***********************************************************************************************************************
*                                                                                                                     *
*                                                     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 13:52                                                                     *
*                                                                                                                     *
***********************************************************************************************************************

EOSFIT-7.6>

Successfully opened file for macros
Named /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/without-own-cold-joint-unit/run.mcr

***** Running macro

EOSFIT-7.6>log /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/without-own-cold-joint-unit/run.log


Successfully opened Log file
Named /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/without-own-cold-joint-unit/run.log


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>load /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/sources/FeS6.eos


Successfully opened file with eos
Named /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/sources/FeS6.eos

 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 12-mars-2024 at 18:44
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  15.3700           :Reference pressure volume: units are cm^3/mol
      K0:  115.490           :Bulk modulus: units are GPa
      Kp:  4.99000           :dK/dP: dimensionless
     Kpp: -0.0507            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   298.00 K
 
   ThMGD:  417.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.42(4)           :Gruneisen parameter at Tref,Pref
       q:  1.00000           :Gruneisen power law in V/V0
 

INPUT EOS>x

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


EOSFIT-7.6>read /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/sources/FeS6EOSfittot-SataOhfuji-300K.dat


Successfully opened data file
Named /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/sources/FeS6EOSfittot-SataOhfuji-300K.dat



        The title on the file is:
             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:
           The calculated values are from:

  THE 167 LOADED DATA ARE AS FOLLOWS:

