***********************************************************************************************************************
*                                                                                                                     *
*                                                     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/rbbr_kprime_4p98/weighted_lvp_only_printed_theta/run.mcr

***** Running macro

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


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


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


Successfully opened data file
Named /Users/clemens/Programming/peritheos/docs/data/rubidium-halides-farla-2025-case3-eosfit7c/rbbr_kprime_4p98/weighted_lvp_only_printed_theta/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 106 LOADED DATA ARE AS FOLLOWS:
<------------------------Observed Values-------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)
              GPA                                  CM^3/MOL
  1  1    2.43000   0.07000   500.000   30.0000   38.1539   0.00361
  2  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422
  3  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422
  4  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482
  5  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542
  6  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542
  7  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723
  8  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783
  9  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662
 10  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542
 11  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482
 12  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422
 13  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422
 14  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482
 15  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482
 16  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542
 17  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602
 18  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723
 19  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723
 20  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723
 21  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602
 22  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542
 23  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482
 24  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542
 25  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602
 26  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783
 27  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422
 28  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602
 29  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265
 30  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903
 31  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843
 32  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482
 33  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542
 34  1    6.32000   0.07000   700.000   30.0000   34.0408   0.00482
 35  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361
 36  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482
 37  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422
 38  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542
 39  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542
 40  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482
 41  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542
 42  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482
 43  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602
 44  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662
 45  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482
 46  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482
 47  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482
 48  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542
 49  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482
 50  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482
<------------------------Observed Values-------------------------->
  N USE         P      esdP      T(K)      esdT       V      esd(V)
              GPA                                  CM^3/MOL
 51  1    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482
 52  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482
 53  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482
 54  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482
 55  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482
 56  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542
 57  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542
 58  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602
 59  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144
 60  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964
 61  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903
 62  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602
 63  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542
 64  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542
 65  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542
 66  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662
 67  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482
 68  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602
 69  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422
 70  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422
 71  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361
 72  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422
 73  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422
 74  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482
 75  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422
 76  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542
 77  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542
 78  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602
 79  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542
 80  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542
 81  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482
 82  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482
 83  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482
 84  1    14.7500   0.07000   1300.00   30.0000   30.0722   0.00482
 85  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482
 86  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482
 87  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542
 88  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542
 89  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602
 90  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602
 91  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602
 92  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602
 93  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602
 94  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602
 95  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422
 96  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361
 97  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361
 98  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361
 99  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301
100  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301
101  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301
102  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361
103  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542
104  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482
105  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301
106  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361

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

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):41.55
          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:  41.5500           :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    (    41.550):41.55
    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:  41.5500           :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:  41.5500           :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:  41.5500           :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_lvp_only_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:  41.5500           :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_lvp_only_printed_theta/initial.eos


