***********************************************************************************************************************
*                                                                                                                     *
*                                                     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:  3-OCT-2026 13:28                                                                     *
*                                                                                                                     *
***********************************************************************************************************************

EOSFIT-7.6>

Successfully opened file for macros
Named /Users/clemens/Programming/peritheos/docs/data/fes-eosfit7c-staged-q-compromise/unit/run.mcr

***** Running macro

EOSFIT-7.6>log /Users/clemens/Programming/peritheos/docs/data/fes-eosfit7c-staged-q-compromise/unit/run.log


Successfully opened Log file
Named /Users/clemens/Programming/peritheos/docs/data/fes-eosfit7c-staged-q-compromise/unit/run.log


EOSFIT-7.6>read /Users/clemens/Programming/peritheos/docs/data/fes-eosfit7c-staged-q-compromise/unit/cold.dat


Successfully opened data file
Named /Users/clemens/Programming/peritheos/docs/data/fes-eosfit7c-staged-q-compromise/unit/cold.dat



        The title on the file is: FeS audit cold unchanged observations
             The data in the file is for:T  ,P  ,V
               with esds in the file for:P  ,V

Only data available is for V: This will be selected

           The title on the data file is:  FeS audit cold unchanged observations

  THE  13 LOADED DATA ARE AS FOLLOWS:
<-------------------Observed Values--------------------->
  N USE         P      esdP      T(K)       V      esd(V)
              GPA                        CM^3/MOL
  1  1    68.9000   0.40000   300.000   11.5490   0.00452
  2  1    84.8000   0.40000   300.000   11.0747   0.00452
  3  1    101.100   0.20000   300.000   10.7345   0.00452
  4  1    70.3000   0.10000   300.000   11.4752   0.00301
  5  1    39.0000   0.10000   300.000   12.4839   0.00452
  6  1    44.3000   0.10000   300.000   12.3062   0.00452
  7  1    112.300   0.50000   300.000   10.5297   0.00903
  8  1    130.600   0.50000   300.000   10.2753   0.00903
  9  1    148.500   0.60000   300.000   10.0103   0.00753
 10  1    170.500   0.60000   300.000   9.74232   0.00753
 11  1    185.500   0.60000   300.000   9.47283   0.00753
 12  1    198.200   0.60000   300.000   9.37948   0.00753
 13  1    214.500   0.60000   300.000   9.23043   0.00753

       Esds available for all data points for:  P, 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):14.89877624024
          VALUE OF K0    (    10.000):148
          VALUE OF Kp    (     4.000):4.53
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 
 
   System: 
    Class: Volume
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  14.8988           :Reference pressure volume: units as volume data
      K0:  148.000           :Bulk modulus: same units as pressure data
      Kp:  4.53000           :dK/dP: dimensionless
     Kpp: -0.0318            :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>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:  14.8988           :Reference pressure volume: units as volume data
      K0:  148.000           :Bulk modulus: units are GPa
      Kp:  4.53000           :dK/dP: dimensionless
     Kpp: -0.0318            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  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:  14.8988           :Reference pressure volume: units are cm^3/mol
      K0:  148.000           :Bulk modulus: units are GPa
      Kp:  4.53000           :dK/dP: dimensionless
     Kpp: -0.0318            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  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/fes-eosfit7c-staged-q-compromise/unit/cold-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:  14.8988           :Reference pressure volume: units are cm^3/mol
      K0:  148.000           :Bulk modulus: units are GPa
      Kp:  4.53000           :dK/dP: dimensionless
     Kpp: -0.0318            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  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/fes-eosfit7c-staged-q-compromise/unit/cold-initial.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/fes-eosfit7c-staged-q-compromise/unit/cold-initial.eos


EOSFIT-7.6>list

           The title on the data file is:  FeS audit cold unchanged observations
           The calculated values are from:

  THE  13 LOADED DATA ARE AS FOLLOWS:
<--------------------Observed Values----------------------><----------------Calculated Values ----------------------->
  N USE         P      esdP      T(K)       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd
              GPA                        CM^3/MOL               GPa                       cm^3/mol
  1  1    68.9000   0.40000   300.000   11.5490   0.00452   67.4257   1.47427   3.68567   11.5088   0.04021   8.90223
  2  1    84.8000   0.40000   300.000   11.0747   0.00452   86.4953   -1.6953   4.23815   11.1132   -0.0385   8.53061
  3  1    101.100   0.20000   300.000   10.7345   0.00452   102.741   -1.6413   8.20675   10.7667   -0.0322   7.12922
  4  1    70.3000   0.10000   300.000   11.4752   0.00301   70.1497   0.15033   1.50330   11.4712   0.00401   1.33055
  5  1    39.0000   0.10000   300.000   12.4839   0.00452   39.1538   -0.1538   1.53793   12.4901   -0.0062   1.36782
  6  1    44.3000   0.10000   300.000   12.3062   0.00452   43.7405   0.55955   5.59547   12.2854   0.02084   4.61338
  7  1    112.300   0.50000   300.000   10.5297   0.00903   113.735   -1.4347   2.86932   10.5554   -0.0257   2.84544
  8  1    130.600   0.50000   300.000   10.2753   0.00903   128.850   1.74959   3.49918   10.2476   0.02767   3.06355
  9  1    148.500   0.60000   300.000   10.0103   0.00753   146.532   1.96753   3.27922   9.98269   0.02761   3.66778
 10  1    170.500   0.60000   300.000   9.74232   0.00753   166.725   3.77460   6.29100   9.69571   0.04661   6.19193
 11  1    185.500   0.60000   300.000   9.47283   0.00753   189.735   -4.2348   7.05800   9.51993   -0.0471   6.25705
 12  1    198.200   0.60000   300.000   9.37948   0.00753   198.413   -0.2128   0.35469   9.38173   -0.0022   0.29785
 13  1    214.500   0.60000   300.000   9.23043   0.00753   213.101   1.39949   2.33248   9.21678   0.01366   1.81444

EOSFIT-7.6>fit
      13 data for V will be used in least-squares
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved:  3-OCT-2026 at 13:28
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  14.8988           :Reference pressure volume: units are cm^3/mol
      K0:  148.000           :Bulk modulus: units are GPa
      Kp:  4.53000           :dK/dP: dimensionless
     Kpp: -0.0318            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  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)?y
           REFINE K0     (Y/N)?y
           REFINE Kp     (Y/N)?y

 SELECT WEIGHTING SCHEME:
     SIGMAS FOR P   PRESENT, USE IN WEIGHTS (Y/N)?n
     SIGMAS FOR V   PRESENT, USE IN WEIGHTS (Y/N)?n

     EQUATION FITTED WITH UNIT WEIGHTS FOR ALL DATA




   RESULTS FROM CYCLE  1
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      1        14.89415         -0.00462          0.42525          -0.01
 K0      1       148.58301          0.58301         34.53120           0.02
 Kp      1         4.52352         -0.00648          0.46211          -0.01
 Kpp     0        -0.03154  [IMPLIED VALUE]
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED


   RESULTS FROM CYCLE  2
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      1        14.89429          0.00014          0.42194           0.00
 K0      1       148.57274         -0.01026         34.40418          -0.00
 Kp      1         4.52367          0.00015          0.45847           0.00
 Kpp     0        -0.03155  [IMPLIED VALUE]
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED


***********************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      1        14.89429          0.00014          0.42194           0.00
 K0      1       148.57274         -0.01026         34.40418          -0.00
 Kp      1         4.52367          0.00015          0.45847           0.00
 Kpp     0        -0.03155  [IMPLIED VALUE]
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED

 INPUT <CR> TO CONTINUE

  THE  13 LOADED DATA ARE AS FOLLOWS:
<--------------------Observed Values----------------------><----------------Calculated Values -------------------------------->
  N USE         P      esdP      T(K)       V      esd(V)      Pcal    deltaP delta/esd    V  cal    deltaV   delV/esd       Wt
              GPA                        CM^3/MOL               GPa                       cm^3/mol
  1  1    68.9000   0.40000   300.000   11.5490   0.00452   67.5046   1.39540   3.48850   11.5109   0.03802   8.41807   1.0000000
  2  1    84.8000   0.40000   300.000   11.0747   0.00452   86.5989   -1.7989   4.49717   11.1156   -0.0409   9.04602   1.0000000
  3  1    101.100   0.20000   300.000   10.7345   0.00452   102.864   -1.7639   8.81927   10.7690   -0.0346   7.65645   1.0000000
  4  1    70.3000   0.10000   300.000   11.4752   0.00301   70.2323   0.06767   0.67673   11.4734   0.00180   0.59797   1.0000000
  5  1    39.0000   0.10000   300.000   12.4839   0.00452   39.1892   -0.1892   1.89194   12.4915   -0.0076   1.68053   1.0000000
  6  1    44.3000   0.10000   300.000   12.3062   0.00452   43.7836   0.51638   5.16384   12.2870   0.01921   4.25232   1.0000000
  7  1    112.300   0.50000   300.000   10.5297   0.00903   113.869   -1.5687   3.13742   10.5578   -0.0281   3.10958   1.0000000
  8  1    130.600   0.50000   300.000   10.2753   0.00903   128.999   1.60085   3.20169   10.2500   0.02531   2.80205   1.0000000
  9  1    148.500   0.60000   300.000   10.0103   0.00753   146.697   1.80347   3.00578   9.98501   0.02530   3.36068   1.0000000
 10  1    170.500   0.60000   300.000   9.74232   0.00753   166.905   3.59485   5.99141   9.69794   0.04438   5.89586   1.0000000
 11  1    185.500   0.60000   300.000   9.47283   0.00753   189.930   -4.4299   7.38317   9.52209   -0.0493   6.54450   1.0000000
 12  1    198.200   0.60000   300.000   9.37948   0.00753   198.613   -0.4132   0.68871   9.38383   -0.0043   0.57783   1.0000000
 13  1    214.500   0.60000   300.000   9.23043   0.00753   213.309   1.19115   1.98524   9.21881   0.01162   1.54421   1.0000000

  FITTING STATISTICS FOR 3 PARAMETERS FITTED TO  13 DATA:
      MAXIMUM DELTA-PRESSURE=-4.430


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      V0        K0        Kp
    V0   :     100.0     -99.2      95.5
    K0   :     -99.2     100.0     -98.5
    Kp   :      95.5     -98.5     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     V0        K0        Kp
    V0   :   0.17803 -14.39985   0.18480
    K0   : -14.399851183.64758 -15.52922
    Kp   :   0.18480 -15.52922   0.21020

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

EOSFIT-7.6>save /Users/clemens/Programming/peritheos/docs/data/fes-eosfit7c-staged-q-compromise/unit/cold-fitted.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved:  3-OCT-2026 at 13:28
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  14.9(4)           :Reference pressure volume: units are cm^3/mol
      K0:  149(34)           :Bulk modulus: units are GPa
      Kp:  4.5(5)            :dK/dP: dimensionless
     Kpp: -0.0315            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  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/fes-eosfit7c-staged-q-compromise/unit/cold-fitted.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/fes-eosfit7c-staged-q-compromise/unit/cold-fitted.eos


EOSFIT-7.6>clear

*****WARNING: This command will delete all of your data loaded in EosFit

Are you sure you want to clear all data? (Y/N) <N>?y
     All data has been cleared from EosFit
     The datafiles have not been changed

EOSFIT-7.6>read /Users/clemens/Programming/peritheos/docs/data/fes-eosfit7c-staged-q-compromise/unit/all.dat


Successfully opened data file
Named /Users/clemens/Programming/peritheos/docs/data/fes-eosfit7c-staged-q-compromise/unit/all.dat



        The title on the file is: FeS audit combined unchanged 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:  FeS audit combined unchanged observations
           The calculated values are from:

  THE 159 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    29.5964   1.29360   1450.00   150.000   13.6915   0.00301   15.1420   14.4545   11.1738   12.9005   0.79102   262.981
  2  1    29.6173   1.38320   1530.00   150.000   13.7501   0.00330   14.2358   15.3814   11.1202   12.8995   0.85055   257.781
  3  1    29.6810   1.47280   1610.00   150.000   13.7997   0.00363   13.4832   16.1979   10.9980   12.8965   0.90319   249.031
  4  1    29.9049   1.58480   1710.00   150.000   13.8950   0.00426   12.0773   17.8277   11.2492   12.8860   1.00900   237.032
  5  1    33.1277   1.09200   1270.00   150.000   13.3755   0.00163   20.3980   12.7297   11.6572   12.7391   0.63632   391.345
  6  1    33.2312   1.18160   1350.00   150.000   13.4022   0.00199   19.9280   13.3032   11.2586   12.7346   0.66767   335.076
  7  1    33.4179   1.31600   1470.00   150.000   13.4598   0.00519   18.9334   14.4845   11.0065   12.7263   0.73347   141.298
  8  1    33.4179   1.31600   1470.00   150.000   13.4598   0.00519   18.9334   14.4845   11.0065   12.7263   0.73347   141.298
  9  1    41.6518   1.03600   1220.00   150.000   12.8114   0.00274   31.5198   10.1321   9.77998   12.3871   0.42425   154.592
 10  1    41.7693   1.15920   1330.00   150.000   12.8353   0.00263   30.9977   10.7716   9.29231   12.3826   0.45267   172.359
 11  1    41.6736   1.26000   1420.00   150.000   12.8651   0.00241   30.3524   11.3212   8.98509   12.3863   0.47883   198.787
 12  1    41.9291   1.36080   1510.00   150.000   12.9205   0.00185   29.1751   12.7540   9.37241   12.3765   0.54402   293.506
 13  1    41.8033   1.43920   1580.00   150.000   12.9557   0.00343   28.4388   13.3646   9.28611   12.3813   0.57443   167.419
 14  1    41.9176   1.50640   1640.00   150.000   12.9755   0.00226   28.0288   13.8888   9.21988   12.3769   0.59865   265.147
 15  1    42.1986   1.62960   1750.00   150.000   13.0099   0.00374   27.3251   14.8735   9.12706   12.3661   0.64382   172.342
 16  1    42.6556   1.78640   1890.00   150.000   13.0421   0.00396   26.6756   15.9800   8.94539   12.3487   0.69340   175.184
 17  1    45.1681   1.06960   1250.00   150.000   12.6352   0.00424   35.5235   9.64463   9.01704   12.2551   0.38009   89.6920
 18  1    44.9994   1.17040   1340.00   150.000   12.6738   0.00406   34.6228   10.3766   8.86585   12.2613   0.41250   101.592
 19  1    44.9909   1.24880   1410.00   150.000   12.6940   0.00419   34.1551   10.8358   8.67693   12.2616   0.43246   103.286
 20  1    44.9010   1.38320   1530.00   150.000   12.7795   0.00235   32.2237   12.6772   9.16516   12.2649   0.51462   218.804
 21  1    44.8590   1.52880   1660.00   150.000   12.8028   0.00322   31.7082   13.1508   8.60205   12.2664   0.53638   166.725
 22  1    44.9072   1.64080   1760.00   150.000   12.8582   0.00294   30.5018   14.4054   8.77951   12.2646   0.59353   201.736
 23  1    44.9390   1.74160   1850.00   150.000   12.9173   0.00362   29.2413   15.6977   9.01338   12.2635   0.65385   180.717
 24  1    45.0022   1.84240   1940.00   150.000   12.9427   0.00392   28.7104   16.2918   8.84271   12.2612   0.68150   173.676
 25  1    45.0678   1.90960   2000.00   150.000   12.9834   0.00433   27.8674   17.2004   9.00734   12.2588   0.72464   167.279
 26  1    45.1985   2.02160   2100.00   150.000   13.0166   0.00520   27.1906   18.0079   8.90775   12.2540   0.76261   146.709
 27  1    45.2392   2.12240   2190.00   150.000   13.1062   0.00466   25.4047   19.8345   9.34532   12.2525   0.85375   183.036
 28  1    45.3343   2.23440   2290.00   150.000   13.1220   0.00493   25.0969   20.2374   9.05720   12.2490   0.87299   177.149
 29  1    54.1843   1.03600   1220.00   150.000   12.2175   0.00381   46.2019   7.98241   7.70503   11.9453   0.27221   71.3637
 30  1    54.2740   1.08080   1260.00   150.000   12.2301   0.00219   45.8554   8.41864   7.78927   11.9424   0.28763   131.197
 31  1    54.2970   1.17040   1340.00   150.000   12.2500   0.00200   45.3075   8.98950   7.68071   11.9417   0.30829   154.352
 32  1    54.2284   1.27120   1430.00   150.000   12.2737   0.00174   44.6598   9.56866   7.52726   11.9439   0.32984   189.084
 33  1    54.1407   1.32720   1480.00   150.000   12.3063   0.00205   43.7833   10.3574   7.80395   11.9467   0.35951   175.306
 34  1    54.1687   1.43920   1580.00   150.000   12.3363   0.00247   42.9829   11.1859   7.77229   11.9458   0.39048   158.197
 35  1    54.2215   1.55120   1680.00   150.000   12.3764   0.00333   41.9316   12.2899   7.92281   11.9441   0.43222   129.921
 36  1    54.2202   1.62960   1750.00   150.000   12.4062   0.00459   41.1586   13.0616   8.01522   11.9442   0.46203   100.630
 37  1    54.2211   1.69680   1810.00   150.000   12.4249   0.00480   40.6789   13.5422   7.98101   11.9441   0.48076   100.156
 38  1    54.2430   1.77520   1880.00   150.000   12.4580   0.00387   39.8379   14.4051   8.11464   11.9434   0.51460   132.849
 39  1    54.2302   1.84240   1940.00   150.000   12.4695   0.00403   39.5504   14.6798   7.96776   11.9439   0.52561   130.522
 40  1    54.2358   1.93200   2020.00   150.000   12.4931   0.00415   38.9604   15.2754   7.90653   11.9437   0.54941   132.283
 41  1    54.2892   2.04400   2120.00   150.000   12.5415   0.00433   37.7679   16.5213   8.08285   11.9419   0.59954   138.305
 42  1    54.2243   2.13360   2200.00   150.000   12.5877   0.00492   36.6497   17.5746   8.23706   11.9440   0.64369   130.787
 43  1    57.9981   1.12560   1300.00   150.000   12.0885   0.00309   49.8784   8.11974   7.21370   11.8251   0.26332   85.2311
 44  1    58.0563   1.24880   1410.00   150.000   12.1192   0.00340   48.9856   9.07074   7.26357   11.8234   0.29585   87.1354
 45  1    58.0852   1.30480   1460.00   150.000   12.1072   0.00322   49.3321   8.75309   6.70838   11.8225   0.28476   88.4940
 46  1    58.1264   1.37200   1520.00   150.000   12.1205   0.00278   48.9473   9.17914   6.69033   11.8212   0.29933   107.632
 47  1    58.2363   1.49520   1630.00   150.000   12.1345   0.00286   48.5442   9.69212   6.48215   11.8178   0.31671   110.605
 48  1    58.3077   1.57360   1700.00   150.000   12.1414   0.00286   48.3462   9.96149   6.33038   11.8156   0.32581   114.118
 49  1    58.5404   1.65200   1770.00   150.000   12.1618   0.00263   47.7655   10.7748   6.52230   11.8085   0.35331   134.123
 50  1    58.6663   1.74160   1850.00   150.000   12.2158   0.00254   46.2509   12.4153   7.12869   11.8047   0.41111   161.809
<-------------------------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    58.8002   1.83120   1930.00   150.000   12.2296   0.00340   45.8684   12.9318   7.06194   11.8006   0.42900   126.193
 52  1    58.8179   1.92080   2010.00   150.000   12.2413   0.00282   45.5460   13.2719   6.90956   11.8001   0.44124   156.300
 53  1    58.9342   1.98800   2070.00   150.000   12.2520   0.00379   45.2514   13.6828   6.88270   11.7965   0.45552   120.188
 54  1    59.1212   2.11120   2180.00   150.000   12.2584   0.00401   45.0764   14.0448   6.65254   11.7908   0.46760   116.567
 55  1    59.2891   2.18960   2250.00   150.000   12.2828   0.00503   44.4138   14.8753   6.79361   11.7858   0.49707   98.7446
 56  1    59.3838   2.27920   2330.00   150.000   12.2963   0.00797   44.0518   15.3320   6.72693   11.7829   0.51337   64.3947
 57  1    63.7709   1.12560   1300.00   150.000   11.9339   0.00325   54.5390   9.23186   8.20172   11.6537   0.28018   86.1388
 58  1    63.6024   1.17040   1340.00   150.000   11.9447   0.00340   54.2029   9.39949   8.03101   11.6586   0.28617   84.1362
 59  1    63.4838   1.26000   1420.00   150.000   11.9513   0.00291   53.9988   9.48500   7.52778   11.6620   0.28936   99.5735
 60  1    63.4353   1.32720   1480.00   150.000   11.9543   0.00321   53.9060   9.52933   7.18002   11.6634   0.29097   90.5621
 61  1    63.4263   1.40560   1550.00   150.000   11.9587   0.00173   53.7702   9.65613   6.86976   11.6636   0.29511   170.937
 62  1    63.4708   1.49520   1630.00   150.000   11.9641   0.00191   53.6065   9.86431   6.59732   11.6623   0.30172   157.763
 63  1    63.4788   1.55120   1680.00   150.000   11.9715   0.00200   53.3781   10.1007   6.51153   11.6621   0.30939   154.670
 64  1    63.4561   1.64080   1760.00   150.000   11.9934   0.00234   52.7095   10.7466   6.54958   11.6628   0.33066   141.448
 65  1    63.4578   1.71920   1830.00   150.000   12.0151   0.00190   52.0534   11.4044   6.63357   11.6627   0.35241   185.691
 66  1    63.4820   1.79760   1900.00   150.000   12.0372   0.00200   51.3915   12.0904   6.72588   11.6620   0.37519   188.052
 67  1    63.4522   1.88720   1980.00   150.000   12.0589   0.00209   50.7470   12.7052   6.73230   11.6629   0.39603   189.485
 68  1    63.5647   1.97680   2060.00   150.000   12.0863   0.00276   49.9419   13.6228   6.89134   11.6596   0.42664   154.751
 69  1    63.7663   2.11120   2180.00   150.000   12.1088   0.00246   49.2852   14.4811   6.85917   11.6539   0.45498   184.801
 70  1    63.8600   2.22320   2280.00   150.000   12.1322   0.00476   48.6116   15.2484   6.85875   11.6512   0.48101   101.144
 71  1    63.9175   2.32400   2370.00   150.000   12.1588   0.00333   47.8502   16.0672   6.91360   11.6495   0.50931   152.772
 72  1    64.2285   2.38000   2420.00   150.000   12.1796   0.00397   47.2637   16.9648   7.12807   11.6406   0.53893   135.735
 73  1    64.2644   2.48080   2510.00   150.000   12.2196   0.00305   46.1463   18.1181   7.30332   11.6396   0.57993   190.063
 74  1    64.1073   2.51440   2540.00   150.000   12.2416   0.00389   45.5366   18.5707   7.38573   11.6441   0.59754   153.586
 75  1    83.7593   1.26000   1420.00   150.000   11.3323   0.00310   75.7592   8.00015   6.34933   11.1395   0.19277   62.2243
 76  1    83.8346   1.33840   1490.00   150.000   11.3411   0.00342   75.4096   8.42502   6.29484   11.1378   0.20330   59.4313
 77  1    83.9210   1.41680   1560.00   150.000   11.3796   0.00341   73.8927   10.0283   7.07814   11.1358   0.24382   71.5713
 78  1    84.2479   1.55120   1680.00   150.000   11.3835   0.00317   73.7429   10.5050   6.77220   11.1283   0.25520   80.5707
 79  1    84.3992   1.61840   1740.00   150.000   11.3960   0.00245   73.2536   11.1456   6.88683   11.1248   0.27126   110.607
 80  1    84.4442   1.69680   1810.00   150.000   11.4172   0.00298   72.4374   12.0068   7.07615   11.1237   0.29342   98.3732
 81  1    84.4649   1.77520   1880.00   150.000   11.4407   0.00254   71.5346   12.9303   7.28386   11.1233   0.31749   124.833
 82  1    84.4635   1.86480   1960.00   150.000   11.4700   0.00311   70.4289   14.0346   7.52607   11.1233   0.34666   111.423
 83  1    84.4695   1.97680   2060.00   150.000   11.4938   0.00347   69.5372   14.9323   7.55376   11.1232   0.37062   106.676
 84  1    84.3718   2.10000   2170.00   150.000   11.5203   0.00710   68.5532   15.8186   7.53268   11.1254   0.39493   55.6555
 85  1    84.3526   2.17840   2240.00   150.000   11.5095   0.00636   68.9525   15.4001   7.06945   11.1258   0.38367   60.3475
 86  1    84.3375   2.27920   2330.00   150.000   11.5130   0.00536   68.8250   15.5125   6.80609   11.1262   0.38678   72.1068
 87  1    84.6732   2.40240   2440.00   150.000   11.5496   0.00623   67.4807   17.1925   7.15638   11.1185   0.43114   69.2028
 88  1    84.6227   2.48080   2510.00   150.000   11.5596   0.00717   67.1196   17.5031   7.05542   11.1196   0.43992   61.3136
 89  1    92.4086   1.47280   1610.00   150.000   11.2253   0.00678   80.1178   12.2908   8.34521   10.9474   0.27794   40.9682
 90  1    92.4186   1.69680   1810.00   150.000   11.2230   0.00358   80.2166   12.2020   7.19120   10.9472   0.27578   77.0804
 91  1    92.8268   1.80880   1910.00   150.000   11.2114   0.00237   80.6998   12.1270   6.70444   10.9385   0.27291   115.212
 92  1    92.8125   1.57360   1700.00   150.000   11.1689   0.00178   82.4972   10.3153   6.55521   10.9388   0.23011   129.192
 93  1    92.7971   1.46160   1600.00   150.000   11.1518   0.00176   83.2311   9.56596   6.54485   10.9391   0.21265   121.038
 94  1    93.0799   1.75280   1860.00   150.000   11.1819   0.00201   81.9437   11.1362   6.35339   10.9331   0.24879   123.722
 95  1    93.2651   1.84240   1940.00   150.000   11.1915   0.00212   81.5372   11.7279   6.36555   10.9292   0.26231   123.727
 96  1    93.4954   1.95440   2040.00   150.000   11.2112   0.00321   80.7076   12.7878   6.54311   10.9243   0.28689   89.4951
 97  1    93.6135   2.04400   2120.00   150.000   11.2305   0.00254   79.9043   13.7093   6.70708   10.9219   0.30863   121.422
 98  1    93.7267   2.16720   2230.00   150.000   11.2545   0.00216   78.9086   14.8181   6.83746   10.9195   0.33508   155.132
 99  1    94.0063   2.34640   2390.00   150.000   11.2763   0.00251   78.0191   15.9872   6.81350   10.9136   0.36267   144.414
100  1    94.0082   2.44720   2480.00   150.000   11.3218   0.00372   76.1781   17.8301   7.28592   10.9135   0.40827   109.770
<-------------------------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    94.2592   2.52560   2550.00   150.000   11.3218   0.00436   76.1806   18.0785   7.15812   10.9083   0.41348   94.9188
102  1    108.263   1.60720   1730.00   150.000   10.7924   0.00317   99.9227   8.34029   5.18933   10.6317   0.16070   50.7461
103  1    108.554   1.68560   1800.00   150.000   10.7941   0.00283   99.8409   8.71311   5.16915   10.6263   0.16774   59.2140
104  1    109.100   1.87600   1970.00   150.000   10.8122   0.00211   98.9349   10.1650   5.41843   10.6162   0.19601   93.0224
105  1    109.347   1.61840   1740.00   150.000   10.7958   0.00192   99.7544   9.59270   5.92727   10.6116   0.18414   95.9697
106  1    109.266   1.49520   1630.00   150.000   10.7874   0.00176   100.174   9.09167   6.08057   10.6131   0.17427   99.2198
107  1    109.210   1.39440   1540.00   150.000   10.7763   0.00180   100.732   8.47804   6.08006   10.6142   0.16216   90.1139
108  1    109.146   1.28240   1440.00   150.000   10.7660   0.00176   101.253   7.89342   6.15519   10.6153   0.15069   85.5049
109  1    109.052   1.17040   1340.00   150.000   10.7582   0.00195   101.651   7.40081   6.32332   10.6171   0.14110   72.4883
110  1    109.097   1.17040   1340.00   150.000   10.7565   0.00201   101.738   7.35918   6.28774   10.6163   0.14023   69.6149
111  1    109.504   1.57360   1700.00   150.000   10.7856   0.00200   100.267   9.23740   5.87023   10.6087   0.17682   88.5911
112  1    109.609   1.68560   1800.00   150.000   10.7949   0.00190   99.7967   9.81210   5.82113   10.6068   0.18812   99.0662
113  1    109.780   1.74160   1850.00   150.000   10.7970   0.00186   99.6939   10.0861   5.79128   10.6037   0.19333   103.974
114  1    109.961   1.89840   1990.00   150.000   10.8106   0.00205   99.0166   10.9442   5.76495   10.6003   0.21023   102.404
115  1    110.057   1.98800   2070.00   150.000   10.8249   0.00238   98.3076   11.7492   5.91006   10.5986   0.22629   94.9715
116  1    110.219   2.08880   2160.00   150.000   10.8502   0.00258   97.0641   13.1552   6.29796   10.5956   0.25457   98.7739
117  1    110.303   2.18960   2250.00   150.000   10.8687   0.00300   96.1624   14.1403   6.45793   10.5941   0.27461   91.3925
118  1    110.562   2.26800   2320.00   150.000   10.8740   0.00369   95.9064   14.6556   6.46189   10.5893   0.28464   77.1918
119  1    110.756   2.36880   2410.00   150.000   10.8899   0.00549   95.1378   15.6181   6.59328   10.5858   0.30412   55.4178
120  1    110.707   2.49200   2520.00   150.000   10.9344   0.00455   93.0202   17.6864   7.09729   10.5867   0.34771   76.3364
121  1    110.928   2.57040   2590.00   150.000   10.9509   0.00494   92.2431   18.6853   7.26941   10.5827   0.36829   74.5559
122  1    115.855   1.70800   1820.00   150.000   10.6053   0.00627   109.689   6.16553   3.60980   10.4946   0.11070   17.6666
123  1    116.306   1.71920   1830.00   150.000   10.5870   0.00644   110.690   5.61537   3.26627   10.4867   0.10024   15.5726
124  1    116.740   1.90960   2000.00   150.000   10.6021   0.00547   109.863   6.87753   3.60155   10.4792   0.12297   22.4722
125  1    117.407   1.97680   2060.00   150.000   10.6257   0.00423   108.589   8.81801   4.46075   10.4676   0.15807   37.3359
126  1    117.832   2.13360   2200.00   150.000   10.6405   0.00487   107.790   10.0421   4.70665   10.4602   0.18030   37.0369
127  1    118.498   2.30160   2350.00   150.000   10.6947   0.00651   104.924   13.5740   5.89764   10.4488   0.24594   37.7862
128  1    118.847   2.39120   2430.00   150.000   10.6960   0.00459   104.856   13.9911   5.85109   10.4428   0.25323   55.1228
129  1    118.550   1.90960   2000.00   150.000   10.6173   0.00962   109.043   9.50729   4.97868   10.4479   0.16937   17.6001
130  1    118.524   1.79760   1900.00   150.000   10.6006   0.00661   109.946   8.57832   4.77210   10.4483   0.15229   23.0234
131  1    118.494   1.68560   1800.00   150.000   10.5952   0.00854   110.239   8.25516   4.89746   10.4489   0.14640   17.1339
132  1    118.350   1.57360   1700.00   150.000   10.5937   0.00797   110.323   8.02681   5.10092   10.4513   0.14238   17.8724
133  1    118.373   1.46160   1600.00   150.000   10.5816   0.00963   110.988   7.38430   5.05220   10.4509   0.13062   13.5693
134  1    118.240   1.23760   1400.00   150.000   10.5806   0.00776   111.044   7.19661   5.81497   10.4532   0.12734   16.4077
135  1    128.752   1.15920   1330.00   150.000   10.4041   0.00358   121.128   7.62427   6.57718   10.2792   0.12485   34.8397
136  1    129.081   1.33840   1490.00   150.000   10.4082   0.00403   120.879   8.20164   6.12794   10.2740   0.13427   33.2779
137  1    129.340   1.52880   1660.00   150.000   10.4126   0.00374   120.623   8.71752   5.70220   10.2699   0.14272   38.1236
138  1    129.907   1.67440   1790.00   150.000   10.4085   0.00548   120.863   9.04481   5.40182   10.2609   0.14765   26.9354
139  1    130.211   1.82000   1920.00   150.000   10.4056   0.00417   121.034   9.17714   5.04238   10.2561   0.14955   35.8242
140  1    130.971   2.02160   2100.00   150.000   10.4077   0.00481   120.911   10.0597   4.97609   10.2441   0.16357   34.0349
141  1    131.695   2.17840   2240.00   150.000   10.4277   0.00481   119.731   11.9643   5.49225   10.2328   0.19489   40.4909
142  1    132.596   2.40240   2440.00   150.000   10.4588   0.00461   117.915   14.6808   6.11090   10.2188   0.24001   52.0719
143  1    148.509   1.20400   1370.00   150.000   10.0719   0.00428   142.391   6.11748   5.08096   9.98489   0.08702   20.3227
144  1    148.906   1.42800   1570.00   150.000   10.0723   0.00384   142.367   6.53925   4.57930   9.97935   0.09291   24.1848
145  1    149.347   1.60720   1730.00   150.000   10.0751   0.00383   142.170   7.17712   4.46561   9.97322   0.10190   26.6272
146  1    149.948   1.79760   1900.00   150.000   10.0741   0.00659   142.239   7.70898   4.28849   9.96490   0.10922   16.5683
147  1    68.9000   0.40000   300.000   0.00000   11.5490   0.00452   67.5046   1.39540   3.48850   11.5109   0.03802   8.41807
148  1    84.8000   0.40000   300.000   0.00000   11.0747   0.00452   86.5989   -1.7989   4.49717   11.1156   -0.0409   9.04602
149  1    101.100   0.20000   300.000   0.00000   10.7345   0.00452   102.864   -1.7639   8.81927   10.7690   -0.0346   7.65645
150  1    70.3000   0.10000   300.000   0.00000   11.4752   0.00301   70.2323   0.06767   0.67673   11.4734   0.00180   0.59797
151  1    39.0000   0.10000   300.000   0.00000   12.4839   0.00452   39.1892   -0.1892   1.89194   12.4915   -0.0076   1.68053
152  1    44.3000   0.10000   300.000   0.00000   12.3062   0.00452   43.7836   0.51638   5.16384   12.2870   0.01921   4.25232
153  1    112.300   0.50000   300.000   0.00000   10.5297   0.00903   113.869   -1.5687   3.13742   10.5578   -0.0281   3.10958
154  1    130.600   0.50000   300.000   0.00000   10.2753   0.00903   128.999   1.60085   3.20169   10.2500   0.02531   2.80205
155  1    148.500   0.60000   300.000   0.00000   10.0103   0.00753   146.697   1.80347   3.00578   9.98501   0.02530   3.36068
156  1    170.500   0.60000   300.000   0.00000   9.74232   0.00753   166.905   3.59485   5.99141   9.69794   0.04438   5.89586
157  1    185.500   0.60000   300.000   0.00000   9.47283   0.00753   189.930   -4.4299   7.38317   9.52209   -0.0493   6.54450
158  1    198.200   0.60000   300.000   0.00000   9.37948   0.00753   198.613   -0.4132   0.68871   9.38383   -0.0043   0.57783
159  1    214.500   0.60000   300.000   0.00000   9.23043   0.00753   213.309   1.19115   1.98524   9.21881   0.01162   1.54421

