***********************************************************************************************************************
*                                                                                                                     *
*                                                     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 10:33                                                                     *
*                                                                                                                     *
***********************************************************************************************************************

EOSFIT-7.6>

Successfully opened file for macros
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbi/weighted_all_lvp_printed_theta/run.mcr

***** Running macro

EOSFIT-7.6>log /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbi/weighted_all_lvp_printed_theta/run.log


Successfully opened Log file
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbi/weighted_all_lvp_printed_theta/run.log


EOSFIT-7.6>read /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbi/weighted_all_lvp_printed_theta/input.dat


Successfully opened data file
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbi/weighted_all_lvp_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 124 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    2.97000   0.07000   300.000   30.0000   43.7954   0.01204
 18  1    2.43000   0.07000   500.000   30.0000   45.7635   0.00662
 19  1    2.66000   0.07000   600.000   30.0000   45.7610   0.00662
 20  1    2.83000   0.07000   700.000   30.0000   45.8008   0.00783
 21  1    2.97000   0.07000   800.000   30.0000   45.9260   0.00783
 22  1    2.96000   0.07000   900.000   30.0000   46.4289   0.00843
 23  1    2.95000   0.07000   1000.00   30.0000   46.7710   0.01144
 24  1    2.92000   0.07000   1100.00   30.0000   47.4412   0.01445
 25  1    2.89000   0.07000   1200.00   30.0000   48.1416   0.01506
 26  1    5.03000   0.07000   500.000   30.0000   41.6485   0.00783
 27  1    5.28000   0.07000   600.000   30.0000   41.5859   0.00783
 28  1    5.40000   0.07000   700.000   30.0000   41.6690   0.00662
 29  1    5.48000   0.07000   800.000   30.0000   41.7882   0.00662
 30  1    5.54000   0.07000   900.000   30.0000   41.9797   0.00723
 31  1    5.56000   0.07000   1000.00   30.0000   42.2802   0.00843
 32  1    5.54000   0.07000   1100.00   30.0000   42.6319   0.00903
 33  1    5.49000   0.07000   1200.00   30.0000   43.0131   0.00843
 34  1    5.44000   0.07000   1300.00   30.0000   43.3998   0.00903
 35  1    5.44000   0.07000   1400.00   30.0000   43.8990   0.01024
 36  1    8.34000   0.07000   500.000   30.0000   38.4965   0.01265
 37  1    8.30000   0.07000   600.000   30.0000   38.7133   0.01024
 38  1    8.30000   0.07000   700.000   30.0000   38.8561   0.00843
 39  1    8.29000   0.07000   800.000   30.0000   39.0355   0.00723
 40  1    8.25000   0.07000   900.000   30.0000   39.2523   0.00662
 41  1    8.17000   0.07000   1000.00   30.0000   39.4932   0.00662
 42  1    8.10000   0.07000   1100.00   30.0000   39.7485   0.00602
 43  1    7.98000   0.07000   1200.00   30.0000   40.0773   0.00723
 44  1    7.77000   0.07000   1300.00   30.0000   40.5959   0.00783
 45  1    7.53000   0.07000   1400.00   30.0000   41.1077   0.00903
 46  1    7.29000   0.07000   1500.00   30.0000   41.5546   0.00903
 47  1    6.95000   0.07000   1600.00   30.0000   42.0779   0.01265
 48  1    6.71000   0.07000   1700.00   30.0000   42.7313   0.01084
 49  1    5.93000   0.07000   500.000   30.0000   40.5669   0.00783
 50  1    6.18000   0.07000   600.000   30.0000   40.5007   0.00783
<------------------------Observed Values-------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)
              GPA                                  CM^3/MOL
 51  1    6.32000   0.07000   700.000   30.0000   40.4537   0.00783
 52  1    6.53000   0.07000   800.000   30.0000   40.3941   0.00843
 53  1    6.76000   0.07000   900.000   30.0000   40.3261   0.00783
 54  1    7.03000   0.07000   1000.00   30.0000   40.2990   0.00783
 55  1    7.38000   0.07000   1100.00   30.0000   40.1942   0.00783
 56  1    7.71000   0.07000   1200.00   30.0000   40.0653   0.00723
 57  1    8.04000   0.07000   1300.00   30.0000   39.9310   0.00662
 58  1    8.35000   0.07000   1400.00   30.0000   39.8870   0.00602
 59  1    8.73000   0.07000   1500.00   30.0000   39.8720   0.00602
 60  1    8.71000   0.07000   1600.00   30.0000   39.9226   0.00662
 61  1    8.71000   0.07000   1700.00   30.0000   40.0611   0.00662
 62  1    8.62000   0.07000   1800.00   30.0000   40.1803   0.00843
 63  1    7.32000   0.07000   600.000   30.0000   39.3908   0.00482
 64  1    7.52000   0.07000   700.000   30.0000   39.3685   0.00542
 65  1    7.78000   0.07000   800.000   30.0000   39.3324   0.00542
 66  1    8.03000   0.07000   900.000   30.0000   39.2921   0.00602
 67  1    8.26000   0.07000   1000.00   30.0000   39.2029   0.00602
 68  1    8.59000   0.07000   1100.00   30.0000   39.1108   0.00602
 69  1    8.95000   0.07000   1200.00   30.0000   38.9705   0.00602
 70  1    9.32000   0.07000   1300.00   30.0000   38.8494   0.00662
 71  1    9.66000   0.07000   1400.00   30.0000   38.7537   0.00662
 72  1    10.0200   0.07000   1500.00   30.0000   38.6736   0.00964
 73  1    10.3000   0.07000   1600.00   30.0000   38.5953   0.00723
 74  1    10.4700   0.07000   1700.00   30.0000   38.5574   0.00723
 75  1    10.6100   0.07000   1800.00   30.0000   38.5826   0.00903
 76  1    4.53000   0.07000   300.000   30.0000   41.9755   0.01746
 77  1    12.5300   0.07000   500.000   30.0000   35.5180   0.01265
 78  1    12.9200   0.07000   700.000   30.0000   35.5144   0.01204
 79  1    13.1700   0.07000   900.000   30.0000   35.5517   0.00783
 80  1    13.6100   0.07000   1100.00   30.0000   35.5668   0.00723
 81  1    13.4700   0.07000   1300.00   30.0000   35.9148   0.00843
 82  1    13.1400   0.07000   1400.00   30.0000   36.1876   0.00783
 83  1    12.9700   0.07000   1500.00   30.0000   36.4430   0.00964
 84  1    12.6200   0.07000   1600.00   30.0000   36.8585   0.00723
 85  1    12.2400   0.07000   1700.00   30.0000   37.1735   0.01024
 86  1    9.89000   0.07000   500.000   30.0000   37.1705   0.00482
 87  1    10.2500   0.07000   700.000   30.0000   37.1771   0.00542
 88  1    10.6100   0.07000   900.000   30.0000   37.2036   0.00662
 89  1    10.9600   0.07000   1100.00   30.0000   37.2102   0.00662
 90  1    11.3500   0.07000   1300.00   30.0000   37.1530   0.00723
 91  1    11.5900   0.07000   1400.00   30.0000   37.1102   0.00783
 92  1    11.7800   0.07000   1500.00   30.0000   37.0994   0.00843
 93  1    10.0300   0.07000   300.000   30.0000   36.9235   0.00482
 94  1    12.9500   0.07000   500.000   30.0000   35.5481   0.00783
 95  1    13.1200   0.07000   600.000   30.0000   35.4993   0.00843
 96  1    13.3300   0.07000   700.000   30.0000   35.4794   0.00783
 97  1    13.5600   0.07000   800.000   30.0000   35.4138   0.00843
 98  1    13.7700   0.07000   900.000   30.0000   35.3735   0.00843
 99  1    13.9800   0.07000   1000.00   30.0000   35.3542   0.00903
100  1    14.2300   0.07000   1100.00   30.0000   35.3156   0.00964
<------------------------Observed Values-------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)
              GPA                                  CM^3/MOL
101  1    14.4700   0.07000   1200.00   30.0000   35.2518   0.01084
102  1    14.7500   0.07000   1300.00   30.0000   35.2042   0.00964
103  1    15.0100   0.07000   1400.00   30.0000   35.1639   0.00964
104  1    15.2200   0.07000   1500.00   30.0000   35.1422   0.01024
105  1    15.3600   0.07000   1600.00   30.0000   35.1988   0.00903
106  1    15.3200   0.07000   1700.00   30.0000   35.3096   0.01024
107  1    15.1700   0.07000   1800.00   30.0000   35.5457   0.01084
108  1    20.3900   0.07000   800.000   30.0000   32.3780   0.00662
109  1    20.1500   0.07000   500.000   30.0000   32.3244   0.00482
110  1    20.2400   0.07000   600.000   30.0000   32.3275   0.00542
111  1    20.3700   0.07000   700.000   30.0000   32.3660   0.00542
112  1    20.4400   0.07000   800.000   30.0000   32.3913   0.00482
113  1    20.5200   0.07000   900.000   30.0000   32.4383   0.00542
114  1    20.4600   0.07000   1000.00   30.0000   32.5099   0.00482
115  1    20.2500   0.07000   1100.00   30.0000   32.5900   0.00542
116  1    20.0300   0.07000   1200.00   30.0000   32.7339   0.00662
117  1    19.7400   0.07000   1300.00   30.0000   32.9321   0.00542
118  1    19.3700   0.07000   1400.00   30.0000   33.1820   0.00542
119  1    19.0100   0.07000   1500.00   30.0000   33.5096   0.00662
120  1    18.5500   0.07000   1600.00   30.0000   33.8203   0.00602
121  1    18.0600   0.07000   1700.00   30.0000   34.1491   0.00602
122  1    17.4500   0.07000   1800.00   30.0000   34.4822   0.00903
123  1    14.8100   0.07000   500.000   30.0000   34.5821   0.00723
124  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):13.68
          VALUE OF Kp    (     4.000):4.96
 
