***********************************************************************************************************************
*                                                                                                                     *
*                                                     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 10:35                                                                     *
*                                                                                                                     *
***********************************************************************************************************************

EOSFIT-7.6>

Successfully opened file for macros
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/weighted_anchor_rounding_example/run.mcr

***** Running macro

EOSFIT-7.6>log /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/weighted_anchor_rounding_example/run.log


Successfully opened Log file
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/weighted_anchor_rounding_example/run.log


EOSFIT-7.6>read /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/weighted_anchor_rounding_example/input.dat


Successfully opened data file
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/weighted_anchor_rounding_example/input.dat



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

  THE 123 LOADED DATA ARE AS FOLLOWS:
<------------------------Observed Values-------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)
              GPA                                  CM^3/MOL
  1  1    1.19000   0.00000   300.000   0.00000   39.2674   0.00289
  2  1    2.01000   0.00000   300.000   0.00000   37.9079   0.00181
  3  1    3.35000   0.03000   300.000   0.00000   36.2140   0.00295
  4  1    5.11000   0.03000   300.000   0.00000   34.5458   0.00277
  5  1    7.26000   0.04000   300.000   0.00000   32.9524   0.00259
  6  1    7.55000   0.00000   300.000   0.00000   32.7455   0.00265
  7  1    9.36000   0.00000   300.000   0.00000   31.6484   0.00235
  8  1    11.0200   0.02000   300.000   0.00000   30.7945   0.00157
  9  1    13.0600   0.03000   300.000   0.00000   29.9052   0.00211
 10  1    14.8600   0.15000   300.000   0.00000   29.2401   0.00307
 11  1    16.7500   0.02000   300.000   0.00000   28.6555   0.00253
 12  1    17.6800   0.03000   300.000   0.00000   28.3079   0.00277
 13  1    19.4100   0.00000   300.000   0.00000   27.7659   0.00211
 14  1    21.3900   0.03000   300.000   0.00000   27.2654   0.00307
 15  1    23.0000   0.00000   300.000   0.00000   26.9616   0.00295
 16  1    25.0200   0.03000   300.000   0.00000   26.3939   0.00205
 17  1    26.4700   0.00000   300.000   0.00000   26.0785   0.00211
 18  1    2.43000   0.07000   500.000   30.0000   38.1539   0.00361
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542
<------------------------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   34.0408   0.00482
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542
 57  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482
 60  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482
 68  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542
 75  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482
 99  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482
<------------------------Observed Values-------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)
              GPA                                  CM^3/MOL
101  1    14.7500   0.07000   1300.00   30.0000   30.0722   0.00482
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361
115  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361

       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):41.549
          VALUE OF K0    (    10.000):17.55
          VALUE OF Kp    (     4.000):4.98
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.5490           :Reference pressure volume: units as volume data
      K0:  17.5500           :Bulk modulus: same units as pressure data
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :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    (    41.549):41.549
    Debye temperature in K:
                    VALUE OF ThMGD (   298.000):145.0
    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):2.11
    Gruneisen power law in V/V0:
                    VALUE OF q     (     0.000):1.5

*****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:  41.5490           :Reference pressure volume: units as volume data
      K0:  17.5500           :Bulk modulus: same units as pressure data
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :d2K/dP2: inverse pressure units [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  145.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.11000           :Gruneisen parameter at Tref,Pref
       q:  1.50000           :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:  41.5490           :Reference pressure volume: units as volume data
      K0:  17.5500           :Bulk modulus: units are GPa
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  145.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.11000           :Gruneisen parameter at Tref,Pref
       q:  1.50000           :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:  41.5490           :Reference pressure volume: units are cm^3/mol
      K0:  17.5500           :Bulk modulus: units are GPa
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  145.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.11000           :Gruneisen parameter at Tref,Pref
       q:  1.50000           :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/rbbr_kprime_4p98/weighted_anchor_rounding_example/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:  41.5490           :Reference pressure volume: units are cm^3/mol
      K0:  17.5500           :Bulk modulus: units are GPa
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  145.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.11000           :Gruneisen parameter at Tref,Pref
       q:  1.50000           :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/rbbr_kprime_4p98/weighted_anchor_rounding_example/initial.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/weighted_anchor_rounding_example/initial.eos