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

 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved:  3-OCT-2026 at 13:28
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  14.9(4)           :Reference pressure volume: units are cm^3/mol
      K0:  149(34)           :Bulk modulus: units are GPa
      Kp:  4.5(5)            :dK/dP: dimensionless
     Kpp: -0.0315            :d2K/dP2: units are inverse GPa [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:

    Reference temperature ( 298.0K):300

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

    Reference pressure volume: units are cm^3/mol:
                    VALUE OF V0    (    14.894):
    Debye temperature in K:
                    VALUE OF ThMGD (   298.000):417
    Number of atoms per formula unit:
                    VALUE OF Natom (     1.000):2

*****INFORMATION*****

    Gamma0 is a refineable parameter in the thermal-pressure model, q is not defined for q-compromise

    Gruneisen parameter at Tref,Pref:
                    VALUE OF Gamm0 (     1.000):2.42

*****The results of the thermal pressure model depend on the EoS parameters
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved:  3-OCT-2026 at 13:28
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  14.8943           :Reference pressure volume: units are cm^3/mol
      K0:  148.573           :Bulk modulus: units are GPa
      Kp:  4.52367           :dK/dP: dimensionless
     Kpp: -0.0315            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
           with q-compromise
 
   Temperature of reference:   300.00 K
 
   ThMGD:  417.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.42000           :Gruneisen parameter at Tref,Pref
 
  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/fes-eosfit7c-staged-q-compromise/unit/thermal-initial.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved:  3-OCT-2026 at 13:28
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  14.8943           :Reference pressure volume: units are cm^3/mol
      K0:  148.573           :Bulk modulus: units are GPa
      Kp:  4.52367           :dK/dP: dimensionless
     Kpp: -0.0315            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
           with q-compromise
 
   Temperature of reference:   300.00 K
 
   ThMGD:  417.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.42000           :Gruneisen parameter at Tref,Pref
 
  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/fes-eosfit7c-staged-q-compromise/unit/thermal-initial.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/fes-eosfit7c-staged-q-compromise/unit/thermal-initial.eos


EOSFIT-7.6>list

           The title on the data file is:  FeS audit combined unchanged observations
           The calculated values are from:

  THE 159 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    29.5964   1.29360   1450.00   150.000   13.6915   0.00301   24.2817   5.31476   4.10850   13.3721   0.31940   106.188
  2  1    29.6173   1.38320   1530.00   150.000   13.7501   0.00330   24.0214   5.59586   4.04559   13.4077   0.34234   103.755
  3  1    29.6810   1.47280   1610.00   150.000   13.7997   0.00363   23.9149   5.76619   3.91512   13.4414   0.35836   98.8094
  4  1    29.9049   1.58480   1710.00   150.000   13.8950   0.00426   23.3169   6.58801   4.15700   13.4755   0.41950   98.5473
  5  1    33.1277   1.09200   1270.00   150.000   13.3755   0.00163   28.0857   5.04204   4.61725   13.1044   0.27104   166.690
  6  1    33.2312   1.18160   1350.00   150.000   13.4022   0.00199   28.2608   4.97039   4.20649   13.1322   0.27000   135.504
  7  1    33.4179   1.31600   1470.00   150.000   13.4598   0.00519   28.2345   5.18339   3.93875   13.1729   0.28691   55.2715
  8  1    33.4179   1.31600   1470.00   150.000   13.4598   0.00519   28.2345   5.18339   3.93875   13.1729   0.28691   55.2715
  9  1    41.6518   1.03600   1220.00   150.000   12.8114   0.00274   38.8044   2.84739   2.74845   12.6848   0.12654   46.1110
 10  1    41.7693   1.15920   1330.00   150.000   12.8353   0.00263   39.1692   2.60018   2.24308   12.7184   0.11686   44.4970
 11  1    41.6736   1.26000   1420.00   150.000   12.8651   0.00241   39.2500   2.42364   1.92352   12.7548   0.11035   45.8110
 12  1    41.9291   1.36080   1510.00   150.000   12.9205   0.00185   38.7992   3.12990   2.30004   12.7758   0.14463   78.0306
 13  1    41.8033   1.43920   1580.00   150.000   12.9557   0.00343   38.6281   3.17520   2.20622   12.8071   0.14863   43.3201
 14  1    41.9176   1.50640   1640.00   150.000   12.9755   0.00226   38.7028   3.21478   2.13408   12.8240   0.15157   67.1305
 15  1    42.1986   1.62960   1750.00   150.000   13.0099   0.00374   38.8880   3.31055   2.03151   12.8520   0.15798   42.2901
 16  1    42.6556   1.78640   1890.00   150.000   13.0421   0.00396   39.3702   3.28540   1.83912   12.8834   0.15873   40.1023
 17  1    45.1681   1.06960   1250.00   150.000   12.6352   0.00424   43.0499   2.11819   1.98036   12.5467   0.08851   20.8865
 18  1    44.9994   1.17040   1340.00   150.000   12.6738   0.00406   42.8749   2.12447   1.81517   12.5837   0.09010   22.1906
 19  1    44.9909   1.24880   1410.00   150.000   12.6940   0.00419   42.9720   2.01888   1.61665   12.6077   0.08637   20.6280
 20  1    44.9010   1.38320   1530.00   150.000   12.7795   0.00235   42.0093   2.89167   2.09057   12.6526   0.12691   53.9580
 21  1    44.8590   1.52880   1660.00   150.000   12.8028   0.00322   42.5438   2.31518   1.51438   12.6998   0.10302   32.0219
 22  1    44.9072   1.64080   1760.00   150.000   12.8582   0.00294   42.1455   2.76169   1.68314   12.7331   0.12504   42.4987
 23  1    44.9390   1.74160   1850.00   150.000   12.9173   0.00362   41.6126   3.32645   1.91000   12.7641   0.15327   42.3614
 24  1    45.0022   1.84240   1940.00   150.000   12.9427   0.00392   41.8093   3.19286   1.73299   12.7940   0.14870   37.8962
 25  1    45.0678   1.90960   2000.00   150.000   12.9834   0.00433   41.4515   3.61627   1.89373   12.8130   0.17039   39.3324
 26  1    45.1985   2.02160   2100.00   150.000   13.0166   0.00520   41.5836   3.61493   1.78815   12.8441   0.17246   33.1782
 27  1    45.2392   2.12240   2190.00   150.000   13.1062   0.00466   40.5258   4.71345   2.22081   12.8760   0.23020   49.3535
 28  1    45.3343   2.23440   2290.00   150.000   13.1220   0.00493   41.0271   4.30724   1.92770   12.9096   0.21240   43.1000
 29  1    54.1843   1.03600   1220.00   150.000   12.2175   0.00381   53.4866   0.69775   0.67350   12.1925   0.02502   6.55889
 30  1    54.2740   1.08080   1260.00   150.000   12.2301   0.00219   53.4624   0.81160   0.75092   12.2008   0.02922   13.3290
 31  1    54.2970   1.17040   1340.00   150.000   12.2500   0.00200   53.5596   0.73738   0.63002   12.2232   0.02678   13.4061
 32  1    54.2284   1.27120   1430.00   150.000   12.2737   0.00174   53.6381   0.59038   0.46443   12.2521   0.02166   12.4184
 33  1    54.1407   1.32720   1480.00   150.000   12.3063   0.00205   53.1652   0.97553   0.73503   12.2701   0.03616   17.6321
 34  1    54.1687   1.43920   1580.00   150.000   12.3363   0.00247   53.1722   0.99651   0.69240   12.2989   0.03737   15.1408
 35  1    54.2215   1.55120   1680.00   150.000   12.3764   0.00333   52.9288   1.29263   0.83331   12.3272   0.04914   14.7712
 36  1    54.2202   1.62960   1750.00   150.000   12.4062   0.00459   52.7215   1.49870   0.91967   12.3486   0.05756   12.5358
 37  1    54.2211   1.69680   1810.00   150.000   12.4249   0.00480   52.7268   1.49430   0.88066   12.3671   0.05781   12.0436
 38  1    54.2430   1.77520   1880.00   150.000   12.4580   0.00387   52.4517   1.79132   1.00908   12.3880   0.07005   18.0838
 39  1    54.2302   1.84240   1940.00   150.000   12.4695   0.00403   52.6493   1.58086   0.85804   12.4073   0.06220   15.4454
 40  1    54.2358   1.93200   2020.00   150.000   12.4931   0.00415   52.7063   1.52950   0.79167   12.4323   0.06076   14.6292
 41  1    54.2892   2.04400   2120.00   150.000   12.5415   0.00433   52.3227   1.96657   0.96212   12.4621   0.07934   18.3023
 42  1    54.2243   2.13360   2200.00   150.000   12.5877   0.00492   51.8517   2.37261   1.11202   12.4906   0.09714   19.7372
 43  1    57.9981   1.12560   1300.00   150.000   12.0885   0.00309   57.8079   0.19020   0.16898   12.0820   0.00650   2.10368
 44  1    58.0563   1.24880   1410.00   150.000   12.1192   0.00340   57.8025   0.25387   0.20329   12.1104   0.00878   2.58555
 45  1    58.0852   1.30480   1460.00   150.000   12.1072   0.00322   58.5525   -0.4673   0.35816   12.1234   -0.0162   5.02260
 46  1    58.1264   1.37200   1520.00   150.000   12.1205   0.00278   58.6521   -0.5257   0.38315   12.1388   -0.0183   6.57583
 47  1    58.2363   1.49520   1630.00   150.000   12.1345   0.00286   59.1374   -0.9011   0.60269   12.1661   -0.0316   11.0397
 48  1    58.3077   1.57360   1700.00   150.000   12.1414   0.00286   59.5050   -1.1974   0.76090   12.1837   -0.0422   14.7833
 49  1    58.5404   1.65200   1770.00   150.000   12.1618   0.00263   59.4901   -0.9497   0.57489   12.1955   -0.0337   12.7918
 50  1    58.6663   1.74160   1850.00   150.000   12.2158   0.00254   58.6222   0.04408   0.02531   12.2142   0.00159   0.62422
<-------------------------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    58.8002   1.83120   1930.00   150.000   12.2296   0.00340   58.8864   -0.0862   0.04710   12.2327   -0.0031   0.91900
 52  1    58.8179   1.92080   2010.00   150.000   12.2413   0.00282   59.2111   -0.3932   0.20468   12.2556   -0.0143   5.08077
 53  1    58.9342   1.98800   2070.00   150.000   12.2520   0.00379   59.4017   -0.4675   0.23517   12.2692   -0.0171   4.52198
 54  1    59.1212   2.11120   2180.00   150.000   12.2584   0.00401   60.1166   -0.9953   0.47145   12.2952   -0.0367   9.15458
 55  1    59.2891   2.18960   2250.00   150.000   12.2828   0.00503   60.0203   -0.7312   0.33395   12.3100   -0.0272   5.40195
 56  1    59.3838   2.27920   2330.00   150.000   12.2963   0.00797   60.3056   -0.9218   0.40445   12.3308   -0.0345   4.32959
 57  1    63.7709   1.12560   1300.00   150.000   11.9339   0.00325   62.4686   1.30233   1.15701   11.8924   0.04152   12.7637
 58  1    63.6024   1.17040   1340.00   150.000   11.9447   0.00340   62.4550   1.14737   0.98032   11.9080   0.03677   10.8110
 59  1    63.4838   1.26000   1420.00   150.000   11.9513   0.00291   62.8964   0.58742   0.46621   11.9324   0.01894   6.51895
 60  1    63.4353   1.32720   1480.00   150.000   11.9543   0.00321   63.2878   0.14746   0.11110   11.9496   0.00478   1.48621
 61  1    63.4263   1.40560   1550.00   150.000   11.9587   0.00173   63.7173   -0.2910   0.20699   11.9682   -0.0095   5.48251
 62  1    63.4708   1.49520   1630.00   150.000   11.9641   0.00191   64.1997   -0.7290   0.48753   11.9879   -0.0238   12.4635
 63  1    63.4788   1.55120   1680.00   150.000   11.9715   0.00200   64.3753   -0.8965   0.57797   12.0009   -0.0294   14.7161
 64  1    63.4561   1.64080   1760.00   150.000   11.9934   0.00234   64.3533   -0.8972   0.54679   12.0232   -0.0297   12.7145
 65  1    63.4578   1.71920   1830.00   150.000   12.0151   0.00190   64.2630   -0.8051   0.46832   12.0420   -0.0269   14.1703
 66  1    63.4820   1.79760   1900.00   150.000   12.0372   0.00200   64.1670   -0.6851   0.38110   12.0603   -0.0231   11.5614
 67  1    63.4522   1.88720   1980.00   150.000   12.0589   0.00209   64.1694   -0.7172   0.38004   12.0833   -0.0244   11.6606
 68  1    63.5647   1.97680   2060.00   150.000   12.0863   0.00276   64.0113   -0.4466   0.22594   12.1016   -0.0153   5.55542
 69  1    63.7663   2.11120   2180.00   150.000   12.1088   0.00246   64.3254   -0.5591   0.26482   12.1282   -0.0194   7.86532
 70  1    63.8600   2.22320   2280.00   150.000   12.1322   0.00476   64.4608   -0.6009   0.27028   12.1532   -0.0210   4.41811
 71  1    63.9175   2.32400   2370.00   150.000   12.1588   0.00333   64.4278   -0.5103   0.21959   12.1769   -0.0180   5.40799
 72  1    64.2285   2.38000   2420.00   150.000   12.1796   0.00397   64.2459   -0.0174   0.00730   12.1802  -0.00062   0.15492
 73  1    64.2644   2.48080   2510.00   150.000   12.2196   0.00305   63.8569   0.40748   0.16425   12.2049   0.01465   4.80204
 74  1    64.1073   2.51440   2540.00   150.000   12.2416   0.00389   63.4900   0.61728   0.24550   12.2193   0.02236   5.74669
 75  1    83.7593   1.26000   1420.00   150.000   11.3323   0.00310   84.6568   -0.8974   0.71224   11.3549   -0.0226   7.30474
 76  1    83.8346   1.33840   1490.00   150.000   11.3411   0.00342   84.8722   -1.0376   0.77524   11.3674   -0.0263   7.68264
 77  1    83.9210   1.41680   1560.00   150.000   11.3796   0.00341   83.9205   0.00047   0.00033   11.3796   0.00001   0.00280
 78  1    84.2479   1.55120   1680.00   150.000   11.3835   0.00317   84.7401   -0.4922   0.31729   11.3961   -0.0127   3.99432
 79  1    84.3992   1.61840   1740.00   150.000   11.3960   0.00245   84.7357   -0.3364   0.20789   11.4047   -0.0087   3.54257