 
  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:  13.6800           :Bulk modulus: same units as pressure data
      Kp:  4.96000           :dK/dP: dimensionless
     Kpp: -0.4218            :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):2.22
    Gruneisen power law in V/V0:
                    VALUE OF q     (     0.000):1.43

*****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:  13.6800           :Bulk modulus: same units as pressure data
      Kp:  4.96000           :dK/dP: dimensionless
     Kpp: -0.4218            :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:  2.22000           :Gruneisen parameter at Tref,Pref
       q:  1.43000           :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:  13.6800           :Bulk modulus: units are GPa
      Kp:  4.96000           :dK/dP: dimensionless
     Kpp: -0.4218            :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:  2.22000           :Gruneisen parameter at Tref,Pref
       q:  1.43000           :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:  13.6800           :Bulk modulus: units are GPa
      Kp:  4.96000           :dK/dP: dimensionless
     Kpp: -0.4218            :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:  2.22000           :Gruneisen parameter at Tref,Pref
       q:  1.43000           :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-case3-eosfit7c/rbi/weighted_all_lvp_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:  13.6800           :Bulk modulus: units are GPa
      Kp:  4.96000           :dK/dP: dimensionless
     Kpp: -0.4218            :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:  2.22000           :Gruneisen parameter at Tref,Pref
       q:  1.43000           :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-case3-eosfit7c/rbi/weighted_all_lvp_printed_theta/initial.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbi/weighted_all_lvp_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 124 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   0.53624   0.00376       INF   49.2983   0.01137   4.39140
  2  1    1.46000   0.03000   300.000   0.00000   46.9013   0.00283   1.45552   0.00448   0.14944   46.8910   0.01022   3.61199
  3  1    2.64000   0.04000   300.000   0.00000   44.5439   0.00337   2.64861   -0.0086   0.21535   44.5588   -0.0148   4.40131
  4  1    4.15000   0.06000   300.000   0.00000   42.2292   0.00313   4.20127   -0.0513   0.85445   42.2961   -0.0668   21.3386
  5  1    6.03000   0.06000   300.000   0.00000   40.1035   0.00379   6.07599   -0.0460   0.76648   40.1494   -0.0459   12.0968
  6  1    7.83000   0.06000   300.000   0.00000   38.4809   0.00289   7.88832   -0.0583   0.97207   38.5281   -0.0473   16.3495
  7  1    10.0100   0.03000   300.000   0.00000   36.9276   0.00379   10.0207   -0.0107   0.35505   36.9347   -0.0070   1.84906
  8  1    11.8400   0.06000   300.000   0.00000   35.8054   0.00301   11.8602   -0.0202   0.33600   35.8168   -0.0114   3.79307
  9  1    13.4900   0.06000   300.000   0.00000   34.9349   0.00337   13.4934   -0.0034   0.05606   34.9366   -0.0017   0.49997
 10  1    14.8600   0.03000   300.000   0.00000   34.2741   0.00295   14.8711   -0.0111   0.37136   34.2792   -0.0051   1.72969
 11  1    16.9700   0.06000   300.000   0.00000   33.3686   0.00343   16.9797   -0.0097   0.16111   33.3725   -0.0039   1.13576
 12  1    18.7100   0.08000   300.000   0.00000   32.7264   0.00319   18.6492   0.06080   0.75996   32.7041   0.02230   6.98702
 13  1    20.1900   0.00000   300.000   0.00000   32.1839   0.00349   20.1858   0.00419       INF   32.1825   0.00143   0.40846
 14  1    22.4900   0.03000   300.000   0.00000   31.4453   0.00313   22.4854   0.00456   0.15195   31.4439   0.00139   0.44341
 15  1    24.3400   0.03000   300.000   0.00000   30.9119   0.00331   24.3108   0.02915   0.97173   30.9037   0.00818   2.47044
 16  1    26.0500   0.02000   300.000   0.00000   30.4264   0.00373   26.1053   -0.0553   2.76432   30.4409   -0.0144   3.86504
 17  1    2.97000   0.07000   300.000   30.0000   43.7954   0.01204   3.10368   -0.1337   1.90973   44.0084   -0.2129   17.6788
 18  1    2.43000   0.07000   500.000   30.0000   45.7635   0.00662   2.39985   0.03015   0.43075   45.7031   0.06036   9.11125
 19  1    2.66000   0.07000   600.000   30.0000   45.7610   0.00662   2.60691   0.05309   0.75842   45.6547   0.10637   16.0573
 20  1    2.83000   0.07000   700.000   30.0000   45.8008   0.00783   2.79340   0.03660   0.52282   45.7267   0.07411   9.46660
 21  1    2.97000   0.07000   800.000   30.0000   45.9260   0.00783   2.93883   0.03117   0.44530   45.8617   0.06439   8.22456
 22  1    2.96000   0.07000   900.000   30.0000   46.4289   0.00843   2.91119   0.04881   0.69724   46.3216   0.10734   12.7318
 23  1    2.95000   0.07000   1000.00   30.0000   46.7710   0.01144   2.96816   -0.0182   0.25937   46.8131   -0.0422   3.68699
 24  1    2.92000   0.07000   1100.00   30.0000   47.4412   0.01445   2.90011   0.01989   0.28409   47.3911   0.05010   3.46653
 25  1    2.89000   0.07000   1200.00   30.0000   48.1416   0.01506   2.84548   0.04452   0.63594   48.0194   0.12224   8.11925
 26  1    5.03000   0.07000   500.000   30.0000   41.6485   0.00783   5.05788   -0.0279   0.39830   41.6825   -0.0339   4.33423
 27  1    5.28000   0.07000   600.000   30.0000   41.5859   0.00783   5.30692   -0.0269   0.38458   41.6185   -0.0326   4.16369
 28  1    5.40000   0.07000   700.000   30.0000   41.6690   0.00662   5.43623   -0.0362   0.51761   41.7135   -0.0445   6.71279
 29  1    5.48000   0.07000   800.000   30.0000   41.7882   0.00662   5.53769   -0.0577   0.82419   41.8604   -0.0722   10.8970
 30  1    5.54000   0.07000   900.000   30.0000   41.9797   0.00723   5.58445   -0.0445   0.63505   42.0368   -0.0571   7.89642
 31  1    5.56000   0.07000   1000.00   30.0000   42.2802   0.00843   5.55329   0.00671   0.09587   42.2713   0.00893   1.05966
 32  1    5.54000   0.07000   1100.00   30.0000   42.6319   0.00903   5.49513   0.04487   0.64095   42.5696   0.06238   6.90582
 33  1    5.49000   0.07000   1200.00   30.0000   43.0131   0.00843   5.42944   0.06056   0.86520   42.9247   0.08843   10.4889
 34  1    5.44000   0.07000   1300.00   30.0000   43.3998   0.00903   5.37421   0.06579   0.93981   43.2987   0.10107   11.1888
 35  1    5.44000   0.07000   1400.00   30.0000   43.8990   0.01024   5.26400   0.17600   2.51429   43.6136   0.28543   27.8805
 36  1    8.34000   0.07000   500.000   30.0000   38.4965   0.01265   8.24763   0.09236   1.31949   38.4219   0.07468   5.90552
 37  1    8.30000   0.07000   600.000   30.0000   38.7133   0.01024   8.17561   0.12439   1.77702   38.6099   0.10345   10.1053
 38  1    8.30000   0.07000   700.000   30.0000   38.8561   0.00843   8.19845   0.10155   1.45070   38.7698   0.08630   10.2360
 39  1    8.29000   0.07000   800.000   30.0000   39.0355   0.00723   8.18322   0.10678   1.52546   38.9425   0.09303   12.8727
 40  1    8.25000   0.07000   900.000   30.0000   39.2523   0.00662   8.13225   0.11775   1.68221   39.1467   0.10563   15.9461
 41  1    8.17000   0.07000   1000.00   30.0000   39.4932   0.00662   8.06322   0.10678   1.52540   39.3941   0.09906   14.9545
 42  1    8.10000   0.07000   1100.00   30.0000   39.7485   0.00602   7.98839   0.11161   1.59444   39.6413   0.10719   17.7998
 43  1    7.98000   0.07000   1200.00   30.0000   40.0773   0.00723   7.85042   0.12958   1.85116   39.9474   0.12993   17.9798
 44  1    7.77000   0.07000   1300.00   30.0000   40.5959   0.00783   7.55043   0.21957   3.13668   40.3615   0.23432   29.9308
 45  1    7.53000   0.07000   1400.00   30.0000   41.1077   0.00903   7.29029   0.23971   3.42442   40.8346   0.27316   30.2394
 46  1    7.29000   0.07000   1500.00   30.0000   41.5546   0.00903   7.11386   0.17614   2.51623   41.3407   0.21387   23.6761
 47  1    6.95000   0.07000   1600.00   30.0000   42.0779   0.01265   6.90181   0.04819   0.68844   42.0146   0.06333   5.00754
 48  1    6.71000   0.07000   1700.00   30.0000   42.7313   0.01084   6.62720   0.08280   1.18287   42.6131   0.11819   10.9030
 49  1    5.93000   0.07000   500.000   30.0000   40.5669   0.00783   6.01170   -0.0817   1.16720   40.6540   -0.0871   11.1243
 50  1    6.18000   0.07000   600.000   30.0000   40.5007   0.00783   6.26941   -0.0894   1.27722   40.5955   -0.0948   12.1056
<-------------------------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    6.32000   0.07000   700.000   30.0000   40.4537   0.00783   6.50929   -0.1893   2.70416   40.6550   -0.2013   25.7067
 52  1    6.53000   0.07000   800.000   30.0000   40.3941   0.00843   6.76154   -0.2315   3.30778   40.6397   -0.2455   29.1236
 53  1    6.76000   0.07000   900.000   30.0000   40.3261   0.00783   7.02223   -0.2622   3.74618   40.6029   -0.2768   35.3623
 54  1    7.03000   0.07000   1000.00   30.0000   40.2990   0.00783   7.24366   -0.2137   3.05228   40.5235   -0.2245   28.6809