EOSFIT-7.6>list

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

  THE 123 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    1.19000   0.00000   300.000   0.00000   39.2674   0.00289   1.14108   0.04892       INF   39.1846   0.08282   28.6528
  2  1    2.01000   0.00000   300.000   0.00000   37.9079   0.00181   2.02358   -0.0136       INF   37.9269   -0.0190   10.5173
  3  1    3.35000   0.03000   300.000   0.00000   36.2140   0.00295   3.39993   -0.0499   1.66445   36.2686   -0.0546   18.4992
  4  1    5.11000   0.03000   300.000   0.00000   34.5458   0.00277   5.14032   -0.0303   1.01062   34.5716   -0.0257   9.29512
  5  1    7.26000   0.04000   300.000   0.00000   32.9524   0.00259   7.26942   -0.0094   0.23552   32.9587   -0.0062   2.41299
  6  1    7.55000   0.00000   300.000   0.00000   32.7455   0.00265   7.58634   -0.0363       INF   32.7689   -0.0234   8.82792
  7  1    9.36000   0.00000   300.000   0.00000   31.6484   0.00235   9.44998   -0.0900       INF   31.6972   -0.0488   20.7876
  8  1    11.0200   0.02000   300.000   0.00000   30.7945   0.00157   11.1430   -0.1230   6.15163   30.8527   -0.0583   37.2052
  9  1    13.0600   0.03000   300.000   0.00000   29.9052   0.00211   13.1734   -0.1134   3.78068   29.9516   -0.0464   22.0158
 10  1    14.8600   0.15000   300.000   0.00000   29.2401   0.00307   14.8988   -0.0388   0.25859   29.2543   -0.0142   4.61421
 11  1    16.7500   0.02000   300.000   0.00000   28.6555   0.00253   16.5822   0.16780   8.39005   28.6002   0.05523   21.8365
 12  1    17.6800   0.03000   300.000   0.00000   28.3079   0.00277   17.6650   0.01500   0.49985   28.3032   0.00467   1.68620
 13  1    19.4100   0.00000   300.000   0.00000   27.7659   0.00211   19.4875   -0.0775       INF   27.7879   -0.0220   10.4546
 14  1    21.3900   0.03000   300.000   0.00000   27.2654   0.00307   21.3295   0.06054   2.01810   27.2496   0.01573   5.12097
 15  1    23.0000   0.00000   300.000   0.00000   26.9616   0.00295   22.5288   0.47120       INF   26.8466   0.11501   38.9756
 16  1    25.0200   0.03000   300.000   0.00000   26.3939   0.00205   24.9514   0.06864   2.28793   26.3786   0.01527   7.45882
 17  1    26.4700   0.00000   300.000   0.00000   26.0785   0.00211   26.4080   0.06202       INF   26.0654   0.01304   6.18514
 18  1    2.43000   0.07000   500.000   30.0000   38.1539   0.00361   2.33146   0.09854   1.40775   38.0112   0.14265   39.4805
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.55055   0.10945   1.56363   38.0272   0.15979   37.9045
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.74495   0.08505   1.21506   38.1316   0.12641   29.9864
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.90155   0.06845   0.97790   38.2843   0.10440   21.6694
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.87754   0.08246   1.17803   38.6801   0.13440   24.7966
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.87998   0.07002   1.00024   39.1054   0.12217   22.5415
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.82569   0.09431   1.34722   39.6025   0.17912   24.7857
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.78761   0.10239   1.46270   40.1467   0.21305   27.2138
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.11231   -0.0823   1.17581   35.0471   -0.0753   11.3698
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.36565   -0.0857   1.22362   35.0297   -0.0784   14.4644
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.50837   -0.1084   1.54811   35.1335   -0.1009   20.9465
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.59675   -0.1168   1.66788   35.2783   -0.1114   26.4282
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.62419   -0.0842   1.20275   35.4473   -0.0829   19.6640
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.58755   -0.0276   0.39357   35.6631   -0.0283   5.86412
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.51272   0.02728   0.38964   35.9307   0.02936   6.09375
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.44507   0.04494   0.64193   36.2456   0.05103   9.41581
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.36648   0.07352   1.05025   36.5792   0.08846   14.6883
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.27143   0.16857   2.40814   36.8705   0.21504   29.7572
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.47353   -0.1335   1.90754   32.5478   -0.0830   11.4881
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.40788   -0.1079   1.54108   32.7145   -0.0691   9.55975
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.37597   -0.0760   1.08527   32.8604   -0.0500   8.29687
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.30750   -0.0175   0.24994   33.0174   -0.0119   2.18750
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.25027  -0.00027   0.00392   33.2003  -0.00020   0.04117
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.19640   -0.0264   0.37715   33.4185   -0.0191   3.53111
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.97196   0.12804   1.82917   33.6382   0.09719   16.1396
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.79315   0.18685   2.66923   33.9063   0.14891   19.0204
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.63994   0.13006   1.85793   34.2624   0.10955   25.9866
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.36749   0.16251   2.32156   34.6685   0.14670   24.3598
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.10709   0.18291   2.61293   35.1048   0.17771   14.0522
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.86176   0.08824   1.26051   35.6804   0.09348   10.3480
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.59228   0.11772   1.68174   36.2020   0.13621   16.1556
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.17373   -0.2437   3.48188   34.2670   -0.1962   40.7195
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.41816   -0.2382   3.40235   34.2494   -0.1918   35.3843
<-------------------------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   34.0408   0.00482   6.66755   -0.3476   4.96503   34.3226   -0.2819   58.5034
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.91491   -0.3849   5.49877   34.3387   -0.3130   86.6342
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.13666   -0.3767   5.38090   34.3384   -0.3073   63.7864
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.40922   -0.3792   5.41739   34.3048   -0.3086   73.2064
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.70012   -0.3201   4.57321   34.2050   -0.2582   47.6442
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.97673   -0.2667   3.81043   34.1226   -0.2137   39.4348
 57  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.26340   -0.2234   3.19140   34.0408   -0.1777   36.8871
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.18690   0.16310   2.33004   33.9756   0.13195   24.3454
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33288   0.39712   5.67308   33.8554   0.32080   66.5886
 60  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.44734   0.26266   3.75225   34.0548   0.21781   36.1678
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.63324   0.07676   1.09660   34.2449   0.06499   9.81092
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.75750   -0.1375   1.96426   34.5211   -0.1202   24.9475
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.25237   -0.2124   3.03392   33.4180   -0.1505   31.2344
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.48331   -0.1633   2.33295   33.3789   -0.1156   23.9973
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.72843   -0.2084   2.97762   33.3974   -0.1480   27.3022
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.97039   -0.1904   2.71988   33.3731   -0.1351   28.0474
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.19794   -0.1679   2.39912   33.3561   -0.1193   24.7653
 68  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.47957   -0.2196   3.13678   33.3535   -0.1559   32.3548
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.80373   -0.2137   3.05335   33.2794   -0.1504   31.2186
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.13905   -0.1891   2.70075   33.1847   -0.1316   27.3094
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.46199   -0.1420   2.02842   33.0840   -0.0977   20.2877
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.76515   -0.1051   1.50206   33.0051   -0.0718   14.9034
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0570   -0.0370   0.52910   32.9132   -0.0251   4.62626
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3161   -0.0161   0.22930   32.8761   -0.0108   1.99958
 75  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5554   -0.0854   1.22006   32.9135   -0.0579   9.62203
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8340   -0.2240   3.20068   32.9721   -0.1526   13.3384
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.7265   -0.1965   2.80649   30.3568   -0.0859   8.91634
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1745   -0.2545   3.63625   30.3742   -0.1117   12.3710
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5704   -0.4004   5.72008   30.4553   -0.1778   29.5163
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8555   -0.2455   3.50780   30.4519   -0.1099   20.2787
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4918   -0.0218   0.31090   30.7172   -0.0103   1.90034
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1543   -0.0143   0.20372   30.9825   -0.0071   1.30279
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8473   0.12271   1.75296   31.1785   0.06321   9.54228
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3893   0.23070   3.29573   31.4779   0.12568   26.0865
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1418   0.09815   1.40216   31.8111   0.05624   9.33952
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.94820   -0.0582   0.83136   31.6453   -0.0315   7.46877
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.3114   -0.0614   0.87726   31.6884   -0.0336   7.96693
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.6456   -0.0356   0.50812   31.7329   -0.0197   5.44763
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   11.0027   -0.0427   0.60959   31.7841   -0.0239   5.67069
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4352   -0.0852   1.21660   31.8136   -0.0480   11.3921
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6585   -0.0685   0.97825   31.8030   -0.0387   8.02417
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8573   -0.0773   1.10406   31.8209   -0.0438   10.3971
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.9093   0.04068   0.58118   30.1746   0.01741   3.21262
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.1413   -0.0213   0.30460   30.1933   -0.0091   1.68708
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.3992   -0.0692   0.98857   30.1952   -0.0297   4.93264
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.6321   -0.0721   1.03062   30.1887   -0.0310   5.71544
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8358   -0.0658   0.94023   30.1908   -0.0283   5.22522
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0930   -0.1130   1.61461   30.1931   -0.0486   10.0963
 99  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3278   -0.0978   1.39771   30.1781   -0.0421   8.73798
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.6078   -0.1378   1.96798   30.1675   -0.0592   12.2809
<-------------------------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    14.7500   0.07000   1300.00   30.0000   30.0722   0.00482   14.9076   -0.1576   2.25199   30.1396   -0.0675   14.0015
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1426   -0.1326   1.89412   30.1204   -0.0567   11.7662
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.2985   -0.0785   1.12203   30.1227   -0.0337   6.99720
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3532   0.00678   0.09683   30.1553   0.00294   0.54265
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2698   0.05017   0.71671   30.2673   0.02223   4.10191
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0647   0.10529   1.50418   30.4317   0.04814   7.99408
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.6366   -0.2466   3.52285   27.7993   -0.0704   11.6877
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.2723   -0.1223   1.74732   27.6927   -0.0343   5.68929
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.3926   -0.1526   2.17950   27.7250   -0.0430   7.13956
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.4970   -0.1270   1.81479   27.7463   -0.0360   5.97624
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.5667   -0.1267   1.80945   27.7850   -0.0362   6.00665
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5164   0.00357   0.05095   27.8213   0.00103   0.24388
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.4908   -0.0308   0.44035   27.8988   -0.0090   2.49736
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.3490   -0.0990   1.41392   28.0223   -0.0296   8.18359
115  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.0976   -0.0676   0.96523   28.1519   -0.0207   5.72423
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.7413   -0.0013   0.01891   28.3069  -0.00042   0.13809
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.2467   0.12330   1.76141   28.4926   0.04034   13.3986
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.6893   0.32069   4.58126   28.6815   0.10917   36.2546
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1503   0.39970   5.71006   28.9123   0.14213   39.3359
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.5729   0.48707   6.95809   29.1642   0.18165   33.5145
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0358   0.41418   5.91679   29.4746   0.16279   33.7896
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.7269   0.08306   1.18658   29.4277   0.03145   10.4436
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0775   0.15249   2.17838   29.5344   0.05959   16.4918