 80  1    84.4442   1.69680   1810.00   150.000   11.4172   0.00298   84.4853   -0.0411   0.02420   11.4182   -0.0011   0.35842
 81  1    84.4649   1.77520   1880.00   150.000   11.4407   0.00254   84.1484   0.31651   0.17830   11.4325   0.00830   3.26231
 82  1    84.4635   1.86480   1960.00   150.000   11.4700   0.00311   83.6896   0.77393   0.41502   11.4495   0.02048   6.58324
 83  1    84.4695   1.97680   2060.00   150.000   11.4938   0.00347   83.6066   0.86283   0.43648   11.4707   0.02305   6.63438
 84  1    84.3718   2.10000   2170.00   150.000   11.5203   0.00710   83.5124   0.85936   0.40922   11.4971   0.02321   3.27119
 85  1    84.3526   2.17840   2240.00   150.000   11.5095   0.00636   84.4781   -0.1255   0.05762   11.5129   -0.0034   0.53416
 86  1    84.3375   2.27920   2330.00   150.000   11.5130   0.00536   85.0789   -0.7414   0.32529   11.5331   -0.0201   3.75518
 87  1    84.6732   2.40240   2440.00   150.000   11.5496   0.00623   84.6248   0.04845   0.02017   11.5483   0.00133   0.21354
 88  1    84.6227   2.48080   2510.00   150.000   11.5596   0.00717   84.8302   -0.2075   0.08364   11.5653   -0.0057   0.79857
 89  1    92.4086   1.47280   1610.00   150.000   11.2253   0.00678   90.5495   1.85913   1.26231   11.1812   0.04420   6.51479
 90  1    92.4186   1.69680   1810.00   150.000   11.2230   0.00358   92.2645   0.15415   0.09085   11.2193   0.00369   1.03208
 91  1    92.8268   1.80880   1910.00   150.000   11.2114   0.00237   93.5561   -0.7294   0.40323   11.2289   -0.0175   7.37239
 92  1    92.8125   1.57360   1700.00   150.000   11.1689   0.00178   93.6561   -0.8436   0.53606   11.1888   -0.0198   11.1437
 93  1    92.7971   1.46160   1600.00   150.000   11.1518   0.00176   93.5820   -0.7850   0.53706   11.1701   -0.0183   10.4341
 94  1    93.0799   1.75280   1860.00   150.000   11.1819   0.00201   94.3958   -1.3159   0.75073   11.2131   -0.0312   15.5198
 95  1    93.2651   1.84240   1940.00   150.000   11.1915   0.00212   94.6362   -1.3710   0.74416   11.2242   -0.0327   15.4042
 96  1    93.4954   1.95440   2040.00   150.000   11.2112   0.00321   94.6152   -1.1198   0.57297   11.2381   -0.0269   8.38010
 97  1    93.6135   2.04400   2120.00   150.000   11.2305   0.00254   94.4591   -0.8455   0.41365   11.2509   -0.0204   8.03380
 98  1    93.7267   2.16720   2230.00   150.000   11.2545   0.00216   94.3533   -0.6266   0.28911   11.2698   -0.0153   7.06974
 99  1    94.0063   2.34640   2390.00   150.000   11.2763   0.00251   94.7585   -0.7522   0.32057   11.2948   -0.0185   7.37057
100  1    94.0082   2.44720   2480.00   150.000   11.3218   0.00372   93.6459   0.36231   0.14805   11.3128   0.00904   2.42973
<-------------------------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    94.2592   2.52560   2550.00   150.000   11.3218   0.00436   94.2150   0.04419   0.01750   11.3206   0.00110   0.25330
102  1    108.263   1.60720   1730.00   150.000   10.7924   0.00317   111.324   -3.0610   1.90454   10.8543   -0.0619   19.5460
103  1    108.554   1.68560   1800.00   150.000   10.7941   0.00283   111.808   -3.2539   1.93043   10.8600   -0.0659   23.2641
104  1    109.100   1.87600   1970.00   150.000   10.8122   0.00211   112.276   -3.1766   1.69326   10.8770   -0.0648   30.7649
105  1    109.347   1.61840   1740.00   150.000   10.7958   0.00192   111.236   -1.8894   1.16745   10.8338   -0.0381   19.8383
106  1    109.266   1.49520   1630.00   150.000   10.7874   0.00176   110.767   -1.5016   1.00427   10.8175   -0.0301   17.1322
107  1    109.210   1.39440   1540.00   150.000   10.7763   0.00180   110.599   -1.3883   0.99561   10.8040   -0.0277   15.3779
108  1    109.146   1.28240   1440.00   150.000   10.7660   0.00176   110.312   -1.1656   0.90890   10.7891   -0.0231   13.1116
109  1    109.052   1.17040   1340.00   150.000   10.7582   0.00195   109.903   -0.8513   0.72737   10.7750   -0.0168   8.62994
110  1    109.097   1.17040   1340.00   150.000   10.7565   0.00201   109.990   -0.8929   0.76294   10.7741   -0.0176   8.74223
111  1    109.504   1.57360   1700.00   150.000   10.7856   0.00200   111.426   -1.9214   1.22105   10.8241   -0.0385   19.3120
112  1    109.609   1.68560   1800.00   150.000   10.7949   0.00190   111.764   -2.1549   1.27844   10.8384   -0.0435   22.8812
113  1    109.780   1.74160   1850.00   150.000   10.7970   0.00186   112.065   -2.2851   1.31210   10.8431   -0.0461   24.8173
114  1    109.961   1.89840   1990.00   150.000   10.8106   0.00205   112.520   -2.5591   1.34803   10.8626   -0.0520   25.3511
115  1    110.057   1.98800   2070.00   150.000   10.8249   0.00238   112.458   -2.4011   1.20780   10.8740   -0.0491   20.6078
116  1    110.219   2.08880   2160.00   150.000   10.8502   0.00258   111.942   -1.7232   0.82496   10.8857   -0.0355   13.7821
117  1    110.303   2.18960   2250.00   150.000   10.8687   0.00300   111.769   -1.4662   0.66963   10.8991   -0.0304   10.1275
118  1    110.562   2.26800   2320.00   150.000   10.8740   0.00369   112.079   -1.5174   0.66903   10.9056   -0.0316   8.56291
119  1    110.756   2.36880   2410.00   150.000   10.8899   0.00549   112.039   -1.2831   0.54167   10.9168   -0.0269   4.89314
120  1    110.707   2.49200   2520.00   150.000   10.9344   0.00455   110.812   -0.1051   0.04217   10.9366   -0.0022   0.48993
121  1    110.928   2.57040   2590.00   150.000   10.9509   0.00494   110.601   0.32716   0.12728   10.9440   0.00698   1.41280
122  1    115.855   1.70800   1820.00   150.000   10.6053   0.00627   121.818   -5.9632   3.49133   10.7177   -0.1124   17.9403
123  1    116.306   1.71920   1830.00   150.000   10.5870   0.00644   122.900   -6.5942   3.83561   10.7106   -0.1236   19.2035
124  1    116.740   1.90960   2000.00   150.000   10.6021   0.00547   123.447   -6.7066   3.51206   10.7288   -0.1266   23.1421
125  1    117.407   1.97680   2060.00   150.000   10.6257   0.00423   122.658   -5.2514   2.65653   10.7253   -0.0996   23.5252
126  1    117.832   2.13360   2200.00   150.000   10.6405   0.00487   122.992   -5.1599   2.41839   10.7390   -0.0985   20.2281
127  1    118.498   2.30160   2350.00   150.000   10.6947   0.00651   121.340   -2.8417   1.23465   10.7497   -0.0550   8.45107
128  1    118.847   2.39120   2430.00   150.000   10.6960   0.00459   121.919   -3.0720   1.28470   10.7556   -0.0596   12.9642
129  1    118.550   1.90960   2000.00   150.000   10.6173   0.00962   122.627   -4.0769   2.13493   10.6939   -0.0767   7.96607
130  1    118.524   1.79760   1900.00   150.000   10.6006   0.00661   122.721   -4.1972   2.33488   10.6790   -0.0784   11.8500
131  1    118.494   1.68560   1800.00   150.000   10.5952   0.00854   122.206   -3.7119   2.20212   10.6643   -0.0690   8.07715
132  1    118.350   1.57360   1700.00   150.000   10.5937   0.00797   121.482   -3.1320   1.99036   10.6518   -0.0581   7.28775
133  1    118.373   1.46160   1600.00   150.000   10.5816   0.00963   121.339   -2.9666   2.02971   10.6362   -0.0547   5.67791
134  1    118.240   1.23760   1400.00   150.000   10.5806   0.00776   119.780   -1.5396   1.24400   10.6087   -0.0282   3.63221
135  1    128.752   1.15920   1330.00   150.000   10.4041   0.00358   129.299   -0.5472   0.47205   10.4133   -0.0092   2.57664
136  1    129.081   1.33840   1490.00   150.000   10.4082   0.00403   130.342   -1.2610   0.94215   10.4296   -0.0214   5.29680
137  1    129.340   1.52880   1660.00   150.000   10.4126   0.00374   131.459   -2.1181   1.38548   10.4487   -0.0361   9.63917
138  1    129.907   1.67440   1790.00   150.000   10.4085   0.00548   132.749   -2.8414   1.69698   10.4570   -0.0485   8.83958
139  1    130.211   1.82000   1920.00   150.000   10.4056   0.00417   133.971   -3.7601   2.06597   10.4699   -0.0643   15.3936
140  1    130.971   2.02160   2100.00   150.000   10.4077   0.00481   135.304   -4.3333   2.14351   10.4820   -0.0743   15.4581
141  1    131.695   2.17840   2240.00   150.000   10.4277   0.00481   135.257   -3.5613   1.63481   10.4891   -0.0614   12.7605
142  1    132.596   2.40240   2440.00   150.000   10.4588   0.00461   135.059   -2.4632   1.02532   10.5017   -0.0429   9.30610
143  1    148.509   1.20400   1370.00   150.000   10.0719   0.00428   150.885   -2.3766   1.97396   10.1067   -0.0348   8.11630
144  1    148.906   1.42800   1570.00   150.000   10.0723   0.00384   152.475   -3.5694   2.49956   10.1247   -0.0524   13.6434
145  1    149.347   1.60720   1730.00   150.000   10.0751   0.00383   153.571   -4.2242   2.62827   10.1374   -0.0623   16.2668
146  1    149.948   1.79760   1900.00   150.000   10.0741   0.00659   155.015   -5.0665   2.81849   10.1490   -0.0748   11.3539
147  1    68.9000   0.40000   300.000   0.00000   11.5490   0.00452   67.5046   1.39540   3.48850   11.5109   0.03802   8.41807
148  1    84.8000   0.40000   300.000   0.00000   11.0747   0.00452   86.5989   -1.7989   4.49717   11.1156   -0.0409   9.04602
149  1    101.100   0.20000   300.000   0.00000   10.7345   0.00452   102.864   -1.7639   8.81927   10.7690   -0.0346   7.65645
150  1    70.3000   0.10000   300.000   0.00000   11.4752   0.00301   70.2323   0.06767   0.67673   11.4734   0.00180   0.59797
151  1    39.0000   0.10000   300.000   0.00000   12.4839   0.00452   39.1892   -0.1892   1.89194   12.4915   -0.0076   1.68053
152  1    44.3000   0.10000   300.000   0.00000   12.3062   0.00452   43.7836   0.51638   5.16384   12.2870   0.01921   4.25232
153  1    112.300   0.50000   300.000   0.00000   10.5297   0.00903   113.869   -1.5687   3.13742   10.5578   -0.0281   3.10958
154  1    130.600   0.50000   300.000   0.00000   10.2753   0.00903   128.999   1.60085   3.20169   10.2500   0.02531   2.80205
155  1    148.500   0.60000   300.000   0.00000   10.0103   0.00753   146.697   1.80347   3.00578   9.98501   0.02530   3.36068
156  1    170.500   0.60000   300.000   0.00000   9.74232   0.00753   166.905   3.59485   5.99141   9.69794   0.04438   5.89586
157  1    185.500   0.60000   300.000   0.00000   9.47283   0.00753   189.930   -4.4299   7.38317   9.52209   -0.0493   6.54450
158  1    198.200   0.60000   300.000   0.00000   9.37948   0.00753   198.613   -0.4132   0.68871   9.38383   -0.0043   0.57783
159  1    214.500   0.60000   300.000   0.00000   9.23043   0.00753   213.309   1.19115   1.98524   9.21881   0.01162   1.54421