 55  1    7.38000   0.07000   1100.00   30.0000   40.1942   0.00783   7.54059   -0.1606   2.29413   40.3604   -0.1663   21.2370
 56  1    7.71000   0.07000   1200.00   30.0000   40.0653   0.00723   7.86233   -0.1523   2.17619   40.2206   -0.1553   21.4960
 57  1    8.04000   0.07000   1300.00   30.0000   39.9310   0.00662   8.19115   -0.1512   2.15931   40.0828   -0.1518   22.9117
 58  1    8.35000   0.07000   1400.00   30.0000   39.8870   0.00602   8.43007   -0.0801   1.14384   39.9668   -0.0797   13.2409
 59  1    8.73000   0.07000   1500.00   30.0000   39.8720   0.00602   8.63985   0.09015   1.28790   39.7832   0.08881   14.7479
 60  1    8.71000   0.07000   1600.00   30.0000   39.9226   0.00662   8.78366   -0.0737   1.05223   39.9966   -0.0740   11.1676
 61  1    8.71000   0.07000   1700.00   30.0000   40.0611   0.00662   8.84133   -0.1313   1.87616   40.1962   -0.1351   20.3987
 62  1    8.62000   0.07000   1800.00   30.0000   40.1803   0.00843   8.92059   -0.3006   4.29414   40.4989   -0.3186   37.7850
 63  1    7.32000   0.07000   600.000   30.0000   39.3908   0.00482   7.40107   -0.0811   1.15820   39.4653   -0.0745   15.4584
 64  1    7.52000   0.07000   700.000   30.0000   39.3685   0.00542   7.61831   -0.0983   1.40444   39.4589   -0.0903   16.6652
 65  1    7.78000   0.07000   800.000   30.0000   39.3324   0.00542   7.85093   -0.0709   1.01336   39.3973   -0.0649   11.9707
 66  1    8.03000   0.07000   900.000   30.0000   39.2921   0.00602   8.08836   -0.0584   0.83372   39.3452   -0.0532   8.82833
 67  1    8.26000   0.07000   1000.00   30.0000   39.2029   0.00602   8.38002   -0.1200   1.71452   39.3116   -0.1087   18.0475
 68  1    8.59000   0.07000   1100.00   30.0000   39.1108   0.00602   8.67590   -0.0859   1.22711   39.1876   -0.0769   12.7614
 69  1    8.95000   0.07000   1200.00   30.0000   38.9705   0.00602   9.02752   -0.0775   1.10752   39.0387   -0.0682   11.3235
 70  1    9.32000   0.07000   1300.00   30.0000   38.8494   0.00662   9.35920   -0.0392   0.55996   38.8834   -0.0339   5.12169
 71  1    9.66000   0.07000   1400.00   30.0000   38.7537   0.00662   9.66296   -0.0030   0.04228   38.7562   -0.0025   0.38064
 72  1    10.0200   0.07000   1500.00   30.0000   38.6736   0.00964   9.94923   0.07077   1.01094   38.6139   0.05968   6.19430
 73  1    10.3000   0.07000   1600.00   30.0000   38.5953   0.00723   10.2340   0.06596   0.94235   38.5401   0.05519   7.63671
 74  1    10.4700   0.07000   1700.00   30.0000   38.5574   0.00723   10.4711   -0.0011   0.01640   38.5583  -0.00097   0.13355
 75  1    10.6100   0.07000   1800.00   30.0000   38.5826   0.00903   10.6329   -0.0229   0.32650   38.6019   -0.0193   2.13133
 76  1    4.53000   0.07000   300.000   30.0000   41.9755   0.01746   4.39980   0.13020   1.85999   41.8134   0.16216   9.28522
 77  1    12.5300   0.07000   500.000   30.0000   35.5180   0.01265   12.7425   -0.2125   3.03587   35.6349   -0.1169   9.24408
 78  1    12.9200   0.07000   700.000   30.0000   35.5144   0.01204   13.1171   -0.1971   2.81581   35.6230   -0.1086   9.01646
 79  1    13.1700   0.07000   900.000   30.0000   35.5517   0.00783   13.4183   -0.2483   3.54699   35.6898   -0.1381   17.6424
 80  1    13.6100   0.07000   1100.00   30.0000   35.5668   0.00723   13.7609   -0.1509   2.15510   35.6508   -0.0840   11.6232
 81  1    13.4700   0.07000   1300.00   30.0000   35.9148   0.00843   13.5186   -0.0486   0.69496   35.9432   -0.0284   3.36540
 82  1    13.1400   0.07000   1400.00   30.0000   36.1876   0.00783   13.2453   -0.1053   1.50442   36.2517   -0.0640   8.17827
 83  1    12.9700   0.07000   1500.00   30.0000   36.4430   0.00964   13.0179   -0.0479   0.68395   36.4731   -0.0301   3.12487
 84  1    12.6200   0.07000   1600.00   30.0000   36.8585   0.00723   12.5623   0.05770   0.82427   36.8202   0.03828   5.29719
 85  1    12.2400   0.07000   1700.00   30.0000   37.1735   0.01024   12.2875   -0.0475   0.67915   37.2066   -0.0331   3.23579
 86  1    9.89000   0.07000   500.000   30.0000   37.1705   0.00482   10.0303   -0.1403   2.00438   37.2668   -0.0963   19.9979
 87  1    10.2500   0.07000   700.000   30.0000   37.1771   0.00542   10.3962   -0.1462   2.08833   37.2779   -0.1008   18.6008
 88  1    10.6100   0.07000   900.000   30.0000   37.2036   0.00662   10.7343   -0.1243   1.77593   37.2898   -0.0862   13.0150
 89  1    10.9600   0.07000   1100.00   30.0000   37.2102   0.00662   11.1020   -0.1420   2.02793   37.3091   -0.0989   14.9338
 90  1    11.3500   0.07000   1300.00   30.0000   37.1530   0.00723   11.5622   -0.2122   3.03078   37.3006   -0.1476   20.4307
 91  1    11.5900   0.07000   1400.00   30.0000   37.1102   0.00783   11.8130   -0.2230   3.18534   37.2648   -0.1546   19.7464
 92  1    11.7800   0.07000   1500.00   30.0000   37.0994   0.00843   12.0174   -0.2374   3.39099   37.2641   -0.1647   19.5341
 93  1    10.0300   0.07000   300.000   30.0000   36.9235   0.00482   10.0269   0.00312   0.04455   36.9215   0.00206   0.42678
 94  1    12.9500   0.07000   500.000   30.0000   35.5481   0.00783   12.6874   0.26256   3.75088   35.4056   0.14248   18.1989
 95  1    13.1200   0.07000   600.000   30.0000   35.4993   0.00843   12.9605   0.15951   2.27878   35.4129   0.08642   10.2501
 96  1    13.3300   0.07000   700.000   30.0000   35.4794   0.00783   13.1811   0.14887   2.12676   35.3989   0.08057   10.2915
 97  1    13.5600   0.07000   800.000   30.0000   35.4138   0.00843   13.4865   0.07346   1.04949   35.3742   0.03957   4.69292
 98  1    13.7700   0.07000   900.000   30.0000   35.3735   0.00843   13.7458   0.02421   0.34582   35.3605   0.01300   1.54199
 99  1    13.9800   0.07000   1000.00   30.0000   35.3542   0.00903   13.9661   0.01390   0.19864   35.3467   0.00746   0.82601
100  1    14.2300   0.07000   1100.00   30.0000   35.3156   0.00964   14.2225   0.00751   0.10733   35.3116   0.00402   0.41689
<-------------------------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    14.4700   0.07000   1200.00   30.0000   35.2518   0.01084   14.5267   -0.0567   0.81051   35.2820   -0.0302   2.78294
102  1    14.7500   0.07000   1300.00   30.0000   35.2042   0.00964   14.8010   -0.0510   0.72821   35.2312   -0.0270   2.79745
103  1    15.0100   0.07000   1400.00   30.0000   35.1639   0.00964   15.0619   -0.0519   0.74125   35.1912   -0.0273   2.83467
104  1    15.2200   0.07000   1500.00   30.0000   35.1422   0.01024   15.2874   -0.0674   0.96327   35.1777   -0.0355   3.46308
105  1    15.3600   0.07000   1600.00   30.0000   35.1988   0.00903   15.3643   -0.0043   0.06132   35.2011   -0.0023   0.25084
106  1    15.3200   0.07000   1700.00   30.0000   35.3096   0.01024   15.3412   -0.0212   0.30253   35.3210   -0.0114   1.11412
107  1    15.1700   0.07000   1800.00   30.0000   35.5457   0.01084   15.0948   0.07516   1.07373   35.5040   0.04173   3.84994
108  1    20.3900   0.07000   800.000   30.0000   32.3780   0.00662   20.5010   -0.1110   1.58544   32.4171   -0.0390   5.89104
109  1    20.1500   0.07000   500.000   30.0000   32.3244   0.00482   20.1247   0.02530   0.36147   32.3157   0.00877   1.82116
110  1    20.2400   0.07000   600.000   30.0000   32.3275   0.00542   20.2922   -0.0522   0.74515   32.3456   -0.0181   3.34811
111  1    20.3700   0.07000   700.000   30.0000   32.3660   0.00542   20.3583   0.01172   0.16749   32.3619   0.00410   0.75662
112  1    20.4400   0.07000   800.000   30.0000   32.3913   0.00482   20.4632   -0.0232   0.33180   32.3995   -0.0082   1.69526
113  1    20.5200   0.07000   900.000   30.0000   32.4383   0.00542   20.5075   0.01255   0.17926   32.4338   0.00444   0.81855
114  1    20.4600   0.07000   1000.00   30.0000   32.5099   0.00482   20.4839   -0.0239   0.34161   32.5185   -0.0086   1.77919
115  1    20.2500   0.07000   1100.00   30.0000   32.5900   0.00542   20.4397   -0.1897   2.70933   32.6592   -0.0691   12.7569
116  1    20.0300   0.07000   1200.00   30.0000   32.7339   0.00662   20.2255   -0.1955   2.79271   32.8068   -0.0729   10.9995
117  1    19.7400   0.07000   1300.00   30.0000   32.9321   0.00542   19.8777   -0.1377   1.96781   32.9849   -0.0528   9.74520
118  1    19.3700   0.07000   1400.00   30.0000   33.1820   0.00542   19.4148   -0.0448   0.64054   33.1998   -0.0178   3.28406
119  1    19.0100   0.07000   1500.00   30.0000   33.5096   0.00662   18.7882   0.22180   3.16851   33.4179   0.09167   13.8379
120  1    18.5500   0.07000   1600.00   30.0000   33.8203   0.00602   18.2390   0.31102   4.44320   33.6862   0.13414   22.2751
121  1    18.0600   0.07000   1700.00   30.0000   34.1491   0.00602   17.6834   0.37658   5.37970   33.9792   0.16998   28.2257
122  1    17.4500   0.07000   1800.00   30.0000   34.4822   0.00903   17.1543   0.29567   4.22382   34.3418   0.14039   15.5418
123  1    14.8100   0.07000   500.000   30.0000   34.5821   0.00723   14.5730   0.23695   3.38505   34.4694   0.11271   15.5960
124  1    16.2300   0.07000   1300.00   30.0000   34.6068   0.00542   15.9816   0.24844   3.54919   34.4873   0.11958   22.0636