EOSFIT-7.6>fit
     123 data for V will be used in least-squares
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 10:35
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.5490           :Reference pressure volume: units are cm^3/mol
      K0:  17.5500           :Bulk modulus: units are GPa
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  145.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.11000           :Gruneisen parameter at Tref,Pref
       q:  1.50000           :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        41.54900  [NOT REFINED]
 K0      0        17.55000  [NOT REFINED]
 Kp      0         4.98000  [NOT REFINED]
 Kpp     0        -0.33215  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       145.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.11425          0.00425          0.17622           0.02
 q       1         1.50362          0.00362          0.32112           0.01
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  29.94 (AND ESD'S RESCALED BY W-CHI^2)


   RESULTS FROM CYCLE  2
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        41.54900  [NOT REFINED]
 K0      0        17.55000  [NOT REFINED]
 Kp      0         4.98000  [NOT REFINED]
 Kpp     0        -0.33215  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       145.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.11426          0.00000          0.17645           0.00
 q       1         1.50362          0.00000          0.32091           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  29.94 (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        41.54900  [NOT REFINED]
 K0      0        17.55000  [NOT REFINED]
 Kp      0         4.98000  [NOT REFINED]
 Kpp     0        -0.33215  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       145.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.11426          0.00000          0.17645           0.00
 q       1         1.50362          0.00000          0.32091           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  29.94 (AND ESD'S RESCALED BY W-CHI^2)

