000   900.000   30.0000   35.3735   0.00843
 96  1    13.9800   0.07000   1000.00   30.0000   35.3542   0.00903
 97  1    14.2300   0.07000   1100.00   30.0000   35.3156   0.00964
 98  1    14.4700   0.07000   1200.00   30.0000   35.2518   0.01084
 99  1    14.7500   0.07000   1300.00   30.0000   35.2042   0.00964
100  1    15.0100   0.07000   1400.00   30.0000   35.1639   0.00964
<------------------------Observed Values-------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)
              GPA                                  CM^3/MOL
101  1    15.2200   0.07000   1500.00   30.0000   35.1422   0.01024
102  1    15.3600   0.07000   1600.00   30.0000   35.1988   0.00903
103  1    15.3200   0.07000   1700.00   30.0000   35.3096   0.01024
104  1    15.1700   0.07000   1800.00   30.0000   35.5457   0.01084
105  1    20.3900   0.07000   800.000   30.0000   32.3780   0.00662
106  1    20.1500   0.07000   500.000   30.0000   32.3244   0.00482
107  1    20.2400   0.07000   600.000   30.0000   32.3275   0.00542
108  1    20.3700   0.07000   700.000   30.0000   32.3660   0.00542
109  1    20.4400   0.07000   800.000   30.0000   32.3913   0.00482
110  1    20.5200   0.07000   900.000   30.0000   32.4383   0.00542
111  1    20.4600   0.07000   1000.00   30.0000   32.5099   0.00482
112  1    20.2500   0.07000   1100.00   30.0000   32.5900   0.00542
113  1    20.0300   0.07000   1200.00   30.0000   32.7339   0.00662
114  1    19.7400   0.07000   1300.00   30.0000   32.9321   0.00542
115  1    19.3700   0.07000   1400.00   30.0000   33.1820   0.00542
116  1    19.0100   0.07000   1500.00   30.0000   33.5096   0.00662
117  1    18.5500   0.07000   1600.00   30.0000   33.8203   0.00602
118  1    18.0600   0.07000   1700.00   30.0000   34.1491   0.00602
119  1    17.4500   0.07000   1800.00   30.0000   34.4822   0.00903
120  1    14.8100   0.07000   500.000   30.0000   34.5821   0.00723
121  1    16.2300   0.07000   1300.00   30.0000   34.6068   0.00542

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

EOSFIT-7.6>input

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


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


INPUT EOS>pr

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

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

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


INPUT EOS PARAMETERS, <CR> FOR NO CHANGE:
          VALUE OF V0    (     1.000):51.11
          VALUE OF K0    (    10.000):13.69
          VALUE OF Kp    (     4.000):4.95
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  51.1100           :Reference pressure volume: units as volume data
      K0:  13.6900           :Bulk modulus: same units as pressure data
      Kp:  4.95000           :dK/dP: dimensionless
     Kpp: -0.4194            :d2K/dP2: inverse pressure units [IMPLIED VALUE]
 
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

INPUT EOS>th

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

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

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


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

    Reference temperature ( 298.0K):300

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

    Reference pressure volume: units as volume data:
                    VALUE OF V0    (    51.110):51.11
    Debye temperature in K:
                    VALUE OF ThMGD (   298.000):118.0
    Number of atoms per formula unit:
                    VALUE OF Natom (     1.000):2

*****INFORMATION*****

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

    Gruneisen parameter at Tref,Pref:
                    VALUE OF Gamm0 (     1.000):2.21
    Gruneisen power law in V/V0:
                    VALUE OF q     (     0.000):1.42

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

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

 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  51.1100           :Reference pressure volume: units as volume data
      K0:  13.6900           :Bulk modulus: same units as pressure data
      Kp:  4.95000           :dK/dP: dimensionless
     Kpp: -0.4194            :d2K/dP2: inverse pressure units [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  118.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.21000           :Gruneisen parameter at Tref,Pref
       q:  1.42000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

INPUT EOS>pscale

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

     No pressure scale name has been set

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

     The pressure scale name is: GPa

 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Pscale: GPa
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  51.1100           :Reference pressure volume: units as volume data
      K0:  13.6900           :Bulk modulus: units are GPa
      Kp:  4.95000           :dK/dP: dimensionless
     Kpp: -0.4194            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  118.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.21000           :Gruneisen parameter at Tref,Pref
       q:  1.42000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

INPUT EOS>vscale

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

     No volume/linear scale name has been set

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

     The volume scale name is: cm^3/mol

 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  51.1100           :Reference pressure volume: units are cm^3/mol
      K0:  13.6900           :Bulk modulus: units are GPa
      Kp:  4.95000           :dK/dP: dimensionless
     Kpp: -0.4194            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  118.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.21000           :Gruneisen parameter at Tref,Pref
       q:  1.42000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

INPUT EOS>x

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


EOSFIT-7.6>save /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-eosfit7c/rbi/weighted_printed_theta/initial.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  51.1100           :Reference pressure volume: units are cm^3/mol
      K0:  13.6900           :Bulk modulus: units are GPa
      Kp:  4.95000           :dK/dP: dimensionless
     Kpp: -0.4194            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  118.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.21000           :Gruneisen parameter at Tref,Pref
       q:  1.42000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