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


EOSFIT-7.6>list

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

  THE 106 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    2.43000   0.07000   500.000   30.0000   38.1539   0.00361   2.33208   0.09792   1.39892   38.0121   0.14176   39.2324
  2  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.55115   0.10885   1.55501   38.0281   0.15890   37.6936
  3  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.74553   0.08447   1.20666   38.1325   0.12552   29.7765
  4  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.90212   0.06788   0.96971   38.2852   0.10352   21.4873
  5  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.87807   0.08193   1.17041   38.6810   0.13353   24.6361
  6  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.88048   0.06952   0.99317   39.1063   0.12130   22.3803
  7  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.82615   0.09385   1.34077   39.6034   0.17826   24.6674
  8  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.78802   0.10198   1.45692   40.1476   0.21220   27.1046
  9  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.11322   -0.0832   1.18886   35.0479   -0.0761   11.4947
 10  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.36656   -0.0866   1.23657   35.0305   -0.0792   14.6171
 11  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.50926   -0.1093   1.56087   35.1343   -0.1017   21.1167
 12  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.59762   -0.1176   1.68033   35.2791   -0.1122   26.6237
 13  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.62503   -0.0850   1.21471   35.4481   -0.0837   19.8585
 14  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.58835   -0.0284   0.40501   35.6639   -0.0291   6.03278
 15  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.51348   0.02652   0.37885   35.9315   0.02855   5.92588
 16  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.44578   0.04422   0.63165   36.2464   0.05021   9.26449
 17  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.36715   0.07285   1.04068   36.5800   0.08765   14.5547
 18  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.27205   0.16795   2.39923   36.8713   0.21423   29.6447
 19  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.47478   -0.1348   1.92545   32.5486   -0.0838   11.5952
 20  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.40909   -0.1091   1.55847   32.7153   -0.0699   9.66690
 21  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.37715   -0.0771   1.10212   32.8612   -0.0507   8.42546
 22  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.30863   -0.0186   0.26623   33.0182   -0.0126   2.33038
 23  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.25139   -0.0014   0.01988   33.2010  -0.00097   0.20112
 24  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.19748   -0.0275   0.39251   33.4193   -0.0199   3.67398
 25  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.97297   0.12703   1.81469   33.6390   0.09642   16.0116
 26  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.79412   0.18588   2.65550   33.9071   0.14813   18.9215
 27  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.64086   0.12914   1.84480   34.2632   0.10878   25.8039
 28  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.36835   0.16165   2.30933   34.6693   0.14591   24.2293
 29  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.10789   0.18211   2.60161   35.1056   0.17693   13.9907
 30  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.86249   0.08751   1.25008   35.6812   0.09269   10.2614
 31  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.59294   0.11706   1.67222   36.2028   0.13543   16.0633
 32  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.17476   -0.2448   3.49653   34.2679   -0.1970   40.8889
 33  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.41918   -0.2392   3.41687   34.2502   -0.1926   35.5342
 34  1    6.32000   0.07000   700.000   30.0000   34.0408   0.00482   6.66857   -0.3486   4.97954   34.3234   -0.2827   58.6705
 35  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.91591   -0.3859   5.51302   34.3395   -0.3138   86.8570
 36  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.13766   -0.3777   5.39513   34.3392   -0.3081   63.9519
 37  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.41020   -0.3802   5.43150   34.3056   -0.3094   73.3937
 38  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.70112   -0.3211   4.58738   34.2058   -0.2590   47.7885
 39  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.97771   -0.2677   3.82448   34.1234   -0.2145   39.5777
 40  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.26438   -0.2244   3.20546   34.0416   -0.1785   37.0486
 41  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.18783   0.16217   2.31669   33.9764   0.13118   24.2039
 42  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33381   0.39619   5.65989   33.8562   0.32004   66.4302
 43  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.44825   0.26175   3.73928   34.0556   0.21704   36.0405
 44  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.63413   0.07587   1.08384   34.2457   0.06424   9.69690
 45  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.75837   -0.1384   1.97676   34.5218   -0.1209   25.1034
 46  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.25351   -0.2135   3.05008   33.4188   -0.1513   31.3999
 47  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.48443   -0.1644   2.34901   33.3797   -0.1164   24.1612
 48  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.72955   -0.2095   2.99356   33.3982   -0.1488   27.4486
 49  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.97150   -0.1915   2.73572   33.3739   -0.1359   28.2105
 50  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.19904   -0.1690   2.41485   33.3569   -0.1201   24.9277
<-------------------------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    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.48068   -0.2207   3.15263   33.3543   -0.1566   32.5148
 52  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.80483   -0.2148   3.06906   33.2802   -0.1512   31.3761
 53  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.14016   -0.1902   2.71661   33.1854   -0.1323   27.4678
 54  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.46310   -0.1431   2.04431   33.0848   -0.0985   20.4460
 55  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.76626   -0.1063   1.51805   33.0058   -0.0726   15.0594
 56  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0581   -0.0381   0.54490   32.9139   -0.0258   4.76421
 57  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3172   -0.0172   0.24503   32.8768   -0.0116   2.13682
 58  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5565   -0.0865   1.23583   32.9143   -0.0587   9.74366
 59  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8351   -0.2251   3.21613   32.9728   -0.1534   13.4027
 60  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.7281   -0.1981   2.83037   30.3575   -0.0866   8.99176
 61  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1762   -0.2562   3.65985   30.3749   -0.1125   12.4508
 62  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5720   -0.4020   5.74323   30.4560   -0.1785   29.6354
 63  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8571   -0.2471   3.53053   30.4526   -0.1106   20.4114
 64  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4933   -0.0233   0.33261   30.7179   -0.0110   2.03195
 65  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1557   -0.0157   0.22439   30.9833   -0.0078   1.43511
 66  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8487   0.12132   1.73315   31.1792   0.06249   9.43402
 67  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3906   0.22939   3.27703   31.4786   0.12496   25.9376
 68  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1431   0.09690   1.38424   31.8118   0.05552   9.21980
 69  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.94959   -0.0596   0.85133   31.6461   -0.0322   7.64885
 70  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.3128   -0.0628   0.89690   31.6891   -0.0343   8.14520
 71  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.6469   -0.0369   0.52723   31.7336   -0.0204   5.65508
 72  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   11.0040   -0.0440   0.62851   31.7848   -0.0246   5.84534
 73  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4365   -0.0865   1.23519   31.8143   -0.0488   11.5672
 74  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6598   -0.0698   0.99685   31.8038   -0.0394   8.17659
 75  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8586   -0.0786   1.12247   31.8216   -0.0446   10.5695
 76  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.9110   0.03900   0.55719   30.1753   0.01670   3.08030
 77  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.1430   -0.0230   0.32858   30.1940   -0.0099   1.82116
 78  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.4009   -0.0709   1.01252   30.1959   -0.0304   5.05173
 79  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.6338   -0.0738   1.05448   30.1894   -0.0317   5.84670
 80  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8375   -0.0675   0.96414   30.1915   -0.0290   5.35648
 81  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0947   -0.1147   1.63807   30.1938   -0.0493   10.2420
 82  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3295   -0.0995   1.42136   30.1788   -0.0428   8.88407
 83  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.6094   -0.1394   1.99144   30.1682   -0.0599   12.4270
 84  1    14.7500   0.07000   1300.00   30.0000   30.0722   0.00482   14.9093   -0.1593   2.27559   30.1403   -0.0682   14.1476
 85  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1442   -0.1342   1.91757   30.1211   -0.0574   11.9115
 86  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.3002   -0.0802   1.14528   30.1234   -0.0344   7.14249
 87  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3548   0.00517   0.07386   30.1560   0.00224   0.41420
 88  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2714   0.04859   0.69413   30.2680   0.02154   3.97346
 89  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0662   0.10379   1.48266   30.4324   0.04745   7.87911
 90  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.6389   -0.2489   3.55609   27.8000   -0.0710   11.7976
 91  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.2747   -0.1247   1.78114   27.6934   -0.0349   5.80014
 92  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.3949   -0.1549   2.21312   27.7256   -0.0437   7.24883
 93  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.4994   -0.1294   1.84817   27.7469   -0.0366   6.08583
 94  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.5690   -0.1290   1.84285   27.7857   -0.0368   6.11623
 95  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5187   0.00127   0.01820   27.8219   0.00037   0.08687
 96  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.4931   -0.0331   0.47272   27.8994   -0.0097   2.67947
 97  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.3512   -0.1012   1.44580   28.0229   -0.0302   8.36729
 98  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.0997   -0.0697   0.99629   28.1526   -0.0214   5.90899
 99  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.7434   -0.0034   0.04886   28.3076   -0.0011   0.35980
100  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.2487   0.12127   1.73244   28.4932   0.03967   13.1763
101  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.6913   0.31873   4.55330   28.6822   0.10849   36.0304
102  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1522   0.39782   5.68319   28.9130   0.14146   39.1490
103  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.5747   0.48528   6.93250   29.1649   0.18097   33.3893
104  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0375   0.41247   5.89240   29.4753   0.16211   33.6486
105  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.7288   0.08120   1.16001   29.4284   0.03074   10.2099
106  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0793   0.15072   2.15312   29.5351   0.05890   16.3022