 INPUT <CR> TO CONTINUE

  THE 123 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    1.19000   0.00000   300.000   0.00000   39.2674   0.00289   1.14108   0.04892       INF   39.1846   0.08282   28.6528   346537.38
  2  1    2.01000   0.00000   300.000   0.00000   37.9079   0.00181   2.02358   -0.0136       INF   37.9269   -0.0190   10.5173   600404.25
  3  1    3.35000   0.03000   300.000   0.00000   36.2140   0.00295   3.39993   -0.0499   1.66445   36.2686   -0.0546   18.4992   1102.1234
  4  1    5.11000   0.03000   300.000   0.00000   34.5458   0.00277   5.14032   -0.0303   1.01062   34.5716   -0.0257   9.29512   1098.1016
  5  1    7.26000   0.04000   300.000   0.00000   32.9524   0.00259   7.26942   -0.0094   0.23552   32.9587   -0.0062   2.41299   619.10297
  6  1    7.55000   0.00000   300.000   0.00000   32.7455   0.00265   7.58634   -0.0363       INF   32.7689   -0.0234   8.82792   58888.613
  7  1    9.36000   0.00000   300.000   0.00000   31.6484   0.00235   9.44998   -0.0900       INF   31.6972   -0.0488   20.7876   53110.090
  8  1    11.0200   0.02000   300.000   0.00000   30.7945   0.00157   11.1430   -0.1230   6.15163   30.8527   -0.0583   37.2052   2433.3047
  9  1    13.0600   0.03000   300.000   0.00000   29.9052   0.00211   13.1734   -0.1134   3.78068   29.9516   -0.0464   22.0158   1079.0659
 10  1    14.8600   0.15000   300.000   0.00000   29.2401   0.00307   14.8988   -0.0388   0.25859   29.2543   -0.0142   4.61421   44.304966
 11  1    16.7500   0.02000   300.000   0.00000   28.6555   0.00253   16.5822   0.16780   8.39005   28.6002   0.05523   21.8365   2180.4741
 12  1    17.6800   0.03000   300.000   0.00000   28.3079   0.00277   17.6650   0.01500   0.49985   28.3032   0.00467   1.68620   1021.4497
 13  1    19.4100   0.00000   300.000   0.00000   27.7659   0.00211   19.4875   -0.0775       INF   27.7879   -0.0220   10.4546   18193.270
 14  1    21.3900   0.03000   300.000   0.00000   27.2654   0.00307   21.3295   0.06054   2.01810   27.2496   0.01573   5.12097   962.26672
 15  1    23.0000   0.00000   300.000   0.00000   26.9616   0.00295   22.5288   0.47120       INF   26.8466   0.11501   38.9756   6989.8242
 16  1    25.0200   0.03000   300.000   0.00000   26.3939   0.00205   24.9514   0.06864   2.28793   26.3786   0.01527   7.45882   1015.9416
 17  1    26.4700   0.00000   300.000   0.00000   26.0785   0.00211   26.4080   0.06202       INF   26.0654   0.01304   6.18514   9995.7285
 18  1    2.43000   0.07000   500.000   30.0000   38.1539   0.00361   2.33228   0.09772   1.39606   38.0124   0.14149   39.1596   98.336678
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.55178   0.10822   1.54602   38.0290   0.15803   37.4873   98.102066
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.74660   0.08340   1.19143   38.1341   0.12398   29.4109   97.904129
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.90364   0.06636   0.94805   38.2875   0.10126   21.0177   97.641388
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.88012   0.07988   1.14113   38.6842   0.13026   24.0343   97.014282
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.88308   0.06692   0.95597   39.1108   0.11685   21.5590   96.449638
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.82937   0.09064   1.29479   39.6094   0.17231   23.8434   95.661980
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.79189   0.09811   1.40156   40.1554   0.20440   26.1082   94.908752
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.11294   -0.0829   1.18484   35.0477   -0.0759   11.4573   102.51077
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.36660   -0.0866   1.23719   35.0306   -0.0793   14.6263   102.49724
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.50965   -0.1096   1.56639   35.1347   -0.1021   21.1967   102.32425
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.59837   -0.1184   1.69106   35.2799   -0.1130   26.8020   102.10998
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.62618   -0.0862   1.23110   35.4493   -0.0849   20.1354   101.77074
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.58992   -0.0299   0.42747   35.6655   -0.0307   6.37167   101.29501
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.51551   0.02449   0.34979   35.9336   0.02637   5.47455   100.81632
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.44829   0.04171   0.59581   36.2493   0.04739   8.74436   100.28519
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.37018   0.06982   0.99745   36.5835   0.08407   13.9599   99.723885
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.27563   0.16437   2.34813   36.8757   0.20985   29.0392   99.065491
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.47401   -0.1340   1.91446   32.5481   -0.0833   11.5303   105.53997
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.40862   -0.1086   1.55175   32.7150   -0.0696   9.62626   105.06704
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.37699   -0.0770   1.09983   32.8611   -0.0506   8.40962   105.12350
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.30880   -0.0188   0.26861   33.0183   -0.0127   2.35079   104.93169
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.25188   -0.0019   0.02687   33.2014   -0.0013   0.27317   104.73889
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.19832   -0.0283   0.40455   33.4199   -0.0205   3.78800   104.27998
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.97423   0.12577   1.79670   33.6399   0.09550   15.8583   103.66599
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.79580   0.18420   2.63147   33.9083   0.14685   18.7583   102.81307
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.64298   0.12702   1.81461   34.2649   0.10704   25.3921   103.05366
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.37097   0.15903   2.27185   34.6716   0.14363   23.8505   102.17988
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.11105   0.17895   2.55636   35.1085   0.17397   13.7566   100.25402
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.86624   0.08376   1.19657   35.6851   0.08880   9.83023   100.48349
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.59733   0.11267   1.60960   36.2077   0.13049   15.4773   99.873543
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.17431   -0.2443   3.49015   34.2675   -0.1967   40.8208   104.07507
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.41904   -0.2390   3.41479   34.2501   -0.1925   35.5173   103.74438
<-------------------------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   34.0408   0.00482   6.66872   -0.3487   4.98165   34.3236   -0.2828   58.7093   103.72463
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.91637   -0.3864   5.51957   34.3400   -0.3143   86.9794   103.82238
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.13841   -0.3784   5.40591   34.3399   -0.3088   64.0991   103.57539
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.41126   -0.3813   5.44654   34.3065   -0.3103   73.6208   103.66965
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.70245   -0.3224   4.60638   34.2070   -0.2602   48.0067   103.50510
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.97934   -0.2693   3.84767   34.1248   -0.2159   39.8339   103.53141
 57  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.26628   -0.2263   3.23260   34.0432   -0.1801   37.3788   103.68273
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.19015   0.15985   2.28357   33.9782   0.12938   23.8703   103.22651
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33646   0.39354   5.62202   33.8582   0.31808   66.0224   103.21918
 60  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.45125   0.25875   3.69636   34.0579   0.21468   35.6484   102.88299