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


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


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


EOSFIT-7.6>list

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

  THE 121 LOADED DATA ARE AS FOLLOWS:
<-------------------------Observed Values---------------------------><----------------Calculated Values ----------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd
              GPA                                  CM^3/MOL               GPa                       cm^3/mol
  1  1    0.54000   0.00000   300.000   0.00000   49.3096   0.00259   0.53654   0.00346       INF   49.2992   0.01047   4.04227
  2  1    1.46000   0.03000   300.000   0.00000   46.9013   0.00283   1.45596   0.00404   0.13457   46.8921   0.00921   3.25348
  3  1    2.64000   0.04000   300.000   0.00000   44.5439   0.00337   2.64876   -0.0088   0.21912   44.5590   -0.0151   4.47710
  4  1    4.15000   0.06000   300.000   0.00000   42.2292   0.00313   4.20044   -0.0504   0.84066   42.2950   -0.0658   21.0097
  5  1    6.03000   0.06000   300.000   0.00000   40.1035   0.00379   6.07333   -0.0433   0.72209   40.1468   -0.0433   11.4060
  6  1    7.83000   0.06000   300.000   0.00000   38.4809   0.00289   7.88337   -0.0534   0.88941   38.5242   -0.0433   14.9783
  7  1    10.0100   0.03000   300.000   0.00000   36.9276   0.00379   10.0125   -0.0025   0.08262   36.9293   -0.0016   0.43034
  8  1    11.8400   0.06000   300.000   0.00000   35.8054   0.00301   11.8488   -0.0088   0.14744   35.8104   -0.0050   1.66596
  9  1    13.4900   0.06000   300.000   0.00000   34.9349   0.00337   13.4790   0.01098   0.18304   34.9293   0.00552   1.63791
 10  1    14.8600   0.03000   300.000   0.00000   34.2741   0.00295   14.8541   0.00592   0.19741   34.2714   0.00272   0.92043
 11  1    16.9700   0.06000   300.000   0.00000   33.3686   0.00343   16.9582   0.01180   0.19668   33.3638   0.00477   1.38913
 12  1    18.7100   0.08000   300.000   0.00000   32.7264   0.00319   18.6241   0.08595   1.07431   32.6948   0.03157   9.89250
 13  1    20.1900   0.00000   300.000   0.00000   32.1839   0.00349   20.1571   0.03287       INF   32.1728   0.01117   3.19890
 14  1    22.4900   0.03000   300.000   0.00000   31.4453   0.00313   22.4513   0.03873   1.29089   31.4335   0.01180   3.76717
 15  1    24.3400   0.03000   300.000   0.00000   30.9119   0.00331   24.2721   0.06786   2.26192   30.8928   0.01907   5.75744
 16  1    26.0500   0.02000   300.000   0.00000   30.4264   0.00373   26.0620   -0.0120   0.59910   30.4296   -0.0031   0.83880
 17  1    2.43000   0.07000   500.000   30.0000   45.7635   0.00662   2.39883   0.03117   0.44531   45.7011   0.06239   9.41818
 18  1    2.66000   0.07000   600.000   30.0000   45.7610   0.00662   2.60519   0.05481   0.78297   45.6513   0.10978   16.5727
 19  1    2.83000   0.07000   700.000   30.0000   45.8008   0.00783   2.79098   0.03902   0.55743   45.7218   0.07899   10.0893
 20  1    2.97000   0.07000   800.000   30.0000   45.9260   0.00783   2.93568   0.03432   0.49022   45.8552   0.07083   9.04755
 21  1    2.96000   0.07000   900.000   30.0000   46.4289   0.00843   2.90722   0.05278   0.75398   46.3130   0.11594   13.7521
 22  1    2.95000   0.07000   1000.00   30.0000   46.7710   0.01144   2.96334   -0.0133   0.19053   46.8019   -0.0309   2.70481
 23  1    2.92000   0.07000   1100.00   30.0000   47.4412   0.01445   2.89427   0.02573   0.36763   47.3765   0.06470   4.47661
 24  1    2.89000   0.07000   1200.00   30.0000   48.1416   0.01506   2.83849   0.05151   0.73583   48.0005   0.14108   9.37068
 25  1    5.03000   0.07000   500.000   30.0000   41.6485   0.00783   5.05570   -0.0257   0.36716   41.6798   -0.0313   3.99753
 26  1    5.28000   0.07000   600.000   30.0000   41.5859   0.00783   5.30422   -0.0242   0.34600   41.6152   -0.0293   3.74707
 27  1    5.40000   0.07000   700.000   30.0000   41.6690   0.00662   5.43310   -0.0331   0.47279   41.7096   -0.0406   6.13405
 28  1    5.48000   0.07000   800.000   30.0000   41.7882   0.00662   5.53412   -0.0541   0.77318   41.8560   -0.0677   10.2255
 29  1    5.54000   0.07000   900.000   30.0000   41.9797   0.00723   5.58046   -0.0405   0.57802   42.0317   -0.0519   7.18855
 30  1    5.56000   0.07000   1000.00   30.0000   42.2802   0.00843   5.54887   0.01113   0.15896   42.2654   0.01481   1.75645
 31  1    5.54000   0.07000   1100.00   30.0000   42.6319   0.00903   5.49025   0.04975   0.71069   42.5628   0.06915   7.65540
 32  1    5.49000   0.07000   1200.00   30.0000   43.0131   0.00843   5.42403   0.06597   0.94244   42.9168   0.09629   11.4210
 33  1    5.44000   0.07000   1300.00   30.0000   43.3998   0.00903   5.36822   0.07178   1.02549   43.2896   0.11020   12.1989
 34  1    5.44000   0.07000   1400.00   30.0000   43.8990   0.01024   5.25732   0.18268   2.60968   43.6030   0.29595   28.9082
 35  1    8.34000   0.07000   500.000   30.0000   38.4965   0.01265   8.24208   0.09791   1.39878   38.4173   0.07925   6.26689
 36  1    8.30000   0.07000   600.000   30.0000   38.7133   0.01024   8.17007   0.12993   1.85618   38.6052   0.10817   10.5662
 37  1    8.30000   0.07000   700.000   30.0000   38.8561   0.00843   8.19278   0.10722   1.53175   38.7649   0.09121   10.8179
 38  1    8.29000   0.07000   800.000   30.0000   39.0355   0.00723   8.17743   0.11257   1.60809   38.9374   0.09814   13.5811
 39  1    8.25000   0.07000   900.000   30.0000   39.2523   0.00662   8.12636   0.12364   1.76629   39.1413   0.11099   16.7552