EOSFIT-7.6>fit
     106 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:  41.5500           :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),




   RESULTS FROM CYCLE  1
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        41.55000  [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         2.11446          0.00446          0.05929           0.08
 q       1         1.50637          0.00637          0.10803           0.06
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   3.39 (AND ESD'S RESCALED BY W-CHI^2)


   RESULTS FROM CYCLE  2
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        41.55000  [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         2.11445         -0.00001          0.05938          -0.00
 q       1         1.50635         -0.00002          0.10797          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   3.39 (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        41.55000  [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         2.11445         -0.00001          0.05938          -0.00
 q       1         1.50635         -0.00002          0.10797          -0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   3.39 (AND ESD'S RESCALED BY W-CHI^2)

 INPUT <CR> TO CONTINUE

  THE 106 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    2.43000   0.07000   500.000   30.0000   38.1539   0.00361   2.33283   0.09717   1.38819   38.0132   0.14070   38.9389   98.353882
  2  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.55228   0.10772   1.53881   38.0297   0.15729   37.3126   98.119141
  3  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.74706   0.08294   1.18484   38.1347   0.12331   29.2516   97.921165
  4  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.90406   0.06594   0.94199   38.2881   0.10062   20.8855   97.657303
  5  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.88052   0.07948   1.13545   38.6849   0.12962   23.9161   97.027763
  6  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.88347   0.06653   0.95046   39.1114   0.11620   21.4386   96.458618
  7  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.82977   0.09023   1.28905   39.6101   0.17159   23.7436   95.667877
  8  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.79233   0.09767   1.39534   40.1562   0.20354   25.9985   94.909828
  9  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.11368   -0.0837   1.19542   35.0483   -0.0766   11.5592   102.55238
 10  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.36725   -0.0872   1.24640   35.0312   -0.0799   14.7361   102.53988
 11  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.51020   -0.1102   1.57424   35.1352   -0.1026   21.3020   102.36489
 12  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.59883   -0.1188   1.69753   35.2803   -0.1134   26.9042   102.15001
 13  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.62653   -0.0865   1.23616   35.4496   -0.0852   20.2160   101.80972
 14  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.59019   -0.0302   0.43130   35.6658   -0.0310   6.42710   101.33219
 15  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.51571   0.02429   0.34707   35.9338   0.02616   5.43021   100.85069
 16  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.44843   0.04157   0.59390   36.2494   0.04725   8.71762   100.31658
 17  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.37026   0.06974   0.99628   36.5836   0.08398   13.9453   99.751671
 18  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.27568   0.16432   2.34737   36.8757   0.20980   29.0324   99.090424
 19  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.47501   -0.1350   1.92874   32.5487   -0.0839   11.6158   105.60210
 20  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.40947   -0.1095   1.56379   32.7155   -0.0701   9.70121   105.12415
 21  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.37768   -0.0777   1.10968   32.8615   -0.0511   8.48500   105.18347
 22  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.30934   -0.0193   0.27636   33.0187   -0.0131   2.41976   104.99124
 23  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.25230   -0.0023   0.03283   33.2017   -0.0016   0.33335   104.79167
 24  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.19860   -0.0286   0.40858   33.4201   -0.0207   3.82601   104.33521
 25  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.97438   0.12562   1.79453   33.6400   0.09539   15.8393   103.71594
 26  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.79584   0.18416   2.63091   33.9084   0.14682   18.7544   102.86222
 27  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.64292   0.12708   1.81539   34.2649   0.10709   25.4048   103.10007
 28  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.37084   0.15916   2.27376   34.6714   0.14376   23.8720   102.22289
 29  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.11086   0.17914   2.55912   35.1084   0.17417   13.7720   100.29237
 30  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.86601   0.08399   1.19986   35.6849   0.08905   9.85810   100.51746
 31  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.59709   0.11291   1.61296   36.2074   0.13078   15.5113   99.903999
 32  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.17513   -0.2451   3.50191   34.2682   -0.1973   40.9554   104.12487
 33  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.41975   -0.2397   3.42496   34.2507   -0.1931   35.6222   103.79424
 34  1    6.32000   0.07000   700.000   30.0000   34.0408   0.00482   6.66932   -0.3493   4.99032   34.3241   -0.2833   58.8091   103.77444
 35  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.91685   -0.3869   5.52649   34.3404   -0.3147   87.0903   103.87289
 36  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.13879   -0.3788   5.41135   34.3402   -0.3091   64.1641   103.62542
 37  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.41152   -0.3815   5.45030   34.3068   -0.3106   73.6733   103.71878
 38  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.70261   -0.3226   4.60865   34.2071   -0.2603   48.0299   103.55415
 39  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.97937   -0.2694   3.84821   34.1248   -0.2159   39.8409   103.58250
 40  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.26621   -0.2262   3.23157   34.0431   -0.1800   37.3677   103.73301
 41  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.18996   0.16004   2.28622   33.9781   0.12952   23.8978   103.27753
 42  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33617   0.39383   5.62608   33.8579   0.31832   66.0723   103.26718
 43  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.45088   0.25912   3.70178   34.0576   0.21501   35.7029   102.92984
 44  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.63698   0.07302   1.04312   34.2481   0.06187   9.33929   102.76158
 45  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.76149   -0.1415   2.02133   34.5247   -0.1238   25.6918   102.93147
 46  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.25381   -0.2138   3.05441   33.4190   -0.1515   31.4474   105.29548
 47  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.48489   -0.1649   2.35554   33.3800   -0.1167   24.2309   105.03919
 48  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.73016   -0.2102   3.00228   33.3987   -0.1492   27.5316   104.76082