EOSFIT-7.6>fit
     159 data for V will be used in least-squares
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved:  3-OCT-2026 at 13:28
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  14.8943           :Reference pressure volume: units are cm^3/mol
      K0:  148.573           :Bulk modulus: units are GPa
      Kp:  4.52367           :dK/dP: dimensionless
     Kpp: -0.0315            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
           with q-compromise
 
   Temperature of reference:   300.00 K
 
   ThMGD:  417.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.42000           :Gruneisen parameter at Tref,Pref
 
  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

 SELECT WEIGHTING SCHEME:
     SIGMAS FOR P   PRESENT, USE IN WEIGHTS (Y/N)?n
     SIGMAS FOR T   PRESENT, USE IN WEIGHTS (Y/N)?n
     SIGMAS FOR V   PRESENT, USE IN WEIGHTS (Y/N)?n

     EQUATION FITTED WITH UNIT WEIGHTS FOR ALL DATA




   RESULTS FROM CYCLE  1
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        14.89429  [NOT REFINED]
 K0      0       148.57274  [NOT REFINED]
 Kp      0         4.52367  [NOT REFINED]
 Kpp     0        -0.03155  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       417.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.36739         -0.05261          0.04048          -1.30
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED


   RESULTS FROM CYCLE  2
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      0        14.89429  [NOT REFINED]
 K0      0       148.57274  [NOT REFINED]
 Kp      0         4.52367  [NOT REFINED]
 Kpp     0        -0.03155  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       417.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.36739          0.00000          0.04026           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED


***********************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        14.89429  [NOT REFINED]
 K0      0       148.57274  [NOT REFINED]
 Kp      0         4.52367  [NOT REFINED]
 Kpp     0        -0.03155  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       417.00000  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.36739          0.00000          0.04026           0.00
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 300.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED

 INPUT <CR> TO CONTINUE

  THE 159 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    29.5964   1.29360   1450.00   150.000   13.6915   0.00301   24.0830   5.51345   4.26210   13.3609   0.33062   109.917   1.0000000
  2  1    29.6173   1.38320   1530.00   150.000   13.7501   0.00330   23.8087   5.80858   4.19938   13.3956   0.35451   107.445   1.0000000
  3  1    29.6810   1.47280   1610.00   150.000   13.7997   0.00363   23.6881   5.99296   4.06909   13.4282   0.37151   102.433   1.0000000
  4  1    29.9049   1.58480   1710.00   150.000   13.8950   0.00426   23.0726   6.83235   4.31117   13.4612   0.43384   101.916   1.0000000
  5  1    33.1277   1.09200   1270.00   150.000   13.3755   0.00163   27.9186   5.20916   4.77029   13.0959   0.27955   171.927   1.0000000
  6  1    33.2312   1.18160   1350.00   150.000   13.4022   0.00199   28.0797   5.15153   4.35979   13.1229   0.27933   140.187   1.0000000
  7  1    33.4179   1.31600   1470.00   150.000   13.4598   0.00519   28.0324   5.38559   4.09239   13.1623   0.29749   57.3092   1.0000000
  8  1    33.4179   1.31600   1470.00   150.000   13.4598   0.00519   28.0324   5.38559   4.09239   13.1623   0.29749   57.3092   1.0000000
  9  1    41.6518   1.03600   1220.00   150.000   12.8114   0.00274   38.6461   3.00576   2.90131   12.6780   0.13340   48.6092   1.0000000
 10  1    41.7693   1.15920   1330.00   150.000   12.8353   0.00263   38.9915   2.77781   2.39632   12.7106   0.12465   47.4638   1.0000000
 11  1    41.6736   1.26000   1420.00   150.000   12.8651   0.00241   39.0565   2.61707   2.07704   12.7462   0.11895   49.3826   1.0000000
 12  1    41.9291   1.36080   1510.00   150.000   12.9205   0.00185   38.5900   3.33911   2.45379   12.7665   0.15401   83.0935   1.0000000
 13  1    41.8033   1.43920   1580.00   150.000   12.9557   0.00343   38.4066   3.39670   2.36013   12.7970   0.15869   46.2508   1.0000000
 14  1    41.9176   1.50640   1640.00   150.000   12.9755   0.00226   38.4708   3.44682   2.28812   12.8134   0.16217   71.8249   1.0000000
 15  1    42.1986   1.62960   1750.00   150.000   13.0099   0.00374   38.6367   3.56191   2.18576   12.8404   0.16959   45.3980   1.0000000
 16  1    42.6556   1.78640   1890.00   150.000   13.0421   0.00396   39.0943   3.56136   1.99360   12.8705   0.17163   43.3613   1.0000000
 17  1    45.1681   1.06960   1250.00   150.000   12.6352   0.00424   42.8863   2.28180   2.13332   12.5400   0.09522   22.4694   1.0000000
 18  1    44.9994   1.17040   1340.00   150.000   12.6738   0.00406   42.6955   2.30386   1.96844   12.5762   0.09757   24.0287   1.0000000
 19  1    44.9909   1.24880   1410.00   150.000   12.6940   0.00419   42.7803   2.21054   1.77013   12.5996   0.09442   22.5506   1.0000000
 20  1    44.9010   1.38320   1530.00   150.000   12.7795   0.00235   41.7966   3.10440   2.24436   12.6435   0.13600   57.8238   1.0000000
 21  1    44.8590   1.52880   1660.00   150.000   12.8028   0.00322   42.3083   2.55073   1.66845   12.6895   0.11327   35.2086   1.0000000
 22  1    44.9072   1.64080   1760.00   150.000   12.8582   0.00294   41.8924   3.01481   1.83740   12.7220   0.13620   46.2922   1.0000000
 23  1    44.9390   1.74160   1850.00   150.000   12.9173   0.00362   41.3436   3.59539   2.06442   12.7521   0.16527   45.6783   1.0000000
 24  1    45.0022   1.84240   1940.00   150.000   12.9427   0.00392   41.5246   3.47762   1.88755   12.7811   0.16156   41.1717   1.0000000
 25  1    45.0678   1.90960   2000.00   150.000   12.9834   0.00433   41.1562   3.91157   2.04837   12.7996   0.18381   42.4312   1.0000000
 26  1    45.1985   2.02160   2100.00   150.000   13.0166   0.00520   41.2707   3.92781   1.94292   12.8297   0.18686   35.9478   1.0000000
 27  1    45.2392   2.12240   2190.00   150.000   13.1062   0.00466   40.1971   5.04216   2.37569   12.8607   0.24551   52.6363   1.0000000
 28  1    45.3343   2.23440   2290.00   150.000   13.1220   0.00493   40.6808   4.65354   2.08268   12.8933   0.22874   46.4160   1.0000000
 29  1    54.1843   1.03600   1220.00   150.000   12.2175   0.00381   53.3282   0.85611   0.82636   12.1869   0.03066   8.03822   1.0000000
 30  1    54.2740   1.08080   1260.00   150.000   12.2301   0.00219   53.2971   0.97697   0.90393   12.1949   0.03513   16.0256   1.0000000
 31  1    54.2970   1.17040   1340.00   150.000   12.2500   0.00200   53.3802   0.91677   0.78330   12.2167   0.03325   16.6458   1.0000000
 32  1    54.2284   1.27120   1430.00   150.000   12.2737   0.00174   53.4429   0.78555   0.61796   12.2450   0.02878   16.5007   1.0000000
 33  1    54.1407   1.32720   1480.00   150.000   12.3063   0.00205   52.9612   1.17948   0.88870   12.2626   0.04365   21.2858   1.0000000
 34  1    54.1687   1.43920   1580.00   150.000   12.3363   0.00247   52.9507   1.21801   0.84631   12.2907   0.04560   18.4759   1.0000000
 35  1    54.2215   1.55120   1680.00   150.000   12.3764   0.00333   52.6898   1.53170   0.98743   12.3182   0.05812   17.4712   1.0000000
 36  1    54.2202   1.62960   1750.00   150.000   12.4062   0.00459   52.4702   1.75006   1.07392   12.3391   0.06708   14.6104   1.0000000
 37  1    54.2211   1.69680   1810.00   150.000   12.4249   0.00480   52.4649   1.75620   1.03501   12.3571   0.06781   14.1264   1.0000000
 38  1    54.2430   1.77520   1880.00   150.000   12.4580   0.00387   52.1775   2.06553   1.16354   12.3774   0.08060   20.8085   1.0000000
 39  1    54.2302   1.84240   1940.00   150.000   12.4695   0.00403   52.3646   1.86562   1.01260   12.3962   0.07324   18.1873   1.0000000
 40  1    54.2358   1.93200   2020.00   150.000   12.4931   0.00415   52.4075   1.82832   0.94634   12.4206   0.07246   17.4466   1.0000000
 41  1    54.2892   2.04400   2120.00   150.000   12.5415   0.00433   52.0063   2.28297   1.11691   12.4496   0.09187   21.1939   1.0000000
 42  1    54.2243   2.13360   2200.00   150.000   12.5877   0.00492   51.5212   2.70309   1.26691   12.4774   0.11038   22.4271   1.0000000
 43  1    57.9981   1.12560   1300.00   150.000   12.0885   0.00309   57.6355   0.36258   0.32212   12.0761   0.01238   4.00579   1.0000000
 44  1    58.0563   1.24880   1410.00   150.000   12.1192   0.00340   57.6108   0.44554   0.35677   12.1038   0.01539   4.53237   1.0000000
 45  1    58.0852   1.30480   1460.00   150.000   12.1072   0.00322   58.3521   -0.2669   0.20455   12.1164   -0.0092   2.86383   1.0000000
 46  1    58.1264   1.37200   1520.00   150.000   12.1205   0.00278   58.4412   -0.3147   0.22939   12.1315   -0.0109   3.93123   1.0000000
 47  1    58.2363   1.49520   1630.00   150.000   12.1345   0.00286   58.9071   -0.6709   0.44868   12.1580   -0.0235   8.20577   1.0000000
 48  1    58.3077   1.57360   1700.00   150.000   12.1414   0.00286   59.2624   -0.9548   0.60675   12.1750   -0.0336   11.7677   1.0000000
 49  1    58.5404   1.65200   1770.00   150.000   12.1618   0.00263   59.2352   -0.6948   0.42061   12.1864   -0.0246   9.34086   1.0000000
 50  1    58.6663   1.74160   1850.00   150.000   12.2158   0.00254   58.3532   0.31301   0.17972   12.2045   0.01124   4.42588   1.0000000
<-------------------------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    58.8002   1.83120   1930.00   150.000   12.2296   0.00340   58.6035   0.19675   0.10744   12.2225   0.00711   2.09272   1.0000000
 52  1    58.8179   1.92080   2010.00   150.000   12.2413   0.00282   58.9140   -0.0961   0.05003   12.2448   -0.0035   1.23844   1.0000000
 53  1    58.9342   1.98800   2070.00   150.000   12.2520   0.00379   59.0941   -0.1599   0.08043   12.2579   -0.0058   1.54323   1.0000000
 54  1    59.1212   2.11120   2180.00   150.000   12.2584   0.00401   59.7896   -0.6684   0.31658   12.2830   -0.0246   6.13245   1.0000000
 55  1    59.2891   2.18960   2250.00   150.000   12.2828   0.00503   59.6811   -0.3920   0.17901   12.2974   -0.0145   2.88815   1.0000000
 56  1    59.3838   2.27920   2330.00   150.000   12.2963   0.00797   59.9523   -0.5685   0.24943   12.3175   -0.0212   2.66298   1.0000000
 57  1    63.7709   1.12560   1300.00   150.000   11.9339   0.00325   62.2962   1.47470   1.31015   11.8869   0.04696   14.4376   1.0000000
 58  1    63.6024   1.17040   1340.00   150.000   11.9447   0.00340   62.2756   1.32676   1.13359   11.9023   0.04247   12.4866   1.0000000
 59  1    63.4838   1.26000   1420.00   150.000   11.9513   0.00291   62.7030   0.78084   0.61972   11.9262   0.02515   8.65441   1.0000000
 60  1    63.4353   1.32720   1480.00   150.000   11.9543   0.00321   63.0839   0.35141   0.26477   11.9430   0.01136   3.53697   1.0000000
 61  1    63.4263   1.40560   1550.00   150.000   11.9587   0.00173   63.5010   -0.0747   0.05315   11.9612   -0.0024   1.40584   1.0000000
 62  1    63.4708   1.49520   1630.00   150.000   11.9641   0.00191   63.9694   -0.4987   0.33351   11.9804   -0.0163   8.51411   1.0000000
 63  1    63.4788   1.55120   1680.00   150.000   11.9715   0.00200   64.1362   -0.6575   0.42385   11.9931   -0.0216   10.7752   1.0000000
 64  1    63.4561   1.64080   1760.00   150.000   11.9934   0.00234   64.1002   -0.6441   0.39253   12.0147   -0.0213   9.11265   1.0000000
 65  1    63.4578   1.71920   1830.00   150.000   12.0151   0.00190   63.9976   -0.5397   0.31393   12.0331   -0.0180   9.48239   1.0000000
 66  1    63.4820   1.79760   1900.00   150.000   12.0372   0.00200   63.8893   -0.4073   0.22660   12.0509   -0.0137   6.86268   1.0000000
 67  1    63.4522   1.88720   1980.00   150.000   12.0589   0.00209   63.8776   -0.4254   0.22543   12.0733   -0.0144   6.90236   1.0000000
 68  1    63.5647   1.97680   2060.00   150.000   12.0863   0.00276   63.7055   -0.1408   0.07122   12.0911   -0.0048   1.74722   1.0000000
 69  1    63.7663   2.11120   2180.00   150.000   12.1088   0.00246   63.9984   -0.2321   0.10995   12.1169   -0.0080   3.25846   1.0000000
 70  1    63.8600   2.22320   2280.00   150.000   12.1322   0.00476   64.1163   -0.2563   0.11531   12.1411   -0.0089   1.88038   1.0000000
 71  1    63.9175   2.32400   2370.00   150.000   12.1588   0.00333   64.0674   -0.1500   0.06452   12.1641   -0.0053   1.58478   1.0000000
 72  1    64.2285   2.38000   2420.00   150.000   12.1796   0.00397   63.8767   0.35178   0.14781   12.1671   0.01246   3.13714   1.0000000
 73  1    64.2644   2.48080   2510.00   150.000   12.2196   0.00305   63.4719   0.79249   0.31945   12.1911   0.02842   9.31340   1.0000000
 74  1    64.1073   2.51440   2540.00   150.000   12.2416   0.00389   63.0998   1.00756   0.40072   12.2052   0.03639   9.35394   1.0000000
 75  1    83.7593   1.26000   1420.00   150.000   11.3323   0.00310   84.4633   -0.7040   0.55873   11.3500   -0.0177   5.72429   1.0000000
 76  1    83.8346   1.33840   1490.00   150.000   11.3411   0.00342   84.6665   -0.8319   0.62155   11.3621   -0.0210   6.15264   1.0000000
 77  1    83.9210   1.41680   1560.00   150.000   11.3796   0.00341   83.7026   0.21846   0.15419   11.3740   0.00558   1.63936   1.0000000
 78  1    84.2479   1.55120   1680.00   150.000   11.3835   0.00317   84.5010   -0.2531   0.16318   11.3900   -0.0065   2.05166   1.0000000
 79  1    84.3992   1.61840   1740.00   150.000   11.3960   0.00245   84.4861   -0.0868   0.05366   11.3983   -0.0022   0.91267   1.0000000
 80  1    84.4442   1.69680   1810.00   150.000   11.4172   0.00298   84.2234   0.22083   0.13015   11.4114   0.00574   1.92286   1.0000000
 81  1    84.4649   1.77520   1880.00   150.000   11.4407   0.00254   83.8742   0.59072   0.33276   11.4253   0.01546   6.07877   1.0000000
 82  1    84.4635   1.86480   1960.00   150.000   11.4700   0.00311   83.4013   1.06220   0.56961   11.4419   0.02807   9.02135   1.0000000
 83  1    84.4695   1.97680   2060.00   150.000   11.4938   0.00347   83.3008   1.16868   0.59120   11.4626   0.03117   8.97064   1.0000000
 84  1    84.3718   2.10000   2170.00   150.000   11.5203   0.00710   83.1872   1.18456   0.56407   11.4884   0.03194   4.50050   1.0000000