EOSFIT-7.6>fit
     124 data for V will be used in least-squares
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 10:33
 
   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:  13.6800           :Bulk modulus: units are GPa
      Kp:  4.96000           :dK/dP: dimensionless
     Kpp: -0.4218            :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:  2.22000           :Gruneisen parameter at Tref,Pref
       q:  1.43000           :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)?n
           REFINE Kp     (Y/N)?n
     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      0        13.68000  [NOT REFINED]
 Kp      0         4.96000  [NOT REFINED]
 Kpp     0        -0.42182  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       118.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.21407         -0.00593          0.06102          -0.10
 q       1         1.42931         -0.00069          0.08969          -0.01
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.21 (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      0        13.68000  [NOT REFINED]
 Kp      0         4.96000  [NOT REFINED]
 Kpp     0        -0.42182  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       118.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.21408          0.00001          0.06098           0.00
 q       1         1.42932          0.00001          0.08986           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.21 (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      0        13.68000  [NOT REFINED]
 Kp      0         4.96000  [NOT REFINED]
 Kpp     0        -0.42182  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       118.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.21408          0.00001          0.06098           0.00
 q       1         1.42932          0.00001          0.08986           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.21 (AND ESD'S RESCALED BY W-CHI^2)

 INPUT <CR> TO CONTINUE

  THE 124 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   0.53624   0.00376       INF   49.2983   0.01137   4.39140   1364994.5
  2  1    1.46000   0.03000   300.000   0.00000   46.9013   0.00283   1.45552   0.00448   0.14944   46.8910   0.01022   3.61199   1109.2050
  3  1    2.64000   0.04000   300.000   0.00000   44.5439   0.00337   2.64861   -0.0086   0.21535   44.5588   -0.0148   4.40131   623.50476
  4  1    4.15000   0.06000   300.000   0.00000   42.2292   0.00313   4.20127   -0.0513   0.85445   42.2961   -0.0668   21.3386   277.32776
  5  1    6.03000   0.06000   300.000   0.00000   40.1035   0.00379   6.07599   -0.0460   0.76648   40.1494   -0.0459   12.0968   276.65811
  6  1    7.83000   0.06000   300.000   0.00000   38.4809   0.00289   7.88832   -0.0583   0.97207   38.5281   -0.0473   16.3495   276.79340
  7  1    10.0100   0.03000   300.000   0.00000   36.9276   0.00379   10.0207   -0.0107   0.35505   36.9347   -0.0070   1.84906   1071.6176
  8  1    11.8400   0.06000   300.000   0.00000   35.8054   0.00301   11.8602   -0.0202   0.33600   35.8168   -0.0114   3.79307   275.61288
  9  1    13.4900   0.06000   300.000   0.00000   34.9349   0.00337   13.4934   -0.0034   0.05606   34.9366   -0.0017   0.49997   274.34082
 10  1    14.8600   0.03000   300.000   0.00000   34.2741   0.00295   14.8711   -0.0111   0.37136   34.2792   -0.0051   1.72969   1061.9960
 11  1    16.9700   0.06000   300.000   0.00000   33.3686   0.00343   16.9797   -0.0097   0.16111   33.3725   -0.0039   1.13576   272.27762
 12  1    18.7100   0.08000   300.000   0.00000   32.7264   0.00319   18.6492   0.06080   0.75996   32.7041   0.02230   6.98702   154.42473
 13  1    20.1900   0.00000   300.000   0.00000   32.1839   0.00349   20.1858   0.00419       INF   32.1825   0.00143   0.40846   9447.5225
 14  1    22.4900   0.03000   300.000   0.00000   31.4453   0.00313   22.4854   0.00456   0.15195   31.4439   0.00139   0.44341   993.83698
 15  1    24.3400   0.03000   300.000   0.00000   30.9119   0.00331   24.3108   0.02915   0.97173   30.9037   0.00818   2.47044   961.97491
 16  1    26.0500   0.02000   300.000   0.00000   30.4264   0.00373   26.1053   -0.0553   2.76432   30.4409   -0.0144   3.86504   1653.4390
 17  1    2.97000   0.07000   300.000   30.0000   43.7954   0.01204   3.10368   -0.1337   1.90973   44.0084   -0.2129   17.6788   117.02398
 18  1    2.43000   0.07000   500.000   30.0000   45.7635   0.00662   2.39879   0.03121   0.44590   45.7010   0.06247   9.43027   114.91839
 19  1    2.66000   0.07000   600.000   30.0000   45.7610   0.00662   2.60532   0.05468   0.78119   45.6515   0.10954   16.5352   114.79848
 20  1    2.83000   0.07000   700.000   30.0000   45.8008   0.00783   2.79127   0.03873   0.55323   45.7224   0.07840   10.0143   114.63229
 21  1    2.97000   0.07000   800.000   30.0000   45.9260   0.00783   2.93616   0.03384   0.48342   45.8562   0.06987   8.92525   114.47156
 22  1    2.96000   0.07000   900.000   30.0000   46.4289   0.00843   2.90796   0.05204   0.74338   46.3145   0.11438   13.5661   113.96019
 23  1    2.95000   0.07000   1000.00   30.0000   46.7710   0.01144   2.96437   -0.0144   0.20523   46.8043   -0.0334   2.91552   113.49170
 24  1    2.92000   0.07000   1100.00   30.0000   47.4412   0.01445   2.89574   0.02426   0.34663   47.3801   0.06108   4.22587   112.75204
 25  1    2.89000   0.07000   1200.00   30.0000   48.1416   0.01506   2.84051   0.04949   0.70706   48.0058   0.13577   9.01798   112.14536
 26  1    5.03000   0.07000   500.000   30.0000   41.6485   0.00783   5.05690   -0.0269   0.38422   41.6813   -0.0327   4.18074   118.67319
 27  1    5.28000   0.07000   600.000   30.0000   41.5859   0.00783   5.30544   -0.0254   0.36342   41.6167   -0.0308   3.93321   118.56433
 28  1    5.40000   0.07000   700.000   30.0000   41.6690   0.00662   5.43425   -0.0343   0.48930   41.7110   -0.0420   6.34482   118.55131
 29  1    5.48000   0.07000   800.000   30.0000   41.7882   0.00662   5.53521   -0.0552   0.78867   41.8573   -0.0691   10.4248   118.37523
 30  1    5.54000   0.07000   900.000   30.0000   41.9797   0.00723   5.58146   -0.0415   0.59222   42.0329   -0.0532   7.36275   118.08273
 31  1    5.56000   0.07000   1000.00   30.0000   42.2802   0.00843   5.54977   0.01023   0.14616   42.2666   0.01362   1.61529   117.63098
 32  1    5.54000   0.07000   1100.00   30.0000   42.6319   0.00903   5.49108   0.04892   0.69881   42.5640   0.06798   7.52575   117.22794
 33  1    5.49000   0.07000   1200.00   30.0000   43.0131   0.00843   5.42485   0.06515   0.93077   42.9180   0.09509   11.2785   116.95255
 34  1    5.44000   0.07000   1300.00   30.0000   43.3998   0.00903   5.36908   0.07092   1.01318   43.2909   0.10889   12.0540   116.54015
 35  1    5.44000   0.07000   1400.00   30.0000   43.8990   0.01024   5.25830   0.18170   2.59570   43.6045   0.29446   28.7621   115.98198
 36  1    8.34000   0.07000   500.000   30.0000   38.4965   0.01265   8.24671   0.09329   1.33269   38.4211   0.07544   5.96494   119.20637
 37  1    8.30000   0.07000   600.000   30.0000   38.7133   0.01024   8.17421   0.12579   1.79701   38.6087   0.10461   10.2182   120.09358
 38  1    8.30000   0.07000   700.000   30.0000   38.8561   0.00843   8.19657   0.10343   1.47751   38.7682   0.08789   10.4247   120.56970
 39  1    8.29000   0.07000   800.000   30.0000   39.0355   0.00723   8.18086   0.10914   1.55916   38.9404   0.09507   13.1556   120.71931
 40  1    8.25000   0.07000   900.000   30.0000   39.2523   0.00662   8.12940   0.12060   1.72292   39.1441   0.10817   16.3291   120.63444
 41  1    8.17000   0.07000   1000.00   30.0000   39.4932   0.00662   8.05988   0.11012   1.57318   39.3911   0.10214   15.4186   120.38679
 42  1    8.10000   0.07000   1100.00   30.0000   39.7485   0.00602   7.98454   0.11546   1.64937   39.6377   0.11084   18.4054   120.25146
 43  1    7.98000   0.07000   1200.00   30.0000   40.0773   0.00723   7.84606   0.13394   1.91338   39.9431   0.13425   18.5779   119.70459
 44  1    7.77000   0.07000   1300.00   30.0000   40.5959   0.00783   7.54554   0.22446   3.20653   40.3564   0.23943   30.5837   119.12937
 45  1    7.53000   0.07000   1400.00   30.0000   41.1077   0.00903   7.28486   0.24514   3.50202   40.8285   0.27921   30.9092   118.46784
 46  1    7.29000   0.07000   1500.00   30.0000   41.5546   0.00903   7.10789   0.18211   2.60159   41.3336   0.22099   24.4641   118.09982
 47  1    6.95000   0.07000   1600.00   30.0000   42.0779   0.01265   6.89527   0.05473   0.78180   42.0060   0.07187   5.68291   117.03981
 48  1    6.71000   0.07000   1700.00   30.0000   42.7313   0.01084   6.62008   0.08992   1.28457   42.6031   0.12824   11.8306   116.85950
 49  1    5.93000   0.07000   500.000   30.0000   40.5669   0.00783   6.01074   -0.0807   1.15341   40.6530   -0.0861   10.9922   119.64364
 50  1    6.18000   0.07000   600.000   30.0000   40.5007   0.00783   6.26796   -0.0880   1.25651   40.5939   -0.0932   11.9078   119.52431
<-------------------------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    6.32000   0.07000   700.000   30.0000   40.4537   0.00783   6.50735   -0.1874   2.67649   40.6529   -0.1992   25.4387   119.45518
 52  1    6.53000   0.07000   800.000   30.0000   40.3941   0.00843   6.75912   -0.2291   3.27316   40.6370   -0.2429   28.8127   119.30827
 53  1    6.76000   0.07000   900.000   30.0000   40.3261   0.00783   7.01932   -0.2593   3.70462   40.5998   -0.2737   34.9613   119.44400
 54  1    7.03000   0.07000   1000.00   30.0000   40.2990   0.00783   7.24026   -0.2103   3.00377   40.5199   -0.2209   28.2171   119.43330
 55  1    7.38000   0.07000   1100.00   30.0000   40.1942   0.00783   7.53671   -0.1567   2.23874   40.3564   -0.1622   20.7180   119.50119