 49  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.97226   -0.1923   2.74662   33.3745   -0.1365   28.3293   104.81203
 50  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.19996   -0.1700   2.42797   33.3576   -0.1208   25.0678   104.74191
<-------------------------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    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.48174   -0.2217   3.16779   33.3551   -0.1574   32.6810   104.74557
 52  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.80602   -0.2160   3.08605   33.2811   -0.1521   31.5614   104.80489
 53  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.14147   -0.1915   2.73532   33.1864   -0.1333   27.6665   104.88319
 54  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.46453   -0.1445   2.06469   33.0858   -0.0995   20.6590   104.95304
 55  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.76781   -0.1078   1.54010   33.0069   -0.0736   15.2842   105.01017
 56  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0598   -0.0398   0.56864   32.9151   -0.0270   4.97325   104.91090
 57  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3189   -0.0189   0.27057   32.8780   -0.0128   2.36064   104.93299
 58  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5584   -0.0884   1.26328   32.9156   -0.0600   9.96663   104.77200
 59  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8372   -0.2272   3.24522   32.9743   -0.1548   13.5321   102.57562
 60  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.7282   -0.1982   2.83081   30.3575   -0.0867   8.99295   105.20937
 61  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1763   -0.2563   3.66080   30.3750   -0.1125   12.4552   105.40105
 62  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5721   -0.4021   5.74478   30.4561   -0.1785   29.6471   107.89733
 63  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8573   -0.2473   3.53300   30.4527   -0.1107   20.4283   108.14485
 64  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4937   -0.0237   0.33812   30.7181   -0.0112   2.06538   107.68224
 65  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1563   -0.0163   0.23241   30.9835   -0.0081   1.48649   107.35061
 66  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8494   0.12056   1.72231   31.1795   0.06212   9.37758   106.40665
 67  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3916   0.22835   3.26217   31.4792   0.12443   25.8279   106.79902
 68  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1444   0.09561   1.36581   31.8126   0.05481   9.10103   105.99502
 69  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.94975   -0.0597   0.85351   31.6462   -0.0323   7.66786   107.87884
 70  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.3131   -0.0631   0.90145   31.6893   -0.0345   8.18638   107.33363
 71  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.6474   -0.0374   0.53438   31.7339   -0.0207   5.73268   107.22786
 72  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   11.0047   -0.0447   0.63836   31.7852   -0.0250   5.93810   106.88339
 73  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4373   -0.0873   1.24760   31.8149   -0.0493   11.6871   106.82045
 74  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6607   -0.0707   1.01051   31.8043   -0.0399   8.29061   106.60630
 75  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8596   -0.0796   1.13752   31.8222   -0.0452   10.7147   106.77242
 76  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.9110   0.03898   0.55686   30.1753   0.01669   3.07854   109.15620
 77  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.1430   -0.0230   0.32911   30.1941   -0.0099   1.82397   108.83121
 78  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.4009   -0.0709   1.01320   30.1959   -0.0304   5.05521   108.21449
 79  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.6339   -0.0739   1.05535   30.1894   -0.0317   5.85304   108.53286
 80  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8376   -0.0676   0.96524   30.1916   -0.0291   5.36387   108.43750
 81  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0948   -0.1148   1.63931   30.1938   -0.0494   10.2527   108.79196
 82  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3296   -0.0996   1.42276   30.1788   -0.0429   8.89437   108.75630
 83  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.6095   -0.1395   1.99288   30.1682   -0.0599   12.4389   108.75496
 84  1    14.7500   0.07000   1300.00   30.0000   30.0722   0.00482   14.9094   -0.1594   2.27698   30.1404   -0.0682   14.1587   108.77179
 85  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1443   -0.1343   1.91905   30.1212   -0.0574   11.9238   108.75904
 86  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.3003   -0.0803   1.14713   30.1235   -0.0345   7.15556   108.71698
 87  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3550   0.00499   0.07124   30.1561   0.00217   0.40013   108.23798
 88  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2717   0.04831   0.69009   30.2681   0.02142   3.95129   108.09291
 89  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0666   0.10335   1.47646   30.4326   0.04726   7.84807   107.50140
 90  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.6384   -0.2484   3.54914   27.7999   -0.0709   11.7748   109.20127
 91  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.2745   -0.1245   1.77822   27.6934   -0.0349   5.78969   109.93177
 92  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.3946   -0.1546   2.20882   27.7255   -0.0436   7.23521   109.56710
 93  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.4990   -0.1290   1.84253   27.7468   -0.0365   6.06809   109.33813
 94  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.5685   -0.1285   1.83596   27.7855   -0.0367   6.09438   109.19834
 95  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5182   0.00183   0.02619   27.8218   0.00053   0.12488   111.82263
 96  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.4925   -0.0325   0.46376   27.8992   -0.0095   2.62827   112.38270
 97  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.3505   -0.1005   1.43610   28.0227   -0.0300   8.31186   112.21195
 98  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.0990   -0.0690   0.98621   28.1524   -0.0211   5.84987   112.00949
 99  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.7427   -0.0027   0.03880   28.3073  -0.00086   0.28568   112.27658
100  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.2481   0.12193   1.74187   28.4930   0.03990   13.2504   111.93412
101  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.6907   0.31931   4.56159   28.6819   0.10871   36.1032   111.54922
102  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1517   0.39829   5.68989   28.9128   0.14165   39.2029   110.77113
103  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.5744   0.48559   6.93705   29.1648   0.18113   33.4199   109.01158
104  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0374   0.41261   5.89442   29.4752   0.16220   33.6680   109.20536
105  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.7288   0.08124   1.16062   29.4283   0.03077   10.2175   111.63755
106  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0792   0.15084   2.15484   29.5350   0.05896   16.3176   110.10346