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.63747   0.07253   1.03617   34.2485   0.06145   9.27652   102.71368
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.76207   -0.1421   2.02958   34.5252   -0.1243   25.7947   102.88407
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.25291   -0.2129   3.04151   33.4184   -0.1509   31.3144   105.23988
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.48411   -0.1641   2.34440   33.3795   -0.1162   24.1176   104.98307
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.72950   -0.2095   2.99292   33.3982   -0.1488   27.4458   104.70531
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.97173   -0.1917   2.73903   33.3741   -0.1361   28.2493   104.75417
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.19955   -0.1696   2.42216   33.3573   -0.1205   25.0076   104.68487
 68  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.48145   -0.2215   3.16360   33.3549   -0.1572   32.6383   104.69153
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.80587   -0.2159   3.08381   33.2809   -0.1519   31.5369   104.74815
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.14143   -0.1914   2.73478   33.1864   -0.1333   27.6626   104.82553
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.46462   -0.1446   2.06600   33.0859   -0.0996   20.6709   104.89639
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.76802   -0.1080   1.54319   33.0071   -0.0738   15.3159   104.95486
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0602   -0.0402   0.57377   32.9153   -0.0272   5.01830   104.85257
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3194   -0.0194   0.27761   32.8783   -0.0131   2.42047   104.87432
 75  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5590   -0.0890   1.27207   32.9160   -0.0604   10.0363   104.71521
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8379   -0.2279   3.25618   32.9748   -0.1553   13.5767   102.51769
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.7268   -0.1968   2.81155   30.3570   -0.0861   8.93257   105.14241
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1753   -0.2553   3.64654   30.3745   -0.1121   12.4071   105.32248
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5715   -0.4015   5.73571   30.4558   -0.1783   29.6003   107.81802
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8570   -0.2470   3.52896   30.4525   -0.1106   20.4043   108.06330
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4937   -0.0237   0.33899   30.7181   -0.0112   2.07172   107.60107
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1565   -0.0165   0.23587   30.9837   -0.0082   1.50971   107.27956
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8498   0.12016   1.71652   31.1797   0.06191   9.34649   106.33591
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3922   0.22780   3.25425   31.4795   0.12413   25.7662   106.73063
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1451   0.09491   1.35591   31.8129   0.05441   9.03546   105.92602
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.94863   -0.0586   0.83756   31.6456   -0.0317   7.52533   107.81072
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.3123   -0.0623   0.88989   31.6888   -0.0341   8.08141   107.26548
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.6469   -0.0369   0.52734   31.7336   -0.0204   5.65561   107.15636
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   11.0045   -0.0445   0.63549   31.7851   -0.0249   5.91140   106.81388
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4374   -0.0874   1.24910   31.8149   -0.0493   11.7002   106.75078
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6610   -0.0710   1.01403   31.8045   -0.0401   8.31951   106.53719
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8600   -0.0800   1.14318   31.8224   -0.0454   10.7690   106.70358
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.9097   0.04033   0.57617   30.1747   0.01727   3.18623   109.07648
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.1419   -0.0219   0.31216   30.1936   -0.0094   1.73001   108.74883
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.3999   -0.0699   0.99869   30.1955   -0.0300   4.98300   108.13450
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.6330   -0.0730   1.04333   30.1890   -0.0314   5.78617   108.45325
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8369   -0.0669   0.95555   30.1913   -0.0288   5.31144   108.36243
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0943   -0.1143   1.63250   30.1936   -0.0492   10.2096   108.70686
 99  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3293   -0.0993   1.41818   30.1787   -0.0427   8.86665   108.67503
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.6094   -0.1394   1.99096   30.1682   -0.0599   12.4274   108.67038
<-------------------------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    14.7500   0.07000   1300.00   30.0000   30.0722   0.00482   14.9094   -0.1594   2.27743   30.1404   -0.0682   14.1627   108.69152
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1445   -0.1345   1.92210   30.1213   -0.0575   11.9432   108.67719
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.3007   -0.0807   1.15273   30.1237   -0.0346   7.19040   108.63496
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3556   0.00442   0.06315   30.1564   0.00192   0.35403   108.16075
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2724   0.04757   0.67964   30.2685   0.02109   3.89076   108.01366
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0676   0.10243   1.46324   30.4330   0.04685   7.77903   107.42255
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.6371   -0.2471   3.53048   27.7995   -0.0705   11.7130   109.10963
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.2725   -0.1225   1.75018   27.6928   -0.0343   5.69879   109.82810
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.3929   -0.1529   2.18391   27.7251   -0.0431   7.15413   109.47449
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.4975   -0.1275   1.82081   27.7464   -0.0361   5.99714   109.24851
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.5672   -0.1272   1.81713   27.7851   -0.0363   6.03230   109.12124
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5171   0.00290   0.04147   27.8215   0.00084   0.19863   111.72300
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.4916   -0.0316   0.45166   27.8990   -0.0093   2.56123   112.28355
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.3499   -0.0999   1.42724   28.0226   -0.0299   8.26171   112.11461
115  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.0987   -0.0687   0.98079   28.1522   -0.0210   5.81820   111.91741
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.7426   -0.0026   0.03698   28.3073  -0.00081   0.27048   112.17732
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.2482   0.12183   1.74046   28.4930   0.03987   13.2403   111.83497
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.6910   0.31899   4.55706   28.6820   0.10861   36.0690   111.45291
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1522   0.39776   5.68235   28.9130   0.14147   39.1517   110.68441
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.5751   0.48486   6.92654   29.1650   0.18086   33.3699   108.92097
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0383   0.41168   5.88109   29.4755   0.16185   33.5940   109.11751
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.7272   0.08275   1.18219   29.4278   0.03133   10.4056   111.55045
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0792   0.15084   2.15492   29.5350   0.05897   16.3191   110.01678