 40  1    8.17000   0.07000   1000.00   30.0000   39.4932   0.00662   8.05722   0.11278   1.61116   39.3885   0.10469   15.8039
 41  1    8.10000   0.07000   1100.00   30.0000   39.7485   0.00602   7.98223   0.11777   1.68239   39.6354   0.11316   18.7899
 42  1    7.98000   0.07000   1200.00   30.0000   40.0773   0.00723   7.84411   0.13589   1.94122   39.9411   0.13630   18.8603
 43  1    7.77000   0.07000   1300.00   30.0000   40.5959   0.00783   7.54400   0.22600   3.22851   40.3547   0.24120   30.8088
 44  1    7.53000   0.07000   1400.00   30.0000   41.1077   0.00903   7.28361   0.24639   3.51988   40.8270   0.28074   31.0785
 45  1    7.29000   0.07000   1500.00   30.0000   41.5546   0.00903   7.10680   0.18320   2.61707   41.3322   0.22237   24.6165
 46  1    6.95000   0.07000   1600.00   30.0000   42.0779   0.01265   6.89428   0.05572   0.79604   42.0047   0.07318   5.78667
 47  1    6.71000   0.07000   1700.00   30.0000   42.7313   0.01084   6.61906   0.09094   1.29916   42.6016   0.12967   11.9626
 48  1    5.93000   0.07000   500.000   30.0000   40.5669   0.00783   6.00870   -0.0787   1.12425   40.6509   -0.0840   10.7233
 49  1    6.18000   0.07000   600.000   30.0000   40.5007   0.00783   6.26592   -0.0859   1.22737   40.5918   -0.0911   11.6408
 50  1    6.32000   0.07000   700.000   30.0000   40.4537   0.00783   6.50534   -0.1853   2.64768   40.6509   -0.1972   25.1848
<-------------------------Observed Values---------------------------><----------------Calculated Values ----------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd
              GPA                                  CM^3/MOL               GPa                       cm^3/mol
 51  1    6.53000   0.07000   800.000   30.0000   40.3941   0.00843   6.75712   -0.2271   3.24459   40.6351   -0.2410   28.5829
 52  1    6.76000   0.07000   900.000   30.0000   40.3261   0.00783   7.01734   -0.2573   3.67624   40.5979   -0.2718   34.7187
 53  1    7.03000   0.07000   1000.00   30.0000   40.2990   0.00783   7.23833   -0.2083   2.97613   40.5180   -0.2190   27.9754
 54  1    7.38000   0.07000   1100.00   30.0000   40.1942   0.00783   7.53477   -0.1548   2.21101   40.3545   -0.1603   20.4744
 55  1    7.71000   0.07000   1200.00   30.0000   40.0653   0.00723   7.85602   -0.1460   2.08601   40.2142   -0.1489   20.6097
 56  1    8.04000   0.07000   1300.00   30.0000   39.9310   0.00662   8.18435   -0.1443   2.06212   40.0760   -0.1450   21.8850
 57  1    8.35000   0.07000   1400.00   30.0000   39.8870   0.00602   8.42284   -0.0728   1.04058   39.9596   -0.0725   12.0462
 58  1    8.73000   0.07000   1500.00   30.0000   39.8720   0.00602   8.63221   0.09779   1.39694   39.7757   0.09634   15.9977
 59  1    8.71000   0.07000   1600.00   30.0000   39.9226   0.00662   8.77566   -0.0657   0.93794   39.9885   -0.0659   9.95431
 60  1    8.71000   0.07000   1700.00   30.0000   40.0611   0.00662   8.83299   -0.1230   1.75705   40.1876   -0.1265   19.1001
 61  1    8.62000   0.07000   1800.00   30.0000   40.1803   0.00843   8.91189   -0.2919   4.16983   40.4896   -0.3092   36.6797
 62  1    7.32000   0.07000   600.000   30.0000   39.3908   0.00482   7.39644   -0.0764   1.09195   39.4611   -0.0703   14.5859
 63  1    7.52000   0.07000   700.000   30.0000   39.3685   0.00542   7.61328   -0.0933   1.33259   39.4543   -0.0858   15.8249
 64  1    7.78000   0.07000   800.000   30.0000   39.3324   0.00542   7.84550   -0.0655   0.93572   39.3924   -0.0600   11.0614
 65  1    8.03000   0.07000   900.000   30.0000   39.2921   0.00602   8.08252   -0.0525   0.75026   39.3399   -0.0479   7.94911
 66  1    8.26000   0.07000   1000.00   30.0000   39.2029   0.00602   8.37372   -0.1137   1.62454   39.3060   -0.1030   17.1094
 67  1    8.59000   0.07000   1100.00   30.0000   39.1108   0.00602   8.66915   -0.0791   1.13066   39.1816   -0.0708   11.7643
 68  1    8.95000   0.07000   1200.00   30.0000   38.9705   0.00602   9.02028   -0.0703   1.00400   39.0323   -0.0618   10.2694
 69  1    9.32000   0.07000   1300.00   30.0000   38.8494   0.00662   9.35148   -0.0315   0.44974   38.8767   -0.0273   4.11452
 70  1    9.66000   0.07000   1400.00   30.0000   38.7537   0.00662   9.65481   0.00519   0.07418   38.7492   0.00444   0.66972
 71  1    10.0200   0.07000   1500.00   30.0000   38.6736   0.00964   9.94067   0.07933   1.13328   38.6067   0.06693   6.94613
 72  1    10.3000   0.07000   1600.00   30.0000   38.5953   0.00723   10.2251   0.07494   1.07051   38.5326   0.06270   8.67662
 73  1    10.4700   0.07000   1700.00   30.0000   38.5574   0.00723   10.4618   0.00818   0.11689   38.5505   0.00685   0.94806
 74  1    10.6100   0.07000   1800.00   30.0000   38.5826   0.00903   10.6232   -0.0132   0.18887   38.5938   -0.0111   1.23311
 75  1    12.5300   0.07000   500.000   30.0000   35.5180   0.01265   12.7300   -0.2000   2.85660   35.6281   -0.1101   8.70927
 76  1    12.9200   0.07000   700.000   30.0000   35.5144   0.01204   13.1042   -0.1842   2.63188   35.6160   -0.1016   8.43686
 77  1    13.1700   0.07000   900.000   30.0000   35.5517   0.00783   13.4052   -0.2352   3.36016   35.6827   -0.1310   16.7327
 78  1    13.6100   0.07000   1100.00   30.0000   35.5668   0.00723   13.7475   -0.1375   1.96427   35.6434   -0.0766   10.6060
 79  1    13.4700   0.07000   1300.00   30.0000   35.9148   0.00843   13.5059   -0.0359   0.51271   35.9358   -0.0210   2.48537
 80  1    13.1400   0.07000   1400.00   30.0000   36.1876   0.00783   13.2330   -0.0930   1.32893   36.2443   -0.0566   7.23054