  FITTING STATISTICS FOR 2 PARAMETERS FITTED TO 106 DATA:
      CHI^2 (WEIGHTED)=   3.3872
      MAXIMUM DELTA-PRESSURE= 0.486


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


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     Gamm0     q
    Gamm0:   0.00353   0.00608
    q    :   0.00608   0.01166

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

EOSFIT-7.6>fit
     106 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:  41.5500           :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(6)           :Gruneisen parameter at Tref,Pref
       q:  1.51(11)          :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),




   RESULTS FROM CYCLE  1
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        41.55000  [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         2.11447          0.00001          0.05937           0.00
 q       1         1.50637          0.00002          0.10797           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   3.39 (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        41.55000  [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         2.11447          0.00001          0.05937           0.00
 q       1         1.50637          0.00002          0.10797           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
 W-CHI^2 =   3.39 (AND ESD'S RESCALED BY W-CHI^2)

 INPUT <CR> TO CONTINUE

  THE 106 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    2.43000   0.07000   500.000   30.0000   38.1539   0.00361   2.33283   0.09717   1.38816   38.0132   0.14069   38.9368   98.354195
  2  1    2.66000   0.07000   600.000   30.0000   38.1870   0.00422   2.55229   0.10771   1.53878   38.0297   0.15729   37.3117   98.119446
  3  1    2.83000   0.07000   700.000   30.0000   38.2581   0.00422   2.74706   0.08294   1.18479   38.1348   0.12330   29.2489   97.921478
  4  1    2.97000   0.07000   800.000   30.0000   38.3887   0.00482   2.90407   0.06593   0.94192   38.2881   0.10061   20.8831   97.657631
  5  1    2.96000   0.07000   900.000   30.0000   38.8145   0.00542   2.88052   0.07948   1.13536   38.6849   0.12962   23.9161   97.027451
  6  1    2.95000   0.07000   1000.00   30.0000   39.2276   0.00542   2.88348   0.06652   0.95035   39.1114   0.11618   21.4365   96.458908
  7  1    2.92000   0.07000   1100.00   30.0000   39.7817   0.00723   2.82978   0.09022   1.28891   39.6101   0.17157   23.7415   95.667557
  8  1    2.89000   0.07000   1200.00   30.0000   40.3598   0.00783   2.79234   0.09766   1.39517   40.1563   0.20351   25.9951   94.909843
  9  1    5.03000   0.07000   500.000   30.0000   34.9718   0.00662   5.11368   -0.0837   1.19543   35.0483   -0.0766   11.5592   102.55167
 10  1    5.28000   0.07000   600.000   30.0000   34.9513   0.00542   5.36725   -0.0872   1.24643   35.0312   -0.0799   14.7353   102.53988
 11  1    5.40000   0.07000   700.000   30.0000   35.0326   0.00482   5.51020   -0.1102   1.57426   35.1352   -0.1026   21.3028   102.36495
 12  1    5.48000   0.07000   800.000   30.0000   35.1669   0.00422   5.59883   -0.1188   1.69756   35.2803   -0.1134   26.9042   102.15001
 13  1    5.54000   0.07000   900.000   30.0000   35.3644   0.00422   5.62653   -0.0865   1.23620   35.4496   -0.0852   20.2169   101.80975
 14  1    5.56000   0.07000   1000.00   30.0000   35.6348   0.00482   5.59019   -0.0302   0.43135   35.6658   -0.0310   6.42868   101.33150
 15  1    5.54000   0.07000   1100.00   30.0000   35.9600   0.00482   5.51571   0.02429   0.34701   35.9339   0.02616   5.42942   100.85133
 16  1    5.49000   0.07000   1200.00   30.0000   36.2966   0.00542   5.44843   0.04157   0.59382   36.2494   0.04724   8.71621   100.31654
 17  1    5.44000   0.07000   1300.00   30.0000   36.6676   0.00602   5.37027   0.06973   0.99618   36.5836   0.08397   13.9434   99.751717
 18  1    5.44000   0.07000   1400.00   30.0000   37.0855   0.00723   5.27569   0.16431   2.34724   36.8758   0.20979   29.0303   99.090424
 19  1    8.34000   0.07000   500.000   30.0000   32.4648   0.00723   8.47501   -0.1350   1.92874   32.5487   -0.0839   11.6158   105.60210
 20  1    8.30000   0.07000   600.000   30.0000   32.6454   0.00723   8.40947   -0.1095   1.56379   32.7155   -0.0701   9.70121   105.12415