  FITTING STATISTICS FOR 2 PARAMETERS FITTED TO 123 DATA:
      CHI^2 (WEIGHTED)=  29.9378
      MAXIMUM DELTA-PRESSURE= 0.485


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      Gamm0     q
    Gamm0:     100.0      94.8
    q    :      94.8     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     Gamm0     q
    Gamm0:   0.03113   0.05368
    q    :   0.05368   0.10298

*****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
     123 data for V will be used in least-squares
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 10:35
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.5490           :Reference pressure volume: units are cm^3/mol
      K0:  17.5500           :Bulk modulus: units are GPa
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  145.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.11(18)          :Gruneisen parameter at Tref,Pref
       q:  1.5(3)            :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        41.54900  [NOT REFINED]
 K0      0        17.55000  [NOT REFINED]
 Kp      0         4.98000  [NOT REFINED]
 Kpp     0        -0.33215  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       145.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.11426          0.00000          0.17645           0.00
 q       1         1.50362          0.00001          0.32091           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  29.94 (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        41.54900  [NOT REFINED]
 K0      0        17.55000  [NOT REFINED]
 Kp      0         4.98000  [NOT REFINED]
 Kpp     0        -0.33215  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       145.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.11426          0.00000          0.17645           0.00
 q       1         1.50362          0.00001          0.32091           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =  29.94 (AND ESD'S RESCALED BY W-CHI^2)