 81  1    12.9700   0.07000   1500.00   30.0000   36.4430   0.00964   13.0060   -0.0360   0.51361   36.4656   -0.0226   2.34810
 82  1    12.6200   0.07000   1600.00   30.0000   36.8585   0.00723   12.5510   0.06904   0.98626   36.8127   0.04583   6.34237
 83  1    12.2400   0.07000   1700.00   30.0000   37.1735   0.01024   12.2765   -0.0365   0.52132   37.1989   -0.0254   2.48534
 84  1    9.89000   0.07000   500.000   30.0000   37.1705   0.00482   10.0222   -0.1322   1.88912   37.2614   -0.0909   18.8695
 85  1    10.2500   0.07000   700.000   30.0000   37.1771   0.00542   10.3876   -0.1376   1.96626   37.2721   -0.0950   17.5324
 86  1    10.6100   0.07000   900.000   30.0000   37.2036   0.00662   10.7253   -0.1153   1.64751   37.2836   -0.0801   12.0861
 87  1    10.9600   0.07000   1100.00   30.0000   37.2102   0.00662   11.0925   -0.1325   1.89253   37.3026   -0.0924   13.9485
 88  1    11.3500   0.07000   1300.00   30.0000   37.1530   0.00723   11.5521   -0.2021   2.88670   37.2937   -0.1407   19.4753
 89  1    11.5900   0.07000   1400.00   30.0000   37.1102   0.00783   11.8026   -0.2126   3.03665   37.2577   -0.1475   18.8382
 90  1    11.7800   0.07000   1500.00   30.0000   37.0994   0.00843   12.0067   -0.2267   3.23851   37.2568   -0.1574   18.6681
 91  1    12.9500   0.07000   500.000   30.0000   35.5481   0.00783   12.6750   0.27501   3.92877   35.3987   0.14943   19.0872
 92  1    13.1200   0.07000   600.000   30.0000   35.4993   0.00843   12.9477   0.17228   2.46116   35.4059   0.09345   11.0844
 93  1    13.3300   0.07000   700.000   30.0000   35.4794   0.00783   13.1681   0.16186   2.31227   35.3917   0.08771   11.2037
 94  1    13.5600   0.07000   800.000   30.0000   35.4138   0.00843   13.4732   0.08681   1.24017   35.3670   0.04681   5.55170
 95  1    13.7700   0.07000   900.000   30.0000   35.3735   0.00843   13.7322   0.03783   0.54049   35.3531   0.02035   2.41388
 96  1    13.9800   0.07000   1000.00   30.0000   35.3542   0.00903   13.9523   0.02774   0.39632   35.3393   0.01491   1.65034
 97  1    14.2300   0.07000   1100.00   30.0000   35.3156   0.00964   14.2084   0.02162   0.30890   35.3041   0.01158   1.20157
 98  1    14.4700   0.07000   1200.00   30.0000   35.2518   0.01084   14.5123   -0.0423   0.60404   35.2743   -0.0225   2.07629
 99  1    14.7500   0.07000   1300.00   30.0000   35.2042   0.00964   14.7862   -0.0362   0.51756   35.2234   -0.0192   1.99060
100  1    15.0100   0.07000   1400.00   30.0000   35.1639   0.00964   15.0469   -0.0369   0.52680   35.1833   -0.0194   2.01594
<-------------------------Observed Values---------------------------><----------------Calculated Values ----------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd
              GPA                                  CM^3/MOL               GPa                       cm^3/mol
101  1    15.2200   0.07000   1500.00   30.0000   35.1422   0.01024   15.2722   -0.0522   0.74584   35.1697   -0.0275   2.68395
102  1    15.3600   0.07000   1600.00   30.0000   35.1988   0.00903   15.3491   0.01090   0.15572   35.1930   0.00579   0.64062
103  1    15.3200   0.07000   1700.00   30.0000   35.3096   0.01024   15.3262   -0.0062   0.08786   35.3129   -0.0033   0.32418
104  1    15.1700   0.07000   1800.00   30.0000   35.5457   0.01084   15.0803   0.08972   1.28168   35.4958   0.04986   4.59952
105  1    20.3900   0.07000   800.000   30.0000   32.3780   0.00662   20.4737   -0.0837   1.19574   32.4075   -0.0295   4.45082
106  1    20.1500   0.07000   500.000   30.0000   32.3244   0.00482   20.0970   0.05297   0.75678   32.3060   0.01840   3.81968
107  1    20.2400   0.07000   600.000   30.0000   32.3275   0.00542   20.2645   -0.0245   0.35038   32.3360   -0.0085   1.57728
108  1    20.3700   0.07000   700.000   30.0000   32.3660   0.00542   20.3309   0.03909   0.55847   32.3523   0.01369   2.52534
109  1    20.4400   0.07000   800.000   30.0000   32.3913   0.00482   20.4360   0.00397   0.05670   32.3899   0.00140   0.29059
110  1    20.5200   0.07000   900.000   30.0000   32.4383   0.00542   20.4806   0.03944   0.56343   32.4243   0.01398   2.57953
111  1    20.4600   0.07000   1000.00   30.0000   32.5099   0.00482   20.4575   0.00253   0.03621   32.5090   0.00091   0.18924
112  1    20.2500   0.07000   1100.00   30.0000   32.5900   0.00542   20.4137   -0.1637   2.33833   32.6498   -0.0598   11.0262
113  1    20.0300   0.07000   1200.00   30.0000   32.7339   0.00662   20.2003   -0.1703   2.43348   32.7975   -0.0636   9.59785
114  1    19.7400   0.07000   1300.00   30.0000   32.9321   0.00542   19.8537   -0.1137   1.62386   32.9757   -0.0436   8.05250
115  1    19.3700   0.07000   1400.00   30.0000   33.1820   0.00542   19.3920   -0.0220   0.31455   33.1907   -0.0088   1.61458
116  1    19.0100   0.07000   1500.00   30.0000   33.5096   0.00662   18.7669   0.24310   3.47287   33.4090   0.10060   15.1866
117  1    18.5500   0.07000   1600.00   30.0000   33.8203   0.00602   18.2190   0.33104   4.72916   33.6774   0.14295   23.7377
118  1    18.0600   0.07000   1700.00   30.0000   34.1491   0.00602   17.6646   0.39537   5.64820   33.9705   0.17867   29.6687
119  1    17.4500   0.07000   1800.00   30.0000   34.4822   0.00903   17.1366   0.31337   4.47666   34.3332   0.14894   16.4886
120  1    14.8100   0.07000   500.000   30.0000   34.5821   0.00723   14.5571   0.25290   3.61285   34.4617   0.12045   16.6681
121  1    16.2300   0.07000   1300.00   30.0000   34.6068   0.00542   15.9648   0.26517   3.78810   34.4790   0.12778   23.5768