 56  1    7.71000   0.07000   1200.00   30.0000   40.0653   0.00723   7.85798   -0.1480   2.11398   40.2162   -0.1508   20.8736   119.71502
 57  1    8.04000   0.07000   1300.00   30.0000   39.9310   0.00662   8.18632   -0.1463   2.09030   40.0779   -0.1469   22.1694   119.93739
 58  1    8.35000   0.07000   1400.00   30.0000   39.8870   0.00602   8.42476   -0.0748   1.06795   39.9615   -0.0744   12.3560   120.07796
 59  1    8.73000   0.07000   1500.00   30.0000   39.8720   0.00602   8.63405   0.09595   1.37070   39.7775   0.09448   15.6885   120.08443
 60  1    8.71000   0.07000   1600.00   30.0000   39.9226   0.00662   8.77737   -0.0674   0.96239   39.9902   -0.0676   10.2094   119.92230
 61  1    8.71000   0.07000   1700.00   30.0000   40.0611   0.00662   8.83454   -0.1245   1.77913   40.1891   -0.1281   19.3310   119.79121
 62  1    8.62000   0.07000   1800.00   30.0000   40.1803   0.00843   8.91329   -0.2933   4.18991   40.4910   -0.3106   36.8448   119.32345
 63  1    7.32000   0.07000   600.000   30.0000   39.3908   0.00482   7.39966   -0.0797   1.13793   39.4640   -0.0732   15.1853   121.12174
 64  1    7.52000   0.07000   700.000   30.0000   39.3685   0.00542   7.61641   -0.0964   1.37734   39.4571   -0.0886   16.3401   120.91635
 65  1    7.78000   0.07000   800.000   30.0000   39.3324   0.00542   7.84856   -0.0686   0.97945   39.3951   -0.0627   11.5681   120.87064
 66  1    8.03000   0.07000   900.000   30.0000   39.2921   0.00602   8.08551   -0.0555   0.79298   39.3426   -0.0506   8.39568   120.73319
 67  1    8.26000   0.07000   1000.00   30.0000   39.2029   0.00602   8.37669   -0.1167   1.66701   39.3086   -0.1056   17.5433   120.77867
 68  1    8.59000   0.07000   1100.00   30.0000   39.1108   0.00602   8.67210   -0.0821   1.17284   39.1842   -0.0734   12.1932   120.83353
 69  1    8.95000   0.07000   1200.00   30.0000   38.9705   0.00602   9.02326   -0.0733   1.04659   39.0349   -0.0644   10.6970   120.94102
 70  1    9.32000   0.07000   1300.00   30.0000   38.8494   0.00662   9.35447   -0.0345   0.49235   38.8793   -0.0298   4.50149   120.88238
 71  1    9.66000   0.07000   1400.00   30.0000   38.7537   0.00662   9.65776   0.00224   0.03202   38.7518   0.00191   0.28851   120.95279
 72  1    10.0200   0.07000   1500.00   30.0000   38.6736   0.00964   9.94357   0.07643   1.09189   38.6091   0.06443   6.68720   120.02333
 73  1    10.3000   0.07000   1600.00   30.0000   38.5953   0.00723   10.2279   0.07210   1.02998   38.5350   0.06029   8.34247   120.90195
 74  1    10.4700   0.07000   1700.00   30.0000   38.5574   0.00723   10.4645   0.00546   0.07793   38.5528   0.00456   0.63133   120.92556
 75  1    10.6100   0.07000   1800.00   30.0000   38.5826   0.00903   10.6258   -0.0158   0.22533   38.5959   -0.0133   1.47002   120.29945
 76  1    4.53000   0.07000   300.000   30.0000   41.9755   0.01746   4.39980   0.13020   1.85999   41.8134   0.16216   9.28522   117.14264
 77  1    12.5300   0.07000   500.000   30.0000   35.5180   0.01265   12.7416   -0.2116   3.02353   35.6344   -0.1164   9.20668   118.27661
 78  1    12.9200   0.07000   700.000   30.0000   35.5144   0.01204   13.1154   -0.1954   2.79086   35.6220   -0.1076   8.93538   118.63460
 79  1    13.1700   0.07000   900.000   30.0000   35.5517   0.00783   13.4157   -0.2457   3.50930   35.6883   -0.1366   17.4534   122.53402
 80  1    13.6100   0.07000   1100.00   30.0000   35.5668   0.00723   13.7573   -0.1473   2.10466   35.6488   -0.0820   11.3498   122.90202
 81  1    13.4700   0.07000   1300.00   30.0000   35.9148   0.00843   13.5142   -0.0442   0.63126   35.9406   -0.0258   3.05683   121.86880
 82  1    13.1400   0.07000   1400.00   30.0000   36.1876   0.00783   13.2404   -0.1004   1.43389   36.2487   -0.0610   7.79284   122.18710
 83  1    12.9700   0.07000   1500.00   30.0000   36.4430   0.00964   13.0125   -0.0425   0.60652   36.4697   -0.0267   2.76974   120.87592
 84  1    12.6200   0.07000   1600.00   30.0000   36.8585   0.00723   12.5564   0.06363   0.90893   36.8163   0.04220   5.83931   122.14570
 85  1    12.2400   0.07000   1700.00   30.0000   37.1735   0.01024   12.2811   -0.0411   0.58734   37.2021   -0.0286   2.79759   120.35006
 86  1    9.89000   0.07000   500.000   30.0000   37.1705   0.00482   10.0294   -0.1394   1.99156   37.2662   -0.0957   19.8688   123.52452
 87  1    10.2500   0.07000   700.000   30.0000   37.1771   0.00542   10.3944   -0.1444   2.06244   37.2766   -0.0996   18.3678   122.94899
 88  1    10.6100   0.07000   900.000   30.0000   37.2036   0.00662   10.7316   -0.1216   1.73689   37.2879   -0.0843   12.7271   122.31505
 89  1    10.9600   0.07000   1100.00   30.0000   37.2102   0.00662   11.0983   -0.1383   1.97570   37.3066   -0.0964   14.5462   122.23937
 90  1    11.3500   0.07000   1300.00   30.0000   37.1530   0.00723   11.5576   -0.2076   2.96541   37.2974   -0.1444   19.9847   121.98455
 91  1    11.5900   0.07000   1400.00   30.0000   37.1102   0.00783   11.8079   -0.2179   3.11345   37.2613   -0.1511   19.2947   121.71603
 92  1    11.7800   0.07000   1500.00   30.0000   37.0994   0.00843   12.0119   -0.2319   3.31252   37.2602   -0.1608   19.0758   121.40671
 93  1    10.0300   0.07000   300.000   30.0000   36.9235   0.00482   10.0269   0.00312   0.04455   36.9215   0.00206   0.42678   125.07793
 94  1    12.9500   0.07000   500.000   30.0000   35.5481   0.00783   12.6866   0.26343   3.76323   35.4052   0.14294   18.2578   123.08595
 95  1    13.1200   0.07000   600.000   30.0000   35.4993   0.00843   12.9592   0.16082   2.29739   35.4122   0.08712   10.3333   122.35677
 96  1    13.3300   0.07000   700.000   30.0000   35.4794   0.00783   13.1794   0.15062   2.15169   35.3979   0.08151   10.4114   122.71050
 97  1    13.5600   0.07000   800.000   30.0000   35.4138   0.00843   13.4844   0.07565   1.08072   35.3731   0.04073   4.83093   122.13170
 98  1    13.7700   0.07000   900.000   30.0000   35.3735   0.00843   13.7432   0.02683   0.38335   35.3590   0.01442   1.71030   122.07191
 99  1    13.9800   0.07000   1000.00   30.0000   35.3542   0.00903   13.9630   0.01697   0.24249   35.3451   0.00911   1.00802   121.49355
100  1    14.2300   0.07000   1100.00   30.0000   35.3156   0.00964   14.2190   0.01102   0.15749   35.3097   0.00589   0.61167   120.88882
<-------------------------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    14.4700   0.07000   1200.00   30.0000   35.2518   0.01084   14.5228   -0.0528   0.75408   35.2799   -0.0281   2.58833   119.59249
102  1    14.7500   0.07000   1300.00   30.0000   35.2042   0.00964   14.7966   -0.0466   0.66549   35.2289   -0.0246   2.55516   120.83427
103  1    15.0100   0.07000   1400.00   30.0000   35.1639   0.00964   15.0571   -0.0471   0.67225   35.1886   -0.0248   2.56981   120.81557
104  1    15.2200   0.07000   1500.00   30.0000   35.1422   0.01024   15.2822   -0.0622   0.88794   35.1749   -0.0327   3.19107   120.17847
105  1    15.3600   0.07000   1600.00   30.0000   35.1988   0.00903   15.3586   0.00143   0.02045   35.1981   0.00076   0.08404   121.41190
106  1    15.3200   0.07000   1700.00   30.0000   35.3096   0.01024   15.3350   -0.0150   0.21420   35.3177   -0.0081   0.78957   120.25014
107  1    15.1700   0.07000   1800.00   30.0000   35.5457   0.01084   15.0882   0.08182   1.16891   35.5003   0.04541   4.18919   119.74986
108  1    20.3900   0.07000   800.000   30.0000   32.3780   0.00662   20.4990   -0.1090   1.55645   32.4163   -0.0383   5.78336   123.90911
109  1    20.1500   0.07000   500.000   30.0000   32.3244   0.00482   20.1239   0.02610   0.37283   32.3154   0.00905   1.87896   127.17476
110  1    20.2400   0.07000   600.000   30.0000   32.3275   0.00542   20.2910   -0.0510   0.72795   32.3452   -0.0177   3.27069   126.04202
111  1    20.3700   0.07000   700.000   30.0000   32.3660   0.00542   20.3567   0.01334   0.19057   32.3613   0.00466   0.85937   125.86479
112  1    20.4400   0.07000   800.000   30.0000   32.3913   0.00482   20.4612   -0.0212   0.30278   32.3987   -0.0075   1.54640   126.54198
113  1    20.5200   0.07000   900.000   30.0000   32.4383   0.00542   20.5050   0.01500   0.21425   32.4330   0.00531   0.97903   125.66044
114  1    20.4600   0.07000   1000.00   30.0000   32.5099   0.00482   20.4810   -0.0210   0.30060   32.5175   -0.0075   1.56540   126.36364
115  1    20.2500   0.07000   1100.00   30.0000   32.5900   0.00542   20.4364   -0.1864   2.66222   32.6579   -0.0679   12.5331   125.54816
116  1    20.0300   0.07000   1200.00   30.0000   32.7339   0.00662   20.2218   -0.1918   2.73944   32.8054   -0.0715   10.7882   123.85401
117  1    19.7400   0.07000   1300.00   30.0000   32.9321   0.00542   19.8736   -0.1336   1.90825   32.9833   -0.0512   9.44819   125.42532
118  1    19.3700   0.07000   1400.00   30.0000   33.1820   0.00542   19.4102   -0.0402   0.57455   33.1979   -0.0160   2.94341   125.32632
119  1    19.0100   0.07000   1500.00   30.0000   33.5096   0.00662   18.7831   0.22688   3.24116   33.4158   0.09375   14.1523   123.90093
120  1    18.5500   0.07000   1600.00   30.0000   33.8203   0.00602   18.2334   0.31658   4.52251   33.6838   0.13651   22.6685   124.48306
121  1    18.0600   0.07000   1700.00   30.0000   34.1491   0.00602   17.6774   0.38261   5.46583   33.9765   0.17266   28.6716   124.36094
122  1    17.4500   0.07000   1800.00   30.0000   34.4822   0.00903   17.1478   0.30218   4.31685   34.3387   0.14344   15.8792   121.24995
123  1    14.8100   0.07000   500.000   30.0000   34.5821   0.00723   14.5722   0.23780   3.39711   34.4690   0.11310   15.6509   123.86336
124  1    16.2300   0.07000   1300.00   30.0000   34.6068   0.00542   15.9772   0.25278   3.61110   34.4852   0.12164   22.4437   124.64989