 21  1    8.30000   0.07000   700.000   30.0000   32.8104   0.00602   8.37768   -0.0777   1.10968   32.8615   -0.0511   8.48500   105.18206
 22  1    8.29000   0.07000   800.000   30.0000   33.0055   0.00542   8.30935   -0.0193   0.27637   33.0187   -0.0131   2.41976   104.98998
 23  1    8.25000   0.07000   900.000   30.0000   33.2001   0.00482   8.25230   -0.0023   0.03285   33.2017   -0.0016   0.33335   104.79167
 24  1    8.17000   0.07000   1000.00   30.0000   33.3994   0.00542   8.19860   -0.0286   0.40859   33.4201   -0.0207   3.82601   104.33381
 25  1    8.10000   0.07000   1100.00   30.0000   33.7354   0.00602   7.97438   0.12562   1.79450   33.6400   0.09538   15.8387   103.71594
 26  1    7.98000   0.07000   1200.00   30.0000   34.0552   0.00783   7.79584   0.18416   2.63087   33.9084   0.14682   18.7544   102.86163
 27  1    7.77000   0.07000   1300.00   30.0000   34.3720   0.00422   7.64293   0.12707   1.81533   34.2649   0.10709   25.4039   103.10007
 28  1    7.53000   0.07000   1400.00   30.0000   34.8152   0.00602   7.37084   0.15916   2.27370   34.6714   0.14375   23.8708   102.22289
 29  1    7.29000   0.07000   1500.00   30.0000   35.2825   0.01265   7.11087   0.17913   2.55904   35.1084   0.17416   13.7717   100.29359
 30  1    6.95000   0.07000   1600.00   30.0000   35.7739   0.00903   6.86602   0.08398   1.19976   35.6849   0.08904   9.85725   100.51814
 31  1    6.71000   0.07000   1700.00   30.0000   36.3382   0.00843   6.59710   0.11290   1.61284   36.2074   0.13076   15.5099   99.905151
 32  1    5.93000   0.07000   500.000   30.0000   34.0709   0.00482   6.17513   -0.2451   3.50192   34.2682   -0.1973   40.9554   104.12487
 33  1    6.18000   0.07000   600.000   30.0000   34.0576   0.00542   6.41975   -0.2397   3.42497   34.2507   -0.1931   35.6222   103.79359
 34  1    6.32000   0.07000   700.000   30.0000   34.0408   0.00482   6.66932   -0.3493   4.99033   34.3241   -0.2833   58.8099   103.77444
 35  1    6.53000   0.07000   800.000   30.0000   34.0257   0.00361   6.91686   -0.3869   5.52651   34.3404   -0.3147   87.0903   103.87286
 36  1    6.76000   0.07000   900.000   30.0000   34.0311   0.00482   7.13880   -0.3788   5.41137   34.3402   -0.3091   64.1641   103.62471
 37  1    7.03000   0.07000   1000.00   30.0000   33.9962   0.00422   7.41152   -0.3815   5.45032   34.3068   -0.3106   73.6742   103.71878
 38  1    7.38000   0.07000   1100.00   30.0000   33.9468   0.00542   7.70261   -0.3226   4.60868   34.2071   -0.2603   48.0299   103.55400
 39  1    7.71000   0.07000   1200.00   30.0000   33.9089   0.00542   7.97938   -0.2694   3.84824   34.1248   -0.2159   39.8416   103.58180
 40  1    8.04000   0.07000   1300.00   30.0000   33.8631   0.00482   8.26621   -0.2262   3.23159   34.0431   -0.1800   37.3693   103.73314
 41  1    8.35000   0.07000   1400.00   30.0000   34.1076   0.00542   8.18997   0.16003   2.28616   33.9781   0.12952   23.8978   103.27613
 42  1    8.73000   0.07000   1500.00   30.0000   34.1762   0.00482   8.33618   0.39382   5.62602   33.8579   0.31831   66.0715   103.26718
 43  1    8.71000   0.07000   1600.00   30.0000   34.2726   0.00602   8.45088   0.25912   3.70173   34.0576   0.21500   35.7022   102.92998
 44  1    8.71000   0.07000   1700.00   30.0000   34.3099   0.00662   8.63699   0.07301   1.04305   34.2481   0.06186   9.33814   102.76143
 45  1    8.62000   0.07000   1800.00   30.0000   34.4009   0.00482   8.76150   -0.1415   2.02138   34.5247   -0.1238   25.6933   102.92996
 46  1    7.04000   0.07000   500.000   30.0000   33.2675   0.00482   7.25381   -0.2138   3.05441   33.4190   -0.1515   31.4474   105.29548
 47  1    7.32000   0.07000   600.000   30.0000   33.2633   0.00482   7.48489   -0.1649   2.35554   33.3800   -0.1167   24.2309   105.03919
 48  1    7.52000   0.07000   700.000   30.0000   33.2494   0.00542   7.73016   -0.2102   3.00228   33.3987   -0.1492   27.5316   104.76075
 49  1    7.78000   0.07000   800.000   30.0000   33.2380   0.00482   7.97226   -0.1923   2.74662   33.3745   -0.1365   28.3285   104.81197
 50  1    8.03000   0.07000   900.000   30.0000   33.2368   0.00482   8.19996   -0.1700   2.42797   33.3576   -0.1208   25.0686   104.74064
<-------------------------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    8.26000   0.07000   1000.00   30.0000   33.1977   0.00482   8.48175   -0.2217   3.16781   33.3551   -0.1575   32.6818   104.74541