EOSFIT-7.6>fit
     121 data for V will be used in least-squares
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 09:36
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  51.1100           :Reference pressure volume: units are cm^3/mol
      K0:  13.6900           :Bulk modulus: units are GPa
      Kp:  4.95000           :dK/dP: dimensionless
     Kpp: -0.4194            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  118.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.21000           :Gruneisen parameter at Tref,Pref
       q:  1.42000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 
    Do you want to change these EoS parameters or the EoS type? (Y/N) <N>?n

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

 SELECT WEIGHTING SCHEME:
     SIGMAS FOR P   PRESENT, USE IN WEIGHTS (Y/N)?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       118.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.19256         -0.01744          0.06347          -0.27
 q       1         1.41789         -0.00211          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         -0.00030          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       118.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.19265          0.00009          0.06105           0.00
 q       1         1.41791          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)


   RESULTS FROM CYCLE  3
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        51.11000  [NOT REFINED]
 K0      1        13.75501          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       118.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.19266          0.00001          0.06105           0.00
 q       1         1.41793          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        13.75501          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       118.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.19266          0.00001          0.06105           0.00
 q       1         1.41793          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   1.24185   1352345.6
  2  1    1.46000   0.03000   300.000   0.00000   46.9013   0.00283   1.46188   -0.0019   0.06263   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   0.46149   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   1.06817   42.3127   -0.0835   26.6644   277.32669
  5  1    6.03000   0.06000   300.000   0.00000   40.1035   0.00379   6.09069   -0.0607   1.01149   40.1641   -0.0606   15.9668   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   0.83307   36.9441   -0.0165   4.34664   1071.6807
  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   275.61905
  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   0.64990   34.2831   -0.0090   3.03537   1062.1763
 11  1    16.9700   0.06000   300.000   0.00000   33.3686   0.00343   16.9840   -0.0140   0.23340   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   0.75181   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   0.00249   0.71208   9496.7559
 14  1    22.4900   0.03000   300.000   0.00000   31.4453   0.00313   22.4761   0.01385   0.46177   31.4410   0.00423   1.34973   994.38019
 15  1    24.3400   0.03000   300.000   0.00000   30.9119   0.00331   24.2962   0.04382   1.46065   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   1.74856   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   0.37961   45.7104   0.05303   8.00560   115.76178
 18  1    2.66000   0.07000   600.000   30.0000   45.7610   0.00662   2.60823   0.05176   0.73950   45.6577   0.10338   15.6058   115.64268
 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   115.47724
 20  1    2.97000   0.07000   800.000   30.0000   45.9260   0.00783   2.93532   0.03468   0.49548   45.8547   0.07133   9.11187   115.31947
 21  1    2.96000   0.07000   900.000   30.0000   46.4289   0.00843   2.90442   0.05558   0.79406   46.3073   0.12161   14.4245   114.82208
 22  1    2.95000   0.07000   1000.00   30.0000   46.7710   0.01144   2.95836   -0.0084   0.11943   46.7903   -0.0193   1.68763   114.35941
 23  1    2.92000   0.07000   1100.00   30.0000   47.4412   0.01445   2.88655   0.03345   0.47791   47.3576   0.08365   5.78784   113.63450
 24  1    2.89000   0.07000   1200.00   30.0000   48.1416   0.01506   2.82798   0.06202   0.88604   47.9728   0.16881   11.2127   113.04675
 25  1    5.03000   0.07000   500.000   30.0000   41.6485   0.00783   5.06748   -0.0375   0.53544   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   0.49512   41.6278   -0.0419   5.35505   119.28288
 27  1    5.40000   0.07000   700.000   30.0000   41.6690   0.00662   5.44192   -0.0419   0.59887   41.7204   -0.0514   7.75798   119.27552
 28  1    5.48000   0.07000   800.000   30.0000   41.7882   0.00662   5.54126   -0.0613   0.87517   41.8648   -0.0765   11.5529   119.10365
 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   118.81597
 30  1    5.56000   0.07000   1000.00   30.0000   42.2802   0.00843   5.55213   0.00787   0.11245   42.2698   0.01045   1.23929   118.37141
 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   117.97777
 32  1    5.49000   0.07000   1200.00   30.0000   43.0131   0.00843   5.42288   0.06712   0.95882   42.9155   0.09767   11.5848   117.71625
 33  1    5.44000   0.07000   1300.00   30.0000   43.3998   0.00903   5.36481   0.07519   1.07418   43.2847   0.11504   12.7356   117.31377
 34  1    5.44000   0.07000   1400.00   30.0000   43.8990   0.01024   5.25142   0.18858   2.69403   43.5946   0.30439   29.7328   116.76868
 35  1    8.34000   0.07000   500.000   30.0000   38.4965   0.01265   8.25946   0.08053   1.15050   38.4314   0.06516   5.15232   119.79847
 36  1    8.30000   0.07000   600.000   30.0000   38.7133   0.01024   8.18570   0.11430   1.63287   38.6182   0.09510   9.28892   120.70789
 37  1    8.30000   0.07000   700.000   30.0000   38.8561   0.00843   8.20677   0.09323   1.33181   38.7768   0.07924   9.39897   121.19734
 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   121.35806
 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   121.28218
 40  1    8.17000   0.07000   1000.00   30.0000   39.4932   0.00662   8.06584   0.10416   1.48799   39.3966   0.09657   14.5773   121.04195
 41  1    8.10000   0.07000   1100.00   30.0000   39.7485   0.00602   7.98895   0.11105   1.58640   39.6420   0.10654   17.6921   120.91860
 42  1    7.98000   0.07000   1200.00   30.0000   40.0773   0.00723   7.84877   0.13123   1.87473   39.9459   0.13141   18.1846   120.37848
 43  1    7.77000   0.07000   1300.00   30.0000   40.5959   0.00783   7.54619   0.22381   3.19724   40.3575   0.23839   30.4502   119.81857
 44  1    7.53000   0.07000   1400.00   30.0000   41.1077   0.00903   7.28332   0.24668   3.52404   40.8273   0.28043   31.0439   119.17054
 45  1    7.29000   0.07000   1500.00   30.0000   41.5546   0.00903   7.10414   0.18586   2.65517   41.3296   0.22499   24.9075   118.81570
 46  1    6.95000   0.07000   1600.00   30.0000   42.0779   0.01265   6.88906   0.06094   0.87060   41.9981   0.07979   6.30912   117.76176
 47  1    6.71000   0.07000   1700.00   30.0000   42.7313   0.01084   6.61099   0.09901   1.41437   42.5906   0.14066   12.9758   117.60835
 48  1    5.93000   0.07000   500.000   30.0000   40.5669   0.00783   6.02243   -0.0924   1.32042   40.6654   -0.0985   12.5812   120.32705
 49  1    6.18000   0.07000   600.000   30.0000   40.5007   0.00783   6.27834   -0.0983   1.40488   40.6049   -0.1042   13.3097   120.20773