  FITTING STATISTICS FOR 2 PARAMETERS FITTED TO 124 DATA:
      CHI^2 (WEIGHTED)=   2.2097
      MAXIMUM DELTA-PRESSURE= 0.383


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      Gamm0     q
    Gamm0:     100.0      95.8
    q    :      95.8     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     Gamm0     q
    Gamm0:   0.00372   0.00525
    q    :   0.00525   0.00808

*****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
     124 data for V will be used in least-squares
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 10:33
 
   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:  13.6800           :Bulk modulus: units are GPa
      Kp:  4.96000           :dK/dP: dimensionless
     Kpp: -0.4218            :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:  2.21(6)           :Gruneisen parameter at Tref,Pref
       q:  1.43(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)?n
           REFINE Kp     (Y/N)?n
     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      0        13.68000  [NOT REFINED]
 Kp      0         4.96000  [NOT REFINED]
 Kpp     0        -0.42182  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       118.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.21407         -0.00001          0.06098          -0.00
 q       1         1.42931         -0.00001          0.08986          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.21 (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      0        13.68000  [NOT REFINED]
 Kp      0         4.96000  [NOT REFINED]
 Kpp     0        -0.42182  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       118.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.21407         -0.00001          0.06098          -0.00
 q       1         1.42931         -0.00001          0.08986          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   2.21 (AND ESD'S RESCALED BY W-CHI^2)