 52  1    8.59000   0.07000   1100.00   30.0000   33.1290   0.00482   8.80602   -0.2160   3.08606   33.2810   -0.1521   31.5606   104.80362
 53  1    8.95000   0.07000   1200.00   30.0000   33.0531   0.00482   9.14147   -0.1915   2.73533   33.1864   -0.1333   27.6665   104.88319
 54  1    9.32000   0.07000   1300.00   30.0000   32.9863   0.00482   9.46453   -0.1445   2.06470   33.0858   -0.0995   20.6590   104.95289
 55  1    9.66000   0.07000   1400.00   30.0000   32.9333   0.00482   9.76781   -0.1078   1.54012   33.0069   -0.0736   15.2850   105.01017
 56  1    10.0200   0.07000   1500.00   30.0000   32.8881   0.00542   10.0598   -0.0398   0.56865   32.9151   -0.0270   4.97325   104.91231
 57  1    10.3000   0.07000   1600.00   30.0000   32.8652   0.00542   10.3189   -0.0189   0.27058   32.8780   -0.0128   2.36134   104.93157
 58  1    10.4700   0.07000   1700.00   30.0000   32.8556   0.00602   10.5584   -0.0884   1.26329   32.9156   -0.0600   9.96663   104.77200
 59  1    10.6100   0.07000   1800.00   30.0000   32.8195   0.01144   10.8372   -0.2272   3.24523   32.9743   -0.1548   13.5321   102.57562
 60  1    12.5300   0.07000   500.000   30.0000   30.2709   0.00964   12.7282   -0.1982   2.83081   30.3575   -0.0867   8.99295   105.20802
 61  1    12.9200   0.07000   700.000   30.0000   30.2625   0.00903   13.1763   -0.2563   3.66077   30.3750   -0.1125   12.4548   105.40105
 62  1    13.1700   0.07000   900.000   30.0000   30.2775   0.00602   13.5721   -0.4021   5.74474   30.4561   -0.1785   29.6471   107.89848
 63  1    13.6100   0.07000   1100.00   30.0000   30.3420   0.00542   13.8573   -0.2473   3.53297   30.4527   -0.1107   20.4283   108.14341
 64  1    13.4700   0.07000   1300.00   30.0000   30.7069   0.00542   13.4937   -0.0237   0.33809   30.7181   -0.0112   2.06574   107.68080
 65  1    13.1400   0.07000   1400.00   30.0000   30.9755   0.00542   13.1563   -0.0163   0.23237   30.9835   -0.0081   1.48613   107.35061
 66  1    12.9700   0.07000   1500.00   30.0000   31.2417   0.00662   12.8494   0.12056   1.72234   31.1795   0.06212   9.37758   106.40637
 67  1    12.6200   0.07000   1600.00   30.0000   31.6036   0.00482   12.3916   0.22835   3.26219   31.4792   0.12444   25.8295   106.79902
 68  1    12.2400   0.07000   1700.00   30.0000   31.8674   0.00602   12.1444   0.09561   1.36584   31.8126   0.05481   9.10103   105.99358
 69  1    9.89000   0.07000   500.000   30.0000   31.6138   0.00422   9.94975   -0.0597   0.85350   31.6462   -0.0323   7.66786   107.87901
 70  1    10.2500   0.07000   700.000   30.0000   31.6548   0.00422   10.3131   -0.0631   0.90145   31.6893   -0.0345   8.18683   107.33363
 71  1    10.6100   0.07000   900.000   30.0000   31.7132   0.00361   10.6474   -0.0374   0.53437   31.7339   -0.0207   5.73268   107.22786
 72  1    10.9600   0.07000   1100.00   30.0000   31.7602   0.00422   11.0047   -0.0447   0.63835   31.7852   -0.0250   5.93855   106.88195
 73  1    11.3500   0.07000   1300.00   30.0000   31.7656   0.00422   11.4373   -0.0873   1.24758   31.8148   -0.0493   11.6862   106.81900
 74  1    11.5900   0.07000   1400.00   30.0000   31.7644   0.00482   11.6607   -0.0707   1.01050   31.8043   -0.0399   8.29101   106.60630
 75  1    11.7800   0.07000   1500.00   30.0000   31.7770   0.00422   11.8596   -0.0796   1.13750   31.8222   -0.0452   10.7156   106.77097
 76  1    12.9500   0.07000   500.000   30.0000   30.1920   0.00542   12.9110   0.03898   0.55688   30.1753   0.01668   3.07819   109.15504
 77  1    13.1200   0.07000   600.000   30.0000   30.1842   0.00542   13.1430   -0.0230   0.32910   30.1941   -0.0099   1.82362   108.83121
 78  1    13.3300   0.07000   700.000   30.0000   30.1655   0.00602   13.4009   -0.0709   1.01318   30.1959   -0.0304   5.05489   108.21449
 79  1    13.5600   0.07000   800.000   30.0000   30.1577   0.00542   13.6339   -0.0739   1.05532   30.1894   -0.0317   5.85268   108.53257
 80  1    13.7700   0.07000   900.000   30.0000   30.1625   0.00542   13.8376   -0.0676   0.96521   30.1916   -0.0291   5.36387   108.43605
 81  1    13.9800   0.07000   1000.00   30.0000   30.1444   0.00482   14.0947   -0.1147   1.63927   30.1938   -0.0494   10.2519   108.79196