 50  1    6.32000   0.07000   700.000   30.0000   40.4537   0.00783   6.51642   -0.1964   2.80600   40.6624   -0.2087   26.6573   120.13928
<-------------------------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   6.76688   -0.2369   3.38407   40.6451   -0.2510   29.7710   119.98766
 52  1    6.76000   0.07000   900.000   30.0000   40.3261   0.00783   7.02580   -0.2658   3.79712   40.6064   -0.2803   35.8072   120.12405
 53  1    7.03000   0.07000   1000.00   30.0000   40.2990   0.00783   7.24541   -0.2154   3.07729   40.5251   -0.2261   28.8812   120.11338
 54  1    7.38000   0.07000   1100.00   30.0000   40.1942   0.00783   7.54062   -0.1606   2.29464   40.3603   -0.1661   21.2136   120.17654
 55  1    7.71000   0.07000   1200.00   30.0000   40.0653   0.00723   7.86070   -0.1507   2.15283   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   2.11238   40.0793   -0.1482   22.3785   120.61024
 57  1    8.35000   0.07000   1400.00   30.0000   39.8870   0.00602   8.42502   -0.0750   1.07177   39.9616   -0.0746   12.3851   120.74906
 58  1    8.73000   0.07000   1500.00   30.0000   39.8720   0.00602   8.63301   0.09699   1.38563   39.7766   0.09538   15.8374   120.75396
 59  1    8.71000   0.07000   1600.00   30.0000   39.9226   0.00662   8.77492   -0.0649   0.92739   39.9876   -0.0651   9.82128   120.59298
 60  1    8.71000   0.07000   1700.00   30.0000   40.0611   0.00662   8.83054   -0.1205   1.72204   40.1848   -0.1237   18.6751   120.46796
 61  1    8.62000   0.07000   1800.00   30.0000   40.1803   0.00843   8.90775   -0.2878   4.11079   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   1.29817   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   1.51937   39.4662   -0.0977   18.0257   121.57033
 64  1    7.78000   0.07000   800.000   30.0000   39.3324   0.00542   7.85724   -0.0772   1.10339   39.4030   -0.0706   13.0307   121.52422
 65  1    8.03000   0.07000   900.000   30.0000   39.2921   0.00602   8.09292   -0.0629   0.89892   39.3494   -0.0573   9.51435   121.38494
 66  1    8.26000   0.07000   1000.00   30.0000   39.2029   0.00602   8.38289   -0.1229   1.75556   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   1.24414   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   -0.0677   11.2500   121.58125
 69  1    9.32000   0.07000   1300.00   30.0000   38.8494   0.00662   9.35713   -0.0371   0.53041   38.8815   -0.0321   4.84643   121.51928
 70  1    9.66000   0.07000   1400.00   30.0000   38.7537   0.00662   9.65925   0.00076   0.01079   38.7530   0.00064   0.09732   121.58823
 71  1    10.0200   0.07000   1500.00   30.0000   38.6736   0.00964   9.94387   0.07613   1.08754   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   1.04245   38.5343   0.06096   8.43538   121.52767
 73  1    10.4700   0.07000   1700.00   30.0000   38.5574   0.00723   10.4625   0.00753   0.10762   38.5511   0.00630   0.87152   121.54874
 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   120.91608
 75  1    12.5300   0.07000   500.000   30.0000   35.5180   0.01265   12.7517   -0.2217   3.16781   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   2.90625   35.6266   -0.1122   9.31766   119.12113
 77  1    13.1700   0.07000   900.000   30.0000   35.5517   0.00783   13.4218   -0.2518   3.59663   35.6919   -0.1402   17.9085   123.04774
 78  1    13.6100   0.07000   1100.00   30.0000   35.5668   0.00723   13.7614   -0.1514   2.16314   35.6512   -0.0844   11.6770   123.42344
 79  1    13.4700   0.07000   1300.00   30.0000   35.9148   0.00843   13.5167   -0.0467   0.66699   35.9421   -0.0272   3.23148   122.39659
 80  1    13.1400   0.07000   1400.00   30.0000   36.1876   0.00783   13.2421   -0.1021   1.45830   36.2497   -0.0621   7.92927   122.72628
 81  1    12.9700   0.07000   1500.00   30.0000   36.4430   0.00964   13.0133   -0.0433   0.61804   36.4702   -0.0272   2.82358   121.41429
 82  1    12.6200   0.07000   1600.00   30.0000   36.8585   0.00723   12.5562   0.06378   0.91118   36.8162   0.04230   5.85409   122.71112
 83  1    12.2400   0.07000   1700.00   30.0000   37.1735   0.01024   12.2798   -0.0398   0.56896   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   2.16815   37.2748   -0.1043   21.6527   124.10229
 85  1    10.2500   0.07000   700.000   30.0000   37.1771   0.00542   10.4045   -0.1545   2.20688   37.2837   -0.1066   19.6706   123.52887
 86  1    10.6100   0.07000   900.000   30.0000   37.2036   0.00662   10.7394   -0.1294   1.84905   37.2934   -0.0898   13.5569   122.89456
 87  1    10.9600   0.07000   1100.00   30.0000   37.2102   0.00662   11.1039   -0.1439   2.05530   37.3105   -0.1003   15.1376   122.82005
 88  1    11.3500   0.07000   1300.00   30.0000   37.1530   0.00723   11.5609   -0.2109   3.01223   37.2997   -0.1467   20.3046   122.56081
 89  1    11.5900   0.07000   1400.00   30.0000   37.1102   0.00783   11.8101   -0.2201   3.14394   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   121.97484
 91  1    12.9500   0.07000   500.000   30.0000   35.5481   0.00783   12.6967   0.25326   3.61802   35.4105   0.13763   17.5805   123.59473
 92  1    13.1200   0.07000   600.000   30.0000   35.4993   0.00843   12.9682   0.15176   2.16803   35.4170   0.08233   9.76546   122.86358
 93  1    13.3300   0.07000   700.000   30.0000   35.4794   0.00783   13.1874   0.14261   2.03731   35.4022   0.07729   9.87200   123.22323
 94  1    13.5600   0.07000   800.000   30.0000   35.4138   0.00843   13.4912   0.06878   0.98264   35.3767   0.03708   4.39837   122.63803
 95  1    13.7700   0.07000   900.000   30.0000   35.3735   0.00843   13.7489   0.02106   0.30082   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   0.17492   35.3476   0.00658   0.72846   121.99599
 97  1    14.2300   0.07000   1100.00   30.0000   35.3156   0.00964   14.2226   0.00738   0.10539   35.3117   0.00394   0.40936   121.38736
 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   120.07887
 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   121.32954
100  1    15.0100   0.07000   1400.00   30.0000   35.1639   0.00964   15.0574   -0.0474   0.67733   35.1889   -0.0250   2.59238   121.30698
<-------------------------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   0.87818   35.1745   -0.0323   3.15903   120.66378
102  1    15.3600   0.07000   1600.00   30.0000   35.1988   0.00903   15.3570   0.00301   0.04307   35.1972   0.00160   0.17694   121.90746
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   120.74345
104  1    15.1700   0.07000   1800.00   30.0000   35.5457   0.01084   15.0851   0.08495   1.21351   35.4985   0.04717   4.35142   120.24618
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   124.31916
106  1    20.1500   0.07000   500.000   30.0000   32.3244   0.00482   20.1204   0.02965   0.42357   32.3141   0.01031   2.14105   127.58183
107  1    20.2400   0.07000   600.000   30.0000   32.3275   0.00542   20.2867   -0.0467   0.66648   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   126.27390
109  1    20.4400   0.07000   800.000   30.0000   32.3913   0.00482   20.4558   -0.0158   0.22518   32.3968   -0.0056   1.15287   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   126.07759
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   2.56844   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   2.64604   32.8031   -0.0692   10.4398   124.28085
114  1    19.7400   0.07000   1300.00   30.0000   32.9321   0.00542   19.8673   -0.1273   1.81838   32.9810   -0.0489   9.01956   125.86311