 INPUT <CR> TO CONTINUE

  THE 124 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   0.53624   0.00376       INF   49.2983   0.01137   4.39140   1364994.5
  2  1    1.46000   0.03000   300.000   0.00000   46.9013   0.00283   1.45552   0.00448   0.14944   46.8910   0.01022   3.61199   1109.2050
  3  1    2.64000   0.04000   300.000   0.00000   44.5439   0.00337   2.64861   -0.0086   0.21535   44.5588   -0.0148   4.40131   623.50476
  4  1    4.15000   0.06000   300.000   0.00000   42.2292   0.00313   4.20127   -0.0513   0.85445   42.2961   -0.0668   21.3386   277.32776
  5  1    6.03000   0.06000   300.000   0.00000   40.1035   0.00379   6.07599   -0.0460   0.76648   40.1494   -0.0459   12.0968   276.65811
  6  1    7.83000   0.06000   300.000   0.00000   38.4809   0.00289   7.88832   -0.0583   0.97207   38.5281   -0.0473   16.3495   276.79340
  7  1    10.0100   0.03000   300.000   0.00000   36.9276   0.00379   10.0207   -0.0107   0.35505   36.9347   -0.0070   1.84906   1071.6176
  8  1    11.8400   0.06000   300.000   0.00000   35.8054   0.00301   11.8602   -0.0202   0.33600   35.8168   -0.0114   3.79307   275.61288
  9  1    13.4900   0.06000   300.000   0.00000   34.9349   0.00337   13.4934   -0.0034   0.05606   34.9366   -0.0017   0.49997   274.34082
 10  1    14.8600   0.03000   300.000   0.00000   34.2741   0.00295   14.8711   -0.0111   0.37136   34.2792   -0.0051   1.72969   1061.9960
 11  1    16.9700   0.06000   300.000   0.00000   33.3686   0.00343   16.9797   -0.0097   0.16111   33.3725   -0.0039   1.13576   272.27762
 12  1    18.7100   0.08000   300.000   0.00000   32.7264   0.00319   18.6492   0.06080   0.75996   32.7041   0.02230   6.98702   154.42473
 13  1    20.1900   0.00000   300.000   0.00000   32.1839   0.00349   20.1858   0.00419       INF   32.1825   0.00143   0.40846   9447.5225
 14  1    22.4900   0.03000   300.000   0.00000   31.4453   0.00313   22.4854   0.00456   0.15195   31.4439   0.00139   0.44341   993.83698
 15  1    24.3400   0.03000   300.000   0.00000   30.9119   0.00331   24.3108   0.02915   0.97173   30.9037   0.00818   2.47044   961.97491
 16  1    26.0500   0.02000   300.000   0.00000   30.4264   0.00373   26.1053   -0.0553   2.76432   30.4409   -0.0144   3.86504   1653.4390
 17  1    2.97000   0.07000   300.000   30.0000   43.7954   0.01204   3.10368   -0.1337   1.90973   44.0084   -0.2129   17.6788   117.02360
 18  1    2.43000   0.07000   500.000   30.0000   45.7635   0.00662   2.39879   0.03121   0.44591   45.7010   0.06247   9.42970   114.91800
 19  1    2.66000   0.07000   600.000   30.0000   45.7610   0.00662   2.60532   0.05468   0.78120   45.6515   0.10954   16.5352   114.79848
 20  1    2.83000   0.07000   700.000   30.0000   45.8008   0.00783   2.79127   0.03873   0.55325   45.7224   0.07840   10.0143   114.63187
 21  1    2.97000   0.07000   800.000   30.0000   45.9260   0.00783   2.93616   0.03384   0.48345   45.8562   0.06988   8.92622   114.47079
 22  1    2.96000   0.07000   900.000   30.0000   46.4289   0.00843   2.90796   0.05204   0.74341   46.3145   0.11438   13.5670   113.96017
 23  1    2.95000   0.07000   1000.00   30.0000   46.7710   0.01144   2.96436   -0.0144   0.20518   46.8043   -0.0334   2.91485   113.49170
 24  1    2.92000   0.07000   1100.00   30.0000   47.4412   0.01445   2.89573   0.02427   0.34669   47.3801   0.06108   4.22640   112.75204
 25  1    2.89000   0.07000   1200.00   30.0000   48.1416   0.01506   2.84050   0.04950   0.70712   48.0058   0.13579   9.01925   112.14492
 26  1    5.03000   0.07000   500.000   30.0000   41.6485   0.00783   5.05690   -0.0269   0.38421   41.6813   -0.0327   4.18074   118.67319
 27  1    5.28000   0.07000   600.000   30.0000   41.5859   0.00783   5.30544   -0.0254   0.36341   41.6167   -0.0308   3.93321   118.56362
 28  1    5.40000   0.07000   700.000   30.0000   41.6690   0.00662   5.43425   -0.0342   0.48928   41.7110   -0.0420   6.34424   118.55210
 29  1    5.48000   0.07000   800.000   30.0000   41.7882   0.00662   5.53521   -0.0552   0.78865   41.8573   -0.0691   10.4248   118.37523
 30  1    5.54000   0.07000   900.000   30.0000   41.9797   0.00723   5.58145   -0.0415   0.59220   42.0329   -0.0532   7.36222   118.08187
 31  1    5.56000   0.07000   1000.00   30.0000   42.2802   0.00843   5.54977   0.01023   0.14618   42.2666   0.01362   1.61529   117.63027
 32  1    5.54000   0.07000   1100.00   30.0000   42.6319   0.00903   5.49108   0.04892   0.69884   42.5640   0.06798   7.52575   117.22803
 33  1    5.49000   0.07000   1200.00   30.0000   43.0131   0.00843   5.42484   0.06516   0.93080   42.9180   0.09509   11.2785   116.95334
 34  1    5.44000   0.07000   1300.00   30.0000   43.3998   0.00903   5.36907   0.07093   1.01322   43.2909   0.10890   12.0553   116.54022
 35  1    5.44000   0.07000   1400.00   30.0000   43.8990   0.01024   5.25830   0.18170   2.59574   43.6045   0.29446   28.7621   115.98285
 36  1    8.34000   0.07000   500.000   30.0000   38.4965   0.01265   8.24671   0.09329   1.33269   38.4211   0.07544   5.96494   119.20637
 37  1    8.30000   0.07000   600.000   30.0000   38.7133   0.01024   8.17421   0.12579   1.79701   38.6087   0.10461   10.2182   120.09358
 38  1    8.30000   0.07000   700.000   30.0000   38.8561   0.00843   8.19657   0.10343   1.47751   38.7682   0.08789   10.4242   120.56970
 39  1    8.29000   0.07000   800.000   30.0000   39.0355   0.00723   8.18086   0.10914   1.55918   38.9404   0.09507   13.1556   120.71931
 40  1    8.25000   0.07000   900.000   30.0000   39.2523   0.00662   8.12939   0.12061   1.72294   39.1441   0.10817   16.3291   120.63425
 41  1    8.17000   0.07000   1000.00   30.0000   39.4932   0.00662   8.05988   0.11012   1.57318   39.3911   0.10214   15.4186   120.38519
 42  1    8.10000   0.07000   1100.00   30.0000   39.7485   0.00602   7.98454   0.11546   1.64937   39.6377   0.11085   18.4067   120.25137
 43  1    7.98000   0.07000   1200.00   30.0000   40.0773   0.00723   7.84606   0.13394   1.91340   39.9431   0.13425   18.5774   119.70530
 44  1    7.77000   0.07000   1300.00   30.0000   40.5959   0.00783   7.54554   0.22446   3.20655   40.3564   0.23943   30.5832   119.12847
 45  1    7.53000   0.07000   1400.00   30.0000   41.1077   0.00903   7.28486   0.24514   3.50205   40.8285   0.27921   30.9092   118.46774
 46  1    7.29000   0.07000   1500.00   30.0000   41.5546   0.00903   7.10789   0.18211   2.60162   41.3336   0.22100   24.4649   118.09913
 47  1    6.95000   0.07000   1600.00   30.0000   42.0779   0.01265   6.89527   0.05473   0.78184   42.0060   0.07187   5.68321   117.04034
 48  1    6.71000   0.07000   1700.00   30.0000   42.7313   0.01084   6.62008   0.08992   1.28462   42.6031   0.12825   11.8314   116.85950
 49  1    5.93000   0.07000   500.000   30.0000   40.5669   0.00783   6.01074   -0.0807   1.15341   40.6530   -0.0861   10.9922   119.64353
 50  1    6.18000   0.07000   600.000   30.0000   40.5007   0.00783   6.26795   -0.0880   1.25650   40.5939   -0.0932   11.9073   119.52420
<-------------------------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    6.32000   0.07000   700.000   30.0000   40.4537   0.00783   6.50735   -0.1874   2.67648   40.6529   -0.1992   25.4392   119.45599
 52  1    6.53000   0.07000   800.000   30.0000   40.3941   0.00843   6.75912   -0.2291   3.27315   40.6370   -0.2429   28.8127   119.30827
 53  1    6.76000   0.07000   900.000   30.0000   40.3261   0.00783   7.01932   -0.2593   3.70462   40.5998   -0.2737   34.9618   119.44391
 54  1    7.03000   0.07000   1000.00   30.0000   40.2990   0.00783   7.24026   -0.2103   3.00376   40.5199   -0.2209   28.2171   119.43330
 55  1    7.38000   0.07000   1100.00   30.0000   40.1942   0.00783   7.53671   -0.1567   2.23872   40.3564   -0.1622   20.7176   119.50039
 56  1    7.71000   0.07000   1200.00   30.0000   40.0653   0.00723   7.85798   -0.1480   2.11397   40.2162   -0.1508   20.8736   119.71491
 57  1    8.04000   0.07000   1300.00   30.0000   39.9310   0.00662   8.18632   -0.1463   2.09029   40.0779   -0.1469   22.1717   119.93757
 58  1    8.35000   0.07000   1400.00   30.0000   39.8870   0.00602   8.42476   -0.0748   1.06794   39.9615   -0.0744   12.3560   120.07636
 59  1    8.73000   0.07000   1500.00   30.0000   39.8720   0.00602   8.63405   0.09595   1.37073   39.7775   0.09447   15.6879   120.08443
 60  1    8.71000   0.07000   1600.00   30.0000   39.9226   0.00662   8.77737   -0.0674   0.96237   39.9902   -0.0676   10.2094   119.92211
 61  1    8.71000   0.07000   1700.00   30.0000   40.0611   0.00662   8.83454   -0.1245   1.77912   40.1891   -0.1281   19.3305   119.79121
 62  1    8.62000   0.07000   1800.00   30.0000   40.1803   0.00843   8.91329   -0.2933   4.18989   40.4910   -0.3106   36.8443   119.32345
 63  1    7.32000   0.07000   600.000   30.0000   39.3908   0.00482   7.39966   -0.0797   1.13793   39.4640   -0.0732   15.1853   121.12174
 64  1    7.52000   0.07000   700.000   30.0000   39.3685   0.00542   7.61641   -0.0964   1.37734   39.4571   -0.0886   16.3401   120.91635
 65  1    7.78000   0.07000   800.000   30.0000   39.3324   0.00542   7.84856   -0.0686   0.97944   39.3951   -0.0627   11.5681   120.87064
 66  1    8.03000   0.07000   900.000   30.0000   39.2921   0.00602   8.08551   -0.0555   0.79298   39.3426   -0.0506   8.39505   120.73338