 82  1    14.2300   0.07000   1100.00   30.0000   30.1360   0.00482   14.3296   -0.0996   1.42272   30.1788   -0.0428   8.89397   108.75630
 83  1    14.4700   0.07000   1200.00   30.0000   30.1083   0.00482   14.6095   -0.1395   1.99283   30.1682   -0.0599   12.4385   108.75496
 84  1    14.7500   0.07000   1300.00   30.0000   30.0722   0.00482   14.9094   -0.1594   2.27694   30.1404   -0.0682   14.1583   108.77034
 85  1    15.0100   0.07000   1400.00   30.0000   30.0637   0.00482   15.1443   -0.1343   1.91900   30.1212   -0.0574   11.9234   108.75904
 86  1    15.2200   0.07000   1500.00   30.0000   30.0890   0.00482   15.3003   -0.0803   1.14707   30.1235   -0.0345   7.15437   108.71673
 87  1    15.3600   0.07000   1600.00   30.0000   30.1583   0.00542   15.3550   0.00499   0.07132   30.1561   0.00216   0.39942   108.23914
 88  1    15.3200   0.07000   1700.00   30.0000   30.2896   0.00542   15.2717   0.04831   0.69017   30.2681   0.02142   3.95235   108.09119
 89  1    15.1700   0.07000   1800.00   30.0000   30.4799   0.00602   15.0666   0.10336   1.47655   30.4326   0.04727   7.84934   107.50140
 90  1    20.3900   0.07000   800.000   30.0000   27.7289   0.00602   20.6384   -0.2484   3.54909   27.7999   -0.0709   11.7751   109.20127
 91  1    20.1500   0.07000   500.000   30.0000   27.6585   0.00602   20.2745   -0.1245   1.77819   27.6934   -0.0349   5.78969   109.93177
 92  1    20.2400   0.07000   600.000   30.0000   27.6820   0.00602   20.3946   -0.1546   2.20879   27.7255   -0.0436   7.23521   109.56527
 93  1    20.3700   0.07000   700.000   30.0000   27.7103   0.00602   20.4990   -0.1290   1.84250   27.7468   -0.0365   6.06841   109.33813
 94  1    20.4400   0.07000   800.000   30.0000   27.7488   0.00602   20.5685   -0.1285   1.83590   27.7855   -0.0367   6.09438   109.19650
 95  1    20.5200   0.07000   900.000   30.0000   27.8223   0.00422   20.5182   0.00184   0.02624   27.8218   0.00053   0.12533   111.82263
 96  1    20.4600   0.07000   1000.00   30.0000   27.8897   0.00361   20.4925   -0.0325   0.46368   27.8992   -0.0095   2.62774   112.38211
 97  1    20.2500   0.07000   1100.00   30.0000   27.9927   0.00361   20.3505   -0.1005   1.43602   28.0227   -0.0300   8.31080   112.21136
 98  1    20.0300   0.07000   1200.00   30.0000   28.1312   0.00361   20.0990   -0.0690   0.98610   28.1524   -0.0211   5.84987   112.01247
 99  1    19.7400   0.07000   1300.00   30.0000   28.3065   0.00301   19.7427   -0.0027   0.03869   28.3073  -0.00086   0.28505   112.27357
100  1    19.3700   0.07000   1400.00   30.0000   28.5329   0.00301   19.2481   0.12194   1.74198   28.4930   0.03990   13.2517   111.93412
101  1    19.0100   0.07000   1500.00   30.0000   28.7907   0.00301   18.6907   0.31932   4.56170   28.6819   0.10871   36.1032   111.54663
102  1    18.5500   0.07000   1600.00   30.0000   29.0544   0.00361   18.1517   0.39830   5.69000   28.9128   0.14166   39.2045   110.77113
103  1    18.0600   0.07000   1700.00   30.0000   29.3459   0.00542   17.5744   0.48560   6.93716   29.1648   0.18114   33.4209   109.01158
104  1    17.4500   0.07000   1800.00   30.0000   29.6374   0.00482   17.0374   0.41262   5.89452   29.4752   0.16221   33.6692   109.20536
105  1    14.8100   0.07000   500.000   30.0000   29.4591   0.00301   14.7288   0.08124   1.16064   29.4283   0.03076   10.2168   111.63755
106  1    16.2300   0.07000   1300.00   30.0000   29.5940   0.00361   16.0792   0.15084   2.15490   29.5350   0.05896   16.3176   110.10387

  FITTING STATISTICS FOR 2 PARAMETERS FITTED TO 106 DATA:
      CHI^2 (WEIGHTED)=   3.3871
      MAXIMUM DELTA-PRESSURE= 0.486


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


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     Gamm0     q
    Gamm0:   0.00353   0.00608
    q    :   0.00608   0.01166

 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_lvp_only_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:  41.5500           :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(6)           :Gruneisen parameter at Tref,Pref
       q:  1.51(11)          :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_lvp_only_printed_theta/fitted.eos


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


EOSFIT-7.6>
***** Macro completed

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