115  1    19.3700   0.07000   1400.00   30.0000   33.1820   0.00542   19.4043   -0.0343   0.49024   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   3.31742   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   23.0631   124.95033
118  1    18.0600   0.07000   1700.00   30.0000   34.1491   0.00602   17.6725   0.38754   5.53622   33.9741   0.17509   29.0751   124.83776
119  1    17.4500   0.07000   1800.00   30.0000   34.4822   0.00903   17.1428   0.30716   4.38799   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   3.28816   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   3.60966   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>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:  118.000           :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        13.75501         -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       118.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.19268          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        13.75501         -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       118.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.19268          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   1.24185   1352345.6
  2  1    1.46000   0.03000   300.000   0.00000   46.9013   0.00283   1.46188   -0.0019   0.06263   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   0.46149   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   1.06817   42.3127   -0.0835   26.6644   277.32669
  5  1    6.03000   0.06000   300.000   0.00000   40.1035   0.00379   6.09069   -0.0607   1.01149   40.1641   -0.0606   15.9668   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   0.83307   36.9441   -0.0165   4.34664   1071.6807
  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   275.61905
  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   0.64990   34.2831   -0.0090   3.03537   1062.1763
 11  1    16.9700   0.06000   300.000   0.00000   33.3686   0.00343   16.9840   -0.0140   0.23340   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   0.75181   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   0.00249   0.71208   9496.7559
 14  1    22.4900   0.03000   300.000   0.00000   31.4453   0.00313   22.4761   0.01385   0.46177   31.4410   0.00423   1.34973   994.38019
 15  1    24.3400   0.03000   300.000   0.00000   30.9119   0.00331   24.2962   0.04382   1.46065   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   1.74856   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   8.00733   115.76140
 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   115.64265
 19  1    2.83000   0.07000   700.000   30.0000   45.8008   0.00783   2.79240   0.03760   0.53721   45.7249   0.07587   9.69171   115.47649
 20  1    2.97000   0.07000   800.000   30.0000   45.9260   0.00783   2.93532   0.03468   0.49543   45.8547   0.07133   9.11089   115.31909
 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   114.82170
 22  1    2.95000   0.07000   1000.00   30.0000   46.7710   0.01144   2.95837   -0.0084   0.11951   46.7903   -0.0193   1.68830   114.35932
 23  1    2.92000   0.07000   1100.00   30.0000   47.4412   0.01445   2.88655   0.03345   0.47781   47.3576   0.08364   5.78679   113.63381
 24  1    2.89000   0.07000   1200.00   30.0000   48.1416   0.01506   2.82798   0.06202   0.88593   47.9728   0.16880   11.2120   113.04600
 25  1    5.03000   0.07000   500.000   30.0000   41.6485   0.00783   5.06748   -0.0375   0.53545   41.6941   -0.0456   5.82331   119.39167
 26  1    5.28000   0.07000   600.000   30.0000   41.5859   0.00783   5.31466   -0.0347   0.49513   41.6278   -0.0419   5.35554   119.28207
 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   119.27625
 28  1    5.48000   0.07000   800.000   30.0000   41.7882   0.00662   5.54126   -0.0613   0.87519   41.8648   -0.0765   11.5540   119.10365
 29  1    5.54000   0.07000   900.000   30.0000   41.9797   0.00723   5.58577   -0.0458   0.65386   42.0384   -0.0587   8.11602   118.81597
 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   118.37070
 31  1    5.54000   0.07000   1100.00   30.0000   42.6319   0.00903   5.49135   0.04865   0.69507   42.5645   0.06746   7.46748   117.97855
 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   117.71632
 33  1    5.44000   0.07000   1300.00   30.0000   43.3998   0.00903   5.36481   0.07519   1.07410   43.2847   0.11504   12.7356   117.31377
 34  1    5.44000   0.07000   1400.00   30.0000   43.8990   0.01024   5.25142   0.18858   2.69396   43.5946   0.30439   29.7321   116.76930
 35  1    8.34000   0.07000   500.000   30.0000   38.4965   0.01265   8.25946   0.08053   1.15050   38.4314   0.06516   5.15232   119.79847
 36  1    8.30000   0.07000   600.000   30.0000   38.7133   0.01024   8.18570   0.11430   1.63285   38.6182   0.09510   9.28929   120.70664
 37  1    8.30000   0.07000   700.000   30.0000   38.8561   0.00843   8.20677   0.09323   1.33181   38.7768   0.07924   9.39897   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   121.35806
 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   121.28218
 40  1    8.17000   0.07000   1000.00   30.0000   39.4932   0.00662   8.06584   0.10416   1.48798   39.3966   0.09656   14.5767   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   120.91850
 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   120.37848
 43  1    7.77000   0.07000   1300.00   30.0000   40.5959   0.00783   7.54620   0.22380   3.19721   40.3575   0.23839   30.4502   119.81867
 44  1    7.53000   0.07000   1400.00   30.0000   41.1077   0.00903   7.28332   0.24668   3.52400   40.8273   0.28042   31.0430   119.16985
 45  1    7.29000   0.07000   1500.00   30.0000   41.5546   0.00903   7.10414   0.18586   2.65512   41.3296   0.22499   24.9075   118.81738
 46  1    6.95000   0.07000   1600.00   30.0000   42.0779   0.01265   6.88906   0.06094   0.87053   41.9981   0.07978   6.30851   117.76266
 47  1    6.71000   0.07000   1700.00   30.0000   42.7313   0.01084   6.61100   0.09900   1.41429   42.5907   0.14065   12.9754   117.60835
 48  1    5.93000   0.07000   500.000   30.0000   40.5669   0.00783   6.02243   -0.0924   1.32042   40.6654   -0.0985   12.5807   120.32774
 49  1    6.18000   0.07000   600.000   30.0000   40.5007   0.00783   6.27834   -0.0983   1.40488   40.6049   -0.1042   13.3101   120.20773
 50  1    6.32000   0.07000   700.000   30.0000   40.4537   0.00783   6.51642   -0.1964   2.80601   40.6624   -0.2087   26.6573   120.13858
<-------------------------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   29.7715   119.98776
 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   120.12325
 53  1    7.03000   0.07000   1000.00   30.0000   40.2990   0.00783   7.24541   -0.2154   3.07731   40.5251   -0.2261   28.8812   120.11327
 54  1    7.38000   0.07000   1100.00   30.0000   40.1942   0.00783   7.54063   -0.1606   2.29466   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   2.15284   40.2188   -0.1535   21.2341   120.38892
 56  1    8.04000   0.07000   1300.00   30.0000   39.9310   0.00662   8.18787   -0.1479   2.11240   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   1.07179   39.9616   -0.0746   12.3851   120.74744
 58  1    8.73000   0.07000   1500.00   30.0000   39.8720   0.00602   8.63301   0.09699   1.38562   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   0.92743   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   1.72206   40.1848   -0.1237   18.6763   120.46777