 INPUT <CR> TO CONTINUE

  THE 123 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    1.19000   0.00000   300.000   0.00000   39.2674   0.00289   1.14108   0.04892       INF   39.1846   0.08282   28.6528   346537.38
  2  1    2.01000   0.00000   300.000   0.00000   37.9079   0.00181   2.02358   -0.0136       INF   37.9269   -0.0190   10.5173   600404.25
  3  1    3.35000   0.03000   300.000   0.00000   36.2140   0.00295   3.39993   -0.0499   1.66445   36.2686   -0.0546   18.4992   1102.1234
  4  1    5.11000   0.03000   300.000   0.00000   34.5458   0.00277   5.14032   -0.0303   1.01062   34.5716   -0.0257   9.29512   1098.1016
  5  1    7.26000   0.04000   300.000   0.00000   32.9524   0.00259   7.26942   -0.0094   0.23552   32.9587   -0.0062   2.41299   619.10297
  6  1    7.55000   0.00000   300.000   0.00000   32.7455   0.00265   7.58634   -0.0363       INF   32.7689   -0.0234   8.82792   58888.613
  7  1    9.36000   0.00000   300.000   0.00000   31.6484   0.00235   9.44998   -0.0900       INF   31.6972   -0.0488   20.7876   53110.090
  8  1    11.0200   0.02000   300.000   0.00000   30.7945   0.00157   11.1430   -0.1230   6.15163   30.8527   -0.0583   37.2052   2433.3047
  9  1    13.0600   0.03000   300.000   0.00000   29.9052   0.00211   13.1734   -0.1134   3.78068   29.9516   -0.0464   22.0158   1079.0659
 10  1    14.8600   0.15000   300.000   0.00000   29.2401   0.00307   14.8988   -0.0388   0.25859   29.2543   -0.0142   4.61421   44.304966
 11  1    16.7500   0.02000   300.000   0.00000   28.6555   0.00253   16.5822   0.16780   8.39005   28.6002   0.05523   21.8365   2180.4741
 12  1    17.6800   0.03000   300.000   0.00000   28.3079   0.00277   17.6650   0.01500   0.49985   28.3032   0.00467   1.68620   1021.4497
 13  1    19.4100   0.00000   300.000   0.00000   27.7659   0.00211   19.4875   -0.0775       INF   27.7879   -0.0220   10.4546   18193.270
 14  1    21.3900   0.03000   300.000   0.00000   27.2654   0.00307   21.3295   0.06054   2.01810   27.2496   0.01573   5.12097   962.26672
 15  1    23.0000   0.00000   300.000   0.00000   26.9616   0.00295   22.5288   0.47120       INF   26.8466   0.11501   38.9756   6989.8242
 16  1    25.0200   0.03000   300.000   0.00000   26.3939   0.00205   24.9514   0.06864   2.28793   26.3786   0.01527   7.45882   1015.9416
 17  1    26.4700   0.00000   300.000   0.00000   26.0785   0.00211   26.4080   0.06202       INF   26.0654   0.01304   6.18514   9995.7285
 18  1    2.43000   0.07000   500.000   30.0000   38.1539   0.00361   2.33228   0.09772   1.39606   38.0124   0.14149   39.1585   98.336327
 19  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.55178   0.10822   1.54601   38.0290   0.15803   37.4873   98.101746
 20  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.74660   0.08340   1.19141   38.1341   0.12398   29.4109   97.904114
 21  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.90364   0.06636   0.94804   38.2875   0.10126   21.0185   97.641701
 22  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.88012   0.07988   1.14111   38.6842   0.13026   24.0343   97.014259
 23  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.88308   0.06692   0.95595   39.1108   0.11685   21.5590   96.449310
 24  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.82937   0.09063   1.29475   39.6093   0.17231   23.8439   95.661980
 25  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.79189   0.09811   1.40152   40.1554   0.20439   26.1077   94.907478
 26  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.11294   -0.0829   1.18484   35.0477   -0.0759   11.4573   102.51015
 27  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.36660   -0.0866   1.23719   35.0306   -0.0793   14.6263   102.49724
 28  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.50965   -0.1096   1.56639   35.1347   -0.1021   21.1967   102.32425
 29  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.59837   -0.1184   1.69106   35.2799   -0.1130   26.8011   102.11063
 30  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.62618   -0.0862   1.23110   35.4493   -0.0849   20.1345   101.77143
 31  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.58992   -0.0299   0.42748   35.6655   -0.0307   6.37167   101.29501
 32  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.51552   0.02448   0.34978   35.9336   0.02637   5.47455   100.81628
 33  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.44830   0.04171   0.59579   36.2493   0.04739   8.74436   100.28586
 34  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.37018   0.06982   0.99742   36.5835   0.08407   13.9605   99.722534
 35  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.27563   0.16437   2.34811   36.8757   0.20985   29.0387   99.065491
 36  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.47401   -0.1340   1.91446   32.5481   -0.0833   11.5303   105.53997
 37  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.40862   -0.1086   1.55176   32.7150   -0.0696   9.62626   105.06586
 38  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.37699   -0.0770   1.09983   32.8611   -0.0506   8.40962   105.12350
 39  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.30880   -0.0188   0.26861   33.0183   -0.0127   2.35079   104.93169
 40  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.25188   -0.0019   0.02687   33.2014   -0.0013   0.27317   104.73889
 41  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.19832   -0.0283   0.40455   33.4199   -0.0205   3.78800   104.27998
 42  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.97423   0.12577   1.79669   33.6399   0.09550   15.8577   103.66459
 43  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.79580   0.18420   2.63145   33.9083   0.14685   18.7583   102.81248
 44  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.64298   0.12702   1.81460   34.2649   0.10704   25.3930   103.05370
 45  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.37097   0.15903   2.27184   34.6716   0.14363   23.8498   102.17919
 46  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.11106   0.17894   2.55634   35.1086   0.17397   13.7563   100.25390
 47  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.86624   0.08376   1.19654   35.6851   0.08879   9.82981   100.48212
 48  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.59733   0.11267   1.60956   36.2077   0.13049   15.4769   99.872314
 49  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.17431   -0.2443   3.49015   34.2675   -0.1967   40.8208   104.07578
 50  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.41904   -0.2390   3.41480   34.2501   -0.1925   35.5173   103.74444
<-------------------------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   34.0408   0.00482   6.66872   -0.3487   4.98165   34.3236   -0.2828   58.7093   103.72463
 52  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.91637   -0.3864   5.51957   34.3400   -0.3143   86.9784   103.82233
 53  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.13841   -0.3784   5.40592   34.3399   -0.3088   64.0991   103.57475
 54  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.41126   -0.3813   5.44654   34.3065   -0.3103   73.6208   103.66895
 55  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.70245   -0.3224   4.60640   34.2070   -0.2602   48.0060   103.50510
 56  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.97934   -0.2693   3.84767   34.1248   -0.2159   39.8346   103.53266
 57  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.26628   -0.2263   3.23260   34.0432   -0.1801   37.3788   103.68132
 58  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.19015   0.15985   2.28356   33.9782   0.12938   23.8703   103.22664
 59  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33646   0.39354   5.62199   33.8582   0.31808   66.0224   103.21778
 60  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.45126   0.25874   3.69635   34.0579   0.21468   35.6490   102.88161
 61  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.63747   0.07253   1.03617   34.2485   0.06145   9.27594   102.71507
 62  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.76207   -0.1421   2.02960   34.5252   -0.1243   25.7947   102.88279
 63  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.25291   -0.2129   3.04151   33.4184   -0.1509   31.3144   105.23988
 64  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.48411   -0.1641   2.34440   33.3795   -0.1162   24.1176   104.98307
 65  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.72950   -0.2095   2.99292   33.3982   -0.1488   27.4458   104.70531