 67  1    8.26000   0.07000   1000.00   30.0000   39.2029   0.00602   8.37669   -0.1167   1.66701   39.3086   -0.1056   17.5433   120.77867
 68  1    8.59000   0.07000   1100.00   30.0000   39.1108   0.00602   8.67210   -0.0821   1.17284   39.1842   -0.0734   12.1932   120.83353
 69  1    8.95000   0.07000   1200.00   30.0000   38.9705   0.00602   9.02326   -0.0733   1.04658   39.0349   -0.0644   10.6964   120.94102
 70  1    9.32000   0.07000   1300.00   30.0000   38.8494   0.00662   9.35447   -0.0345   0.49235   38.8793   -0.0298   4.50149   120.88216
 71  1    9.66000   0.07000   1400.00   30.0000   38.7537   0.00662   9.65776   0.00224   0.03202   38.7518   0.00191   0.28851   120.95438
 72  1    10.0200   0.07000   1500.00   30.0000   38.6736   0.00964   9.94357   0.07643   1.09189   38.6091   0.06443   6.68720   120.02177
 73  1    10.3000   0.07000   1600.00   30.0000   38.5953   0.00723   10.2279   0.07210   1.02998   38.5350   0.06029   8.34247   120.90059
 74  1    10.4700   0.07000   1700.00   30.0000   38.5574   0.00723   10.4645   0.00546   0.07793   38.5528   0.00456   0.63133   120.92397
 75  1    10.6100   0.07000   1800.00   30.0000   38.5826   0.00903   10.6258   -0.0158   0.22533   38.5959   -0.0133   1.47002   120.29816
 76  1    4.53000   0.07000   300.000   30.0000   41.9755   0.01746   4.39980   0.13020   1.85999   41.8134   0.16216   9.28522   117.14187
 77  1    12.5300   0.07000   500.000   30.0000   35.5180   0.01265   12.7416   -0.2116   3.02354   35.6344   -0.1164   9.20668   118.27514
 78  1    12.9200   0.07000   700.000   30.0000   35.5144   0.01204   13.1154   -0.1954   2.79086   35.6220   -0.1076   8.93538   118.63609
 79  1    13.1700   0.07000   900.000   30.0000   35.5517   0.00783   13.4157   -0.2457   3.50932   35.6883   -0.1366   17.4534   122.53283
 80  1    13.6100   0.07000   1100.00   30.0000   35.5668   0.00723   13.7573   -0.1473   2.10468   35.6488   -0.0820   11.3498   122.90324
 81  1    13.4700   0.07000   1300.00   30.0000   35.9148   0.00843   13.5142   -0.0442   0.63128   35.9406   -0.0258   3.05683   121.86998
 82  1    13.1400   0.07000   1400.00   30.0000   36.1876   0.00783   13.2404   -0.1004   1.43390   36.2487   -0.0610   7.79284   122.18710
 83  1    12.9700   0.07000   1500.00   30.0000   36.4430   0.00964   13.0125   -0.0425   0.60654   36.4697   -0.0267   2.77014   120.87706
 84  1    12.6200   0.07000   1600.00   30.0000   36.8585   0.00723   12.5564   0.06362   0.90892   36.8163   0.04219   5.83878   122.14570
 85  1    12.2400   0.07000   1700.00   30.0000   37.1735   0.01024   12.2811   -0.0411   0.58735   37.2021   -0.0286   2.79759   120.35006
 86  1    9.89000   0.07000   500.000   30.0000   37.1705   0.00482   10.0294   -0.1394   1.99156   37.2662   -0.0957   19.8688   123.52432
 87  1    10.2500   0.07000   700.000   30.0000   37.1771   0.00542   10.3944   -0.1444   2.06244   37.2766   -0.0996   18.3678   122.94899
 88  1    10.6100   0.07000   900.000   30.0000   37.2036   0.00662   10.7316   -0.1216   1.73689   37.2879   -0.0843   12.7271   122.31344
 89  1    10.9600   0.07000   1100.00   30.0000   37.2102   0.00662   11.0983   -0.1383   1.97570   37.3066   -0.0964   14.5456   122.23937
 90  1    11.3500   0.07000   1300.00   30.0000   37.1530   0.00723   11.5576   -0.2076   2.96542   37.2974   -0.1444   19.9847   121.98455
 91  1    11.5900   0.07000   1400.00   30.0000   37.1102   0.00783   11.8079   -0.2179   3.11345   37.2613   -0.1511   19.2947   121.71603
 92  1    11.7800   0.07000   1500.00   30.0000   37.0994   0.00843   12.0119   -0.2319   3.31252   37.2602   -0.1608   19.0758   121.40671
 93  1    10.0300   0.07000   300.000   30.0000   36.9235   0.00482   10.0269   0.00312   0.04455   36.9215   0.00206   0.42678   125.07793
 94  1    12.9500   0.07000   500.000   30.0000   35.5481   0.00783   12.6866   0.26343   3.76323   35.4052   0.14294   18.2578   123.08595
 95  1    13.1200   0.07000   600.000   30.0000   35.4993   0.00843   12.9592   0.16082   2.29739   35.4122   0.08712   10.3333   122.35632
 96  1    13.3300   0.07000   700.000   30.0000   35.4794   0.00783   13.1794   0.15062   2.15169   35.3979   0.08151   10.4119   122.71050
 97  1    13.5600   0.07000   800.000   30.0000   35.4138   0.00843   13.4844   0.07565   1.08070   35.3731   0.04074   4.83228   122.13014
 98  1    13.7700   0.07000   900.000   30.0000   35.3735   0.00843   13.7432   0.02683   0.38334   35.3590   0.01442   1.70985   122.07191
 99  1    13.9800   0.07000   1000.00   30.0000   35.3542   0.00903   13.9630   0.01697   0.24248   35.3451   0.00911   1.00845   121.49249
100  1    14.2300   0.07000   1100.00   30.0000   35.3156   0.00964   14.2190   0.01102   0.15748   35.3097   0.00589   0.61167   120.88882
<-------------------------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    14.4700   0.07000   1200.00   30.0000   35.2518   0.01084   14.5228   -0.0528   0.75408   35.2799   -0.0281   2.58868   119.59345
102  1    14.7500   0.07000   1300.00   30.0000   35.2042   0.00964   14.7966   -0.0466   0.66550   35.2289   -0.0246   2.55556   120.83427
103  1    15.0100   0.07000   1400.00   30.0000   35.1639   0.00964   15.0571   -0.0471   0.67226   35.1886   -0.0248   2.56981   120.81557
104  1    15.2200   0.07000   1500.00   30.0000   35.1422   0.01024   15.2822   -0.0622   0.88797   35.1749   -0.0327   3.19145   120.17847
105  1    15.3600   0.07000   1600.00   30.0000   35.1988   0.00903   15.3586   0.00143   0.02042   35.1981   0.00076   0.08361   121.41239
106  1    15.3200   0.07000   1700.00   30.0000   35.3096   0.01024   15.3350   -0.0150   0.21424   35.3177   -0.0081   0.78957   120.24968
107  1    15.1700   0.07000   1800.00   30.0000   35.5457   0.01084   15.0882   0.08182   1.16888   35.5003   0.04541   4.18954   119.74889
108  1    20.3900   0.07000   800.000   30.0000   32.3780   0.00662   20.4990   -0.1090   1.55645   32.4164   -0.0383   5.78393   123.90801
109  1    20.1500   0.07000   500.000   30.0000   32.3244   0.00482   20.1239   0.02610   0.37283   32.3154   0.00905   1.87896   127.17476
110  1    20.2400   0.07000   600.000   30.0000   32.3275   0.00542   20.2910   -0.0510   0.72795   32.3452   -0.0177   3.27069   126.04426
111  1    20.3700   0.07000   700.000   30.0000   32.3660   0.00542   20.3567   0.01334   0.19057   32.3613   0.00466   0.85937   125.86386
112  1    20.4400   0.07000   800.000   30.0000   32.3913   0.00482   20.4612   -0.0212   0.30281   32.3987   -0.0075   1.54640   126.54198
113  1    20.5200   0.07000   900.000   30.0000   32.4383   0.00542   20.5050   0.01500   0.21422   32.4330   0.00531   0.97903   125.66044
114  1    20.4600   0.07000   1000.00   30.0000   32.5099   0.00482   20.4810   -0.0210   0.30060   32.5175   -0.0075   1.56461   126.36282
115  1    20.2500   0.07000   1100.00   30.0000   32.5900   0.00542   20.4364   -0.1864   2.66228   32.6580   -0.0679   12.5338   125.54816
116  1    20.0300   0.07000   1200.00   30.0000   32.7339   0.00662   20.2218   -0.1918   2.73950   32.8054   -0.0715   10.7882   123.85401
117  1    19.7400   0.07000   1300.00   30.0000   32.9321   0.00542   19.8736   -0.1336   1.90830   32.9833   -0.0512   9.44889   125.42296
118  1    19.3700   0.07000   1400.00   30.0000   33.1820   0.00542   19.4102   -0.0402   0.57458   33.1980   -0.0160   2.94482   125.32873
119  1    19.0100   0.07000   1500.00   30.0000   33.5096   0.00662   18.7831   0.22688   3.24110   33.4158   0.09375   14.1523   123.90186
120  1    18.5500   0.07000   1600.00   30.0000   33.8203   0.00602   18.2334   0.31657   4.52246   33.6838   0.13651   22.6685   124.48546
121  1    18.0600   0.07000   1700.00   30.0000   34.1491   0.00602   17.6774   0.38261   5.46581   33.9765   0.17266   28.6716   124.36094
122  1    17.4500   0.07000   1800.00   30.0000   34.4822   0.00903   17.1478   0.30218   4.31679   34.3387   0.14344   15.8792   121.24796
123  1    14.8100   0.07000   500.000   30.0000   34.5821   0.00723   14.5722   0.23780   3.39711   34.4690   0.11310   15.6509   123.86494
124  1    16.2300   0.07000   1300.00   30.0000   34.6068   0.00542   15.9772   0.25278   3.61107   34.4852   0.12164   22.4437   124.64666

  FITTING STATISTICS FOR 2 PARAMETERS FITTED TO 124 DATA:
      CHI^2 (WEIGHTED)=   2.2097
      MAXIMUM DELTA-PRESSURE= 0.383


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      Gamm0     q
    Gamm0:     100.0      95.8
    q    :      95.8     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     Gamm0     q
    Gamm0:   0.00372   0.00525
    q    :   0.00525   0.00808

*****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-case3-eosfit7c/rbi/weighted_all_lvp_printed_theta/fitted.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 10:33
 
   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:  13.6800           :Bulk modulus: units are GPa
      Kp:  4.96000           :dK/dP: dimensionless
     Kpp: -0.4218            :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:  2.21(6)           :Gruneisen parameter at Tref,Pref
       q:  1.43(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-case3-eosfit7c/rbi/weighted_all_lvp_printed_theta/fitted.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbi/weighted_all_lvp_printed_theta/fitted.eos


EOSFIT-7.6>
***** Macro completed

EOSFIT-7.6>