 61  1    8.62000   0.07000   1800.00   30.0000   40.1803   0.00843   8.90776   -0.2878   4.11081   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   1.29818   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   1.51937   39.4662   -0.0977   18.0264   121.57024
 64  1    7.78000   0.07000   800.000   30.0000   39.3324   0.00542   7.85724   -0.0772   1.10340   39.4030   -0.0706   13.0314   121.52357
 65  1    8.03000   0.07000   900.000   30.0000   39.2921   0.00602   8.09293   -0.0629   0.89893   39.3493   -0.0573   9.51372   121.38315
 66  1    8.26000   0.07000   1000.00   30.0000   39.2029   0.00602   8.38289   -0.1229   1.75556   39.3141   -0.1112   18.4681   121.42799
 67  1    8.59000   0.07000   1100.00   30.0000   39.1108   0.00602   8.67709   -0.0871   1.24415   39.1887   -0.0779   12.9293   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   121.58265
 69  1    9.32000   0.07000   1300.00   30.0000   38.8494   0.00662   9.35713   -0.0371   0.53042   38.8815   -0.0321   4.84528   121.51907
 70  1    9.66000   0.07000   1400.00   30.0000   38.7537   0.00662   9.65925   0.00075   0.01078   38.7530   0.00064   0.09617   121.58683
 71  1    10.0200   0.07000   1500.00   30.0000   38.6736   0.00964   9.94387   0.07613   1.08754   38.6094   0.06414   6.65632   120.64031
 72  1    10.3000   0.07000   1600.00   30.0000   38.5953   0.00723   10.2270   0.07297   1.04243   38.5343   0.06096   8.43538   121.52606
 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   121.54737
 74  1    10.6100   0.07000   1800.00   30.0000   38.5826   0.00903   10.6224   -0.0124   0.17756   38.5931   -0.0105   1.15709   120.91608
 75  1    12.5300   0.07000   500.000   30.0000   35.5180   0.01265   12.7517   -0.2217   3.16779   35.6401   -0.1222   9.66004   118.75636
 76  1    12.9200   0.07000   700.000   30.0000   35.5144   0.01204   13.1234   -0.2034   2.90624   35.6266   -0.1122   9.31735   119.12202
 77  1    13.1700   0.07000   900.000   30.0000   35.5517   0.00783   13.4218   -0.2518   3.59662   35.6919   -0.1402   17.9085   123.04934
 78  1    13.6100   0.07000   1100.00   30.0000   35.5668   0.00723   13.7614   -0.1514   2.16311   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   122.39659
 80  1    13.1400   0.07000   1400.00   30.0000   36.1876   0.00783   13.2421   -0.1021   1.45828   36.2497   -0.0621   7.92927   122.72628
 81  1    12.9700   0.07000   1500.00   30.0000   36.4430   0.00964   13.0133   -0.0433   0.61801   36.4702   -0.0272   2.82319   121.41429
 82  1    12.6200   0.07000   1600.00   30.0000   36.8585   0.00723   12.5562   0.06378   0.91119   36.8162   0.04230   5.85356   122.71274
 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   120.91212
 84  1    9.89000   0.07000   500.000   30.0000   37.1705   0.00482   10.0418   -0.1518   2.16815   37.2748   -0.1043   21.6527   124.10229
 85  1    10.2500   0.07000   700.000   30.0000   37.1771   0.00542   10.4045   -0.1545   2.20688   37.2837   -0.1066   19.6706   123.52887
 86  1    10.6100   0.07000   900.000   30.0000   37.2036   0.00662   10.7394   -0.1294   1.84904   37.2934   -0.0898   13.5569   122.89456
 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   -0.1526   19.4867   122.28635
 90  1    11.7800   0.07000   1500.00   30.0000   37.0994   0.00843   12.0129   -0.2329   3.32673   37.2609   -0.1615   19.1590   121.97484
 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   123.59473
 92  1    13.1200   0.07000   600.000   30.0000   35.4993   0.00843   12.9682   0.15176   2.16804   35.4170   0.08234   9.76592   122.86358
 93  1    13.3300   0.07000   700.000   30.0000   35.4794   0.00783   13.1874   0.14261   2.03732   35.4022   0.07729   9.87200   123.22163
 94  1    13.5600   0.07000   800.000   30.0000   35.4138   0.00843   13.4912   0.06879   0.98267   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   0.30084   35.3621   0.01133   1.34381   122.57791
 96  1    13.9800   0.07000   1000.00   30.0000   35.3542   0.00903   13.9678   0.01225   0.17494   35.3476   0.00658   0.72888   121.99599
 97  1    14.2300   0.07000   1100.00   30.0000   35.3156   0.00964   14.2226   0.00738   0.10542   35.3117   0.00394   0.40936   121.38786
 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   120.07887
 99  1    14.7500   0.07000   1300.00   30.0000   35.2042   0.00964   14.7980   -0.0480   0.68586   35.2296   -0.0254   2.63751   121.32801
100  1    15.0100   0.07000   1400.00   30.0000   35.1639   0.00964   15.0574   -0.0474   0.67727   35.1889   -0.0250   2.59119   121.30698
<-------------------------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   120.66682
102  1    15.3600   0.07000   1600.00   30.0000   35.1988   0.00903   15.3570   0.00302   0.04312   35.1972   0.00160   0.17736   121.90853
103  1    15.3200   0.07000   1700.00   30.0000   35.3096   0.01024   15.3326   -0.0126   0.17966   35.3164   -0.0068   0.66214   120.74294
104  1    15.1700   0.07000   1800.00   30.0000   35.5457   0.01084   15.0851   0.08495   1.21356   35.4985   0.04717   4.35177   120.24715
105  1    20.3900   0.07000   800.000   30.0000   32.3780   0.00662   20.4934   -0.1034   1.47757   32.4145   -0.0364   5.50234   124.31916
106  1    20.1500   0.07000   500.000   30.0000   32.3244   0.00482   20.1204   0.02965   0.42357   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   0.66648   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   0.25934   32.3596   0.00636   1.17328   126.27390
109  1    20.4400   0.07000   800.000   30.0000   32.3913   0.00482   20.4558   -0.0158   0.22515   32.3968   -0.0056   1.15287   126.96021
110  1    20.5200   0.07000   900.000   30.0000   32.4383   0.00542   20.4991   0.02091   0.29877   32.4308   0.00742   1.36965   126.07852
111  1    20.4600   0.07000   1000.00   30.0000   32.5099   0.00482   20.4748   -0.0148   0.21120   32.5152   -0.0053   1.10140   126.78571
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   2.64596   32.8031   -0.0692   10.4398   124.28085
114  1    19.7400   0.07000   1300.00   30.0000   32.9321   0.00542   19.8673   -0.1273   1.81830   32.9810   -0.0489   9.01956   125.86311
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   125.77251
116  1    19.0100   0.07000   1500.00   30.0000   33.5096   0.00662   18.7778   0.23223   3.31751   33.4135   0.09611   14.5088   124.34919
117  1    18.5500   0.07000   1600.00   30.0000   33.8203   0.00602   18.2284   0.32165   4.59494   33.6815   0.13889   23.0625   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   4.38807   34.3362   0.14596   16.1579   121.71827
120  1    14.8100   0.07000   500.000   30.0000   34.5821   0.00723   14.5798   0.23017   3.28816   34.4725   0.10966   15.1752   124.34200
121  1    16.2300   0.07000   1300.00   30.0000   34.6068   0.00542   15.9773   0.25268   3.60970   34.4851   0.12176   22.4648   125.14164

  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_printed_theta/fitted.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 09:36
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  51.1100           :Reference pressure volume: units are cm^3/mol
      K0:  13.76(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:  118.000           :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_printed_theta/fitted.eos


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


EOSFIT-7.6>
***** Macro completed

EOSFIT-7.6>