 66  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.97173   -0.1917   2.73904   33.3741   -0.1361   28.2493   104.75423
 67  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.19955   -0.1696   2.42216   33.3573   -0.1205   25.0076   104.68487
 68  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.48145   -0.2215   3.16361   33.3549   -0.1572   32.6391   104.69024
 69  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.80587   -0.2159   3.08383   33.2809   -0.1519   31.5377   104.74815
 70  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.14143   -0.1914   2.73478   33.1864   -0.1333   27.6626   104.82553
 71  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.46462   -0.1446   2.06600   33.0859   -0.0996   20.6709   104.89767
 72  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.76802   -0.1080   1.54319   33.0071   -0.0738   15.3159   104.95471
 73  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0602   -0.0402   0.57377   32.9153   -0.0272   5.01830   104.85382
 74  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3194   -0.0194   0.27761   32.8783   -0.0131   2.42047   104.87450
 75  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5590   -0.0890   1.27207   32.9160   -0.0604   10.0363   104.71503
 76  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8379   -0.2279   3.25620   32.9748   -0.1553   13.5767   102.51702
 77  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.7268   -0.1968   2.81155   30.3570   -0.0861   8.93257   105.14241
 78  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1753   -0.2553   3.64654   30.3745   -0.1121   12.4071   105.32155
 79  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5715   -0.4015   5.73570   30.4558   -0.1783   29.6003   107.81802
 80  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8570   -0.2470   3.52896   30.4525   -0.1106   20.4043   108.06186
 81  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4937   -0.0237   0.33898   30.7181   -0.0112   2.07172   107.60396
 82  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1565   -0.0165   0.23587   30.9837   -0.0082   1.50936   107.27812
 83  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8498   0.12016   1.71652   31.1797   0.06192   9.34677   106.33476
 84  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3922   0.22780   3.25425   31.4795   0.12413   25.7662   106.73063
 85  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1451   0.09491   1.35591   31.8129   0.05441   9.03546   105.92623
 86  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.94863   -0.0586   0.83756   31.6456   -0.0317   7.52533   107.80943
 87  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.3123   -0.0623   0.88989   31.6888   -0.0341   8.08141   107.26403
 88  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.6469   -0.0369   0.52734   31.7336   -0.0204   5.65561   107.15636
 89  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   11.0045   -0.0445   0.63549   31.7851   -0.0249   5.91140   106.81388
 90  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4374   -0.0874   1.24910   31.8149   -0.0493   11.7002   106.75062
 91  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6610   -0.0710   1.01403   31.8045   -0.0401   8.31991   106.53719
 92  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8600   -0.0800   1.14317   31.8224   -0.0454   10.7690   106.70230
 93  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.9097   0.04033   0.57618   30.1747   0.01727   3.18623   109.07648
 94  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.1419   -0.0219   0.31216   30.1936   -0.0094   1.73001   108.74767
 95  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.3999   -0.0699   0.99869   30.1955   -0.0300   4.98300   108.13450
 96  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.6330   -0.0730   1.04333   30.1890   -0.0314   5.78688   108.45181
 97  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8369   -0.0669   0.95554   30.1913   -0.0288   5.31144   108.36214
 98  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0943   -0.1143   1.63249   30.1936   -0.0492   10.2092   108.70686
 99  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3293   -0.0993   1.41817   30.1787   -0.0427   8.86626   108.67622
100  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.6094   -0.1394   1.99094   30.1682   -0.0599   12.4274   108.67038
<-------------------------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    14.7500   0.07000   1300.00   30.0000   30.0722   0.00482   14.9094   -0.1594   2.27742   30.1404   -0.0682   14.1619   108.69152
102  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1445   -0.1345   1.92209   30.1213   -0.0575   11.9432   108.67599
103  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.3007   -0.0807   1.15271   30.1237   -0.0346   7.19000   108.63590
104  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3556   0.00442   0.06316   30.1564   0.00192   0.35367   108.16103
105  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2724   0.04758   0.67966   30.2685   0.02109   3.89076   108.01340
106  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0676   0.10243   1.46325   30.4330   0.04685   7.77966   107.42255
107  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.6371   -0.2471   3.53048   27.7995   -0.0705   11.7134   109.10780
108  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.2725   -0.1225   1.75018   27.6928   -0.0343   5.69847   109.82810
109  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.3929   -0.1529   2.18391   27.7251   -0.0431   7.15381   109.47449
110  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.4975   -0.1275   1.82078   27.7464   -0.0361   5.99683   109.25036
111  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.5672   -0.1272   1.81710   27.7851   -0.0363   6.03230   109.12029
112  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5171   0.00290   0.04150   27.8215   0.00084   0.19863   111.72595
113  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.4916   -0.0316   0.45163   27.8990   -0.0093   2.56123   112.28355
114  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.3499   -0.0999   1.42721   28.0226   -0.0298   8.26066   112.11461
115  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.0987   -0.0687   0.98076   28.1523   -0.0210   5.81872   111.91798
116  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.7426   -0.0026   0.03695   28.3073  -0.00081   0.27048   112.17732
117  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.2482   0.12183   1.74048   28.4930   0.03987   13.2409   111.83241
118  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.6910   0.31899   4.55706   28.6820   0.10861   36.0696   111.45250
119  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1522   0.39777   5.68237   28.9130   0.14147   39.1522   110.68441
120  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.5751   0.48486   6.92656   29.1650   0.18086   33.3695   108.91808
121  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0383   0.41168   5.88112   29.4755   0.16185   33.5944   109.11987
122  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.7272   0.08275   1.18219   29.4278   0.03133   10.4056   111.55196
123  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0792   0.15085   2.15495   29.5350   0.05896   16.3186   110.01636

  FITTING STATISTICS FOR 2 PARAMETERS FITTED TO 123 DATA:
      CHI^2 (WEIGHTED)=  29.9377
      MAXIMUM DELTA-PRESSURE= 0.485


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      Gamm0     q
    Gamm0:     100.0      94.8
    q    :      94.8     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     Gamm0     q
    Gamm0:   0.03113   0.05367
    q    :   0.05367   0.10298

*****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/rbbr_kprime_4p98/weighted_anchor_rounding_example/fitted.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 16-OCT-2026 at 10:35
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  41.5490           :Reference pressure volume: units are cm^3/mol
      K0:  17.5500           :Bulk modulus: units are GPa
      Kp:  4.98000           :dK/dP: dimensionless
     Kpp: -0.3322            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   300.00 K
 
   ThMGD:  145.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.11(18)          :Gruneisen parameter at Tref,Pref
       q:  1.5(3)            :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/rbbr_kprime_4p98/weighted_anchor_rounding_example/fitted.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/weighted_anchor_rounding_example/fitted.eos


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