 85  1    84.3526   2.17840   2240.00   150.000   11.5095   0.00636   84.1406   0.21200   0.09732   11.5038   0.00572   0.89986   1.0000000
 86  1    84.3375   2.27920   2330.00   150.000   11.5130   0.00536   84.7255   -0.3881   0.17026   11.5235   -0.0105   1.96160   1.0000000
 87  1    84.6732   2.40240   2440.00   150.000   11.5496   0.00623   84.2521   0.42113   0.17530   11.5381   0.01154   1.85268   1.0000000
 88  1    84.6227   2.48080   2510.00   150.000   11.5596   0.00717   84.4452   0.17751   0.07155   11.5547   0.00489   0.68174   1.0000000
 89  1    92.4086   1.47280   1610.00   150.000   11.2253   0.00678   90.3227   2.08590   1.41628   11.1758   0.04953   7.30143   1.0000000
 90  1    92.4186   1.69680   1810.00   150.000   11.2230   0.00358   92.0026   0.41605   0.24520   11.2130   0.00995   2.78172   1.0000000
 91  1    92.8268   1.80880   1910.00   150.000   11.2114   0.00237   93.2767   -0.4499   0.24872   11.2222   -0.0108   4.54091   1.0000000
 92  1    92.8125   1.57360   1700.00   150.000   11.1689   0.00178   93.4135   -0.6010   0.38191   11.1831   -0.0141   7.92959   1.0000000
 93  1    92.7971   1.46160   1600.00   150.000   11.1518   0.00176   93.3570   -0.5600   0.38311   11.1649   -0.0131   7.43553   1.0000000
 94  1    93.0799   1.75280   1860.00   150.000   11.1819   0.00201   94.1251   -1.0452   0.59629   11.2067   -0.0248   12.3115   1.0000000
 95  1    93.2651   1.84240   1940.00   150.000   11.1915   0.00212   94.3514   -1.0863   0.58961   11.2174   -0.0258   12.1884   1.0000000
 96  1    93.4954   1.95440   2040.00   150.000   11.2112   0.00321   94.3129   -0.8175   0.41828   11.2308   -0.0196   6.10814   1.0000000
 97  1    93.6135   2.04400   2120.00   150.000   11.2305   0.00254   94.1427   -0.5291   0.25886   11.2432   -0.0128   5.01906   1.0000000
 98  1    93.7267   2.16720   2230.00   150.000   11.2545   0.00216   94.0176   -0.2908   0.13419   11.2616   -0.0071   3.27525   1.0000000
 99  1    94.0063   2.34640   2390.00   150.000   11.2763   0.00251   94.3946   -0.3883   0.16549   11.2858   -0.0095   3.79826   1.0000000
100  1    94.0082   2.44720   2480.00   150.000   11.3218   0.00372   93.2662   0.74204   0.30322   11.3033   0.01847   4.96587   1.0000000
<-------------------------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    94.2592   2.52560   2550.00   150.000   11.3218   0.00436   93.8229   0.43623   0.17272   11.3109   0.01087   2.49642   1.0000000
102  1    108.263   1.60720   1730.00   150.000   10.7924   0.00317   111.076   -2.8131   1.75033   10.8492   -0.0568   17.9441   1.0000000
103  1    108.554   1.68560   1800.00   150.000   10.7941   0.00283   111.548   -2.9938   1.77610   10.8546   -0.0606   21.3808   1.0000000
104  1    109.100   1.87600   1970.00   150.000   10.8122   0.00211   111.986   -2.8865   1.53867   10.8710   -0.0588   27.9199   1.0000000
105  1    109.347   1.61840   1740.00   150.000   10.7958   0.00192   110.987   -1.6398   1.01322   10.8288   -0.0330   17.1986   1.0000000
106  1    109.266   1.49520   1630.00   150.000   10.7874   0.00176   110.537   -1.2713   0.85025   10.8129   -0.0255   14.4901   1.0000000
107  1    109.210   1.39440   1540.00   150.000   10.7763   0.00180   110.384   -1.1738   0.84180   10.7997   -0.0234   12.9914   1.0000000
108  1    109.146   1.28240   1440.00   150.000   10.7660   0.00176   110.115   -0.9686   0.75534   10.7852   -0.0192   10.8875   1.0000000
109  1    109.052   1.17040   1340.00   150.000   10.7582   0.00195   109.724   -0.6719   0.57409   10.7714   -0.0132   6.80587   1.0000000
110  1    109.097   1.17040   1340.00   150.000   10.7565   0.00201   109.811   -0.7136   0.60967   10.7705   -0.0141   6.98100   1.0000000
111  1    109.504   1.57360   1700.00   150.000   10.7856   0.00200   111.183   -1.6789   1.06689   10.8192   -0.0336   16.8561   1.0000000
112  1    109.609   1.68560   1800.00   150.000   10.7949   0.00190   111.504   -1.8948   1.12411   10.8331   -0.0382   20.0950   1.0000000
113  1    109.780   1.74160   1850.00   150.000   10.7970   0.00186   111.796   -2.0162   1.15768   10.8377   -0.0407   21.8707   1.0000000
114  1    109.961   1.89840   1990.00   150.000   10.8106   0.00205   112.226   -2.2656   1.19341   10.8566   -0.0460   22.4138   1.0000000
115  1    110.057   1.98800   2070.00   150.000   10.8249   0.00238   112.150   -2.0935   1.05307   10.8676   -0.0428   17.9426   1.0000000
116  1    110.219   2.08880   2160.00   150.000   10.8502   0.00258   111.619   -1.3997   0.67012   10.8790   -0.0288   11.1786   1.0000000
117  1    110.303   2.18960   2250.00   150.000   10.8687   0.00300   111.430   -1.1270   0.51469   10.8920   -0.0234   7.77246   1.0000000
118  1    110.562   2.26800   2320.00   150.000   10.8740   0.00369   111.728   -1.1658   0.51402   10.8982   -0.0242   6.56863   1.0000000
119  1    110.756   2.36880   2410.00   150.000   10.8899   0.00549   111.672   -0.9157   0.38656   10.9090   -0.0191   3.48656   1.0000000
120  1    110.707   2.49200   2520.00   150.000   10.9344   0.00455   110.425   0.28167   0.11303   10.9284   0.00597   1.30962   1.0000000
121  1    110.928   2.57040   2590.00   150.000   10.9509   0.00494   110.202   0.72624   0.28254   10.9355   0.01546   3.13005   1.0000000
122  1    115.855   1.70800   1820.00   150.000   10.6053   0.00627   121.554   -5.6995   3.33696   10.7127   -0.1073   17.1284   1.0000000
123  1    116.306   1.71920   1830.00   150.000   10.5870   0.00644   122.634   -6.3288   3.68123   10.7055   -0.1185   18.4100   1.0000000
124  1    116.740   1.90960   2000.00   150.000   10.6021   0.00547   123.152   -6.4113   3.35742   10.7231   -0.1209   22.0961   1.0000000
125  1    117.407   1.97680   2060.00   150.000   10.6257   0.00423   122.352   -4.9456   2.50181   10.7193   -0.0937   22.1266   1.0000000
126  1    117.832   2.13360   2200.00   150.000   10.6405   0.00487   122.662   -4.8294   2.26349   10.7326   -0.0920   18.9064   1.0000000
127  1    118.498   2.30160   2350.00   150.000   10.6947   0.00651   120.983   -2.4848   1.07961   10.7427   -0.0480   7.37866   1.0000000
128  1    118.847   2.39120   2430.00   150.000   10.6960   0.00459   121.548   -2.7010   1.12958   10.7483   -0.0523   11.3809   1.0000000
129  1    118.550   1.90960   2000.00   150.000   10.6173   0.00962   122.332   -3.7816   1.98029   10.6883   -0.0710   7.37979   1.0000000
130  1    118.524   1.79760   1900.00   150.000   10.6006   0.00661   122.444   -3.9195   2.18038   10.6737   -0.0731   11.0532   1.0000000
131  1    118.494   1.68560   1800.00   150.000   10.5952   0.00854   121.946   -3.4517   2.04778   10.6594   -0.0641   7.50345   1.0000000
132  1    118.350   1.57360   1700.00   150.000   10.5937   0.00797   121.240   -2.8895   1.83620   10.6472   -0.0535   6.71648   1.0000000
133  1    118.373   1.46160   1600.00   150.000   10.5816   0.00963   121.114   -2.7416   1.87575   10.6320   -0.0505   5.24261   1.0000000
134  1    118.240   1.23760   1400.00   150.000   10.5806   0.00776   119.590   -1.3497   1.09054   10.6052   -0.0247   3.18173   1.0000000
135  1    128.752   1.15920   1330.00   150.000   10.4041   0.00358   129.122   -0.3696   0.31881   10.4103   -0.0062   1.73887   1.0000000
136  1    129.081   1.33840   1490.00   150.000   10.4082   0.00403   130.136   -1.0553   0.78845   10.4261   -0.0179   4.42960   1.0000000
137  1    129.340   1.52880   1660.00   150.000   10.4126   0.00374   131.223   -1.8826   1.23139   10.4446   -0.0320   8.55856   1.0000000
138  1    129.907   1.67440   1790.00   150.000   10.4085   0.00548   132.490   -2.5830   1.54266   10.4525   -0.0440   8.02746   1.0000000
139  1    130.211   1.82000   1920.00   150.000   10.4056   0.00417   133.690   -3.4788   1.91145   10.4650   -0.0594   14.2262   1.0000000
140  1    130.971   2.02160   2100.00   150.000   10.4077   0.00481   134.991   -4.0204   1.98875   10.4766   -0.0688   14.3246   1.0000000
141  1    131.695   2.17840   2240.00   150.000   10.4277   0.00481   134.919   -3.2238   1.47989   10.4832   -0.0555   11.5362   1.0000000
142  1    132.596   2.40240   2440.00   150.000   10.4588   0.00461   134.686   -2.0905   0.87018   10.4952   -0.0364   7.88671   1.0000000
143  1    148.509   1.20400   1370.00   150.000   10.0719   0.00428   150.701   -2.1920   1.82060   10.1039   -0.0320   7.48157   1.0000000
144  1    148.906   1.42800   1570.00   150.000   10.0723   0.00384   152.255   -3.3496   2.34566   10.1214   -0.0492   12.7947   1.0000000
145  1    149.347   1.60720   1730.00   150.000   10.0751   0.00383   153.324   -3.9763   2.47406   10.1337   -0.0585   15.2994   1.0000000
146  1    149.948   1.79760   1900.00   150.000   10.0741   0.00659   154.737   -4.7888   2.66399   10.1448   -0.0707   10.7214   1.0000000
147  1    68.9000   0.40000   300.000   0.00000   11.5490   0.00452   67.5046   1.39540   3.48850   11.5109   0.03802   8.41807   1.0000000
148  1    84.8000   0.40000   300.000   0.00000   11.0747   0.00452   86.5989   -1.7989   4.49717   11.1156   -0.0409   9.04602   1.0000000
149  1    101.100   0.20000   300.000   0.00000   10.7345   0.00452   102.864   -1.7639   8.81927   10.7690   -0.0346   7.65645   1.0000000
150  1    70.3000   0.10000   300.000   0.00000   11.4752   0.00301   70.2323   0.06767   0.67673   11.4734   0.00180   0.59797   1.0000000
151  1    39.0000   0.10000   300.000   0.00000   12.4839   0.00452   39.1892   -0.1892   1.89194   12.4915   -0.0076   1.68053   1.0000000
152  1    44.3000   0.10000   300.000   0.00000   12.3062   0.00452   43.7836   0.51638   5.16384   12.2870   0.01921   4.25232   1.0000000
153  1    112.300   0.50000   300.000   0.00000   10.5297   0.00903   113.869   -1.5687   3.13742   10.5578   -0.0281   3.10958   1.0000000
154  1    130.600   0.50000   300.000   0.00000   10.2753   0.00903   128.999   1.60085   3.20169   10.2500   0.02531   2.80205   1.0000000
155  1    148.500   0.60000   300.000   0.00000   10.0103   0.00753   146.697   1.80347   3.00578   9.98501   0.02530   3.36068   1.0000000
156  1    170.500   0.60000   300.000   0.00000   9.74232   0.00753   166.905   3.59485   5.99141   9.69794   0.04438   5.89586   1.0000000
157  1    185.500   0.60000   300.000   0.00000   9.47283   0.00753   189.930   -4.4299   7.38317   9.52209   -0.0493   6.54450   1.0000000
158  1    198.200   0.60000   300.000   0.00000   9.37948   0.00753   198.613   -0.4132   0.68871   9.38383   -0.0043   0.57783   1.0000000
159  1    214.500   0.60000   300.000   0.00000   9.23043   0.00753   213.309   1.19115   1.98524   9.21881   0.01162   1.54421   1.0000000

  FITTING STATISTICS FOR 1 PARAMETERS FITTED TO 159 DATA:
      MAXIMUM DELTA-PRESSURE= 6.832


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      Gamm0
    Gamm0:     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     Gamm0
    Gamm0:   0.00162

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

EOSFIT-7.6>save /Users/clemens/Programming/peritheos/docs/data/fes-eosfit7c-staged-q-compromise/unit/fitted.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved:  3-OCT-2026 at 13:28
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  14.8943           :Reference pressure volume: units are cm^3/mol
      K0:  148.573           :Bulk modulus: units are GPa
      Kp:  4.52367           :dK/dP: dimensionless
     Kpp: -0.0315            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
           with q-compromise
 
   Temperature of reference:   300.00 K
 
   ThMGD:  417.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.37(4)           :Gruneisen parameter at Tref,Pref
 
  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/fes-eosfit7c-staged-q-compromise/unit/fitted.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/fes-eosfit7c-staged-q-compromise/unit/fitted.eos


EOSFIT-7.6>
***** Macro completed

EOSFIT-7.6>