     **********Scale factors in use: Calculated values have been scaled to observed values**********
<-------------------------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
  1  1    29.5964   1.29360   1450.00   150.000   13.6912   0.00301   26.5828   3.01369   2.32969   13.4909   0.20034   66.6062
  2  1    29.6173   1.38320   1530.00   150.000   13.7498   0.00330   26.3702   3.24709   2.34752   13.5297   0.22011   66.7117
  3  1    29.6810   1.47280   1610.00   150.000   13.7994   0.00363   26.3005   3.38059   2.29535   13.5662   0.23316   64.2890
  4  1    29.9049   1.58480   1710.00   150.000   13.8947   0.00426   25.7874   4.11756   2.59816   13.6031   0.29155   68.4916
  5  1    33.1277   1.09200   1270.00   150.000   13.3751   0.00163   30.0517   3.07602   2.81687   13.1944   0.18073   111.151
  6  1    33.2312   1.18160   1350.00   150.000   13.4019   0.00199   30.2366   2.99461   2.53437   13.2239   0.17798   89.3215
  7  1    33.4179   1.31600   1470.00   150.000   13.4595   0.00519   30.2471   3.17083   2.40944   13.2671   0.19234   37.0549
  8  1    33.4179   1.31600   1470.00   150.000   13.4595   0.00519   30.2471   3.17083   2.40944   13.2671   0.19234   37.0549
  9  1    41.6518   1.03600   1220.00   150.000   12.8111   0.00274   40.0639   1.58797   1.53279   12.7353   0.07574   27.5983
 10  1    41.7693   1.15920   1330.00   150.000   12.8350   0.00263   40.4256   1.34371   1.15917   12.7701   0.06487   24.7018
 11  1    41.6736   1.26000   1420.00   150.000   12.8648   0.00241   40.5182   1.15540   0.91698   12.8082   0.05657   23.4871
 12  1    41.9291   1.36080   1510.00   150.000   12.9202   0.00185   40.1130   1.81609   1.33458   12.8298   0.09035   48.7440
 13  1    41.8033   1.43920   1580.00   150.000   12.9554   0.00343   39.9674   1.83591   1.27564   12.8628   0.09262   26.9957
 14  1    41.9176   1.50640   1640.00   150.000   12.9752   0.00226   40.0505   1.86710   1.23944   12.8803   0.09492   42.0433
 15  1    42.1986   1.62960   1750.00   150.000   13.0096   0.00374   40.2489   1.94967   1.19641   12.9092   0.10042   26.8822
 16  1    42.6556   1.78640   1890.00   150.000   13.0418   0.00396   40.7333   1.92233   1.07609   12.9415   0.10034   25.3502
 17  1    45.1681   1.06960   1250.00   150.000   12.6349   0.00424   44.0682   1.09989   1.02832   12.5858   0.04905   11.5747
 18  1    44.9994   1.17040   1340.00   150.000   12.6735   0.00406   43.9159   1.08351   0.92576   12.6244   0.04910   12.0932
 19  1    44.9909   1.24880   1410.00   150.000   12.6937   0.00419   44.0183   0.97262   0.77884   12.6492   0.04449   10.6269
 20  1    44.9010   1.38320   1530.00   150.000   12.7792   0.00235   43.1321   1.76881   1.27878   12.6960   0.08316   35.3595
 21  1    44.8590   1.52880   1660.00   150.000   12.8025   0.00322   43.6593   1.19970   0.78473   12.7452   0.05726   17.7998
 22  1    44.9072   1.64080   1760.00   150.000   12.8579   0.00294   43.3049   1.60224   0.97650   12.7800   0.07791   26.4825
 23  1    44.9390   1.74160   1850.00   150.000   12.9170   0.00362   42.8241   2.11496   1.21438   12.8122   0.10480   28.9650
 24  1    45.0022   1.84240   1940.00   150.000   12.9424   0.00392   43.0285   1.97364   1.07123   12.8434   0.09894   25.2146
 25  1    45.0678   1.90960   2000.00   150.000   12.9831   0.00433   42.7072   2.36056   1.23615   12.8633   0.11981   27.6583
 26  1    45.1985   2.02160   2100.00   150.000   13.0163   0.00520   42.8547   2.34383   1.15939   12.8957   0.12058   23.1970
 27  1    45.2392   2.12240   2190.00   150.000   13.1059   0.00466   41.8885   3.35077   1.57876   12.9292   0.17675   37.8954
 28  1    45.3343   2.23440   2290.00   150.000   13.1217   0.00493   42.3826   2.95168   1.32102   12.9644   0.15734   31.9288
 29  1    54.1843   1.03600   1220.00   150.000   12.2173   0.00381   53.9608   0.22350   0.21573   12.2088   0.00844   2.21318
 30  1    54.2740   1.08080   1260.00   150.000   12.2298   0.00219   53.9400   0.33405   0.30907   12.2171   0.01267   5.78136
 31  1    54.2970   1.17040   1340.00   150.000   12.2497   0.00200   54.0375   0.25953   0.22175   12.2398   0.00994   4.97494
 32  1    54.2284   1.27120   1430.00   150.000   12.2735   0.00174   54.1189   0.10954   0.08617   12.2692   0.00424   2.43126
 33  1    54.1407   1.32720   1480.00   150.000   12.3060   0.00205   53.6737   0.46699   0.35186   12.2877   0.01828   8.91298
 34  1    54.1687   1.43920   1580.00   150.000   12.3360   0.00247   53.6903   0.47844   0.33243   12.3171   0.01896   7.68263
 35  1    54.2215   1.55120   1680.00   150.000   12.3761   0.00333   53.4704   0.75106   0.48418   12.3459   0.03020   9.07911
 36  1    54.2202   1.62960   1750.00   150.000   12.4059   0.00459   53.2824   0.93783   0.57550   12.3678   0.03813   8.30436
 37  1    54.2211   1.69680   1810.00   150.000   12.4246   0.00480   53.2951   0.92593   0.54569   12.3867   0.03794   7.90457
 38  1    54.2430   1.77520   1880.00   150.000   12.4577   0.00387   53.0441   1.19888   0.67535   12.4081   0.04969   12.8282
 39  1    54.2302   1.84240   1940.00   150.000   12.4692   0.00403   53.2397   0.99050   0.53761   12.4279   0.04132   10.2619
 40  1    54.2358   1.93200   2020.00   150.000   12.4928   0.00415   53.3055   0.93032   0.48153   12.4536   0.03922   9.44248
 41  1    54.2892   2.04400   2120.00   150.000   12.5412   0.00433   52.9584   1.33084   0.65110   12.4842   0.05703   13.1563
 42  1    54.2243   2.13360   2200.00   150.000   12.5874   0.00492   52.5269   1.69739   0.79555   12.5135   0.07389   15.0143
 43  1    57.9981   1.12560   1300.00   150.000   12.0882   0.00309   58.0846   -0.0865   0.07681   12.0913   -0.0031   1.00356
 44  1    58.0563   1.24880   1410.00   150.000   12.1189   0.00340   58.0839   -0.0276   0.02211   12.1199   -0.0010   0.29494
 45  1    58.0852   1.30480   1460.00   150.000   12.1069   0.00322   58.8021   -0.7169   0.54946   12.1330   -0.0260   8.09438
 46  1    58.1264   1.37200   1520.00   150.000   12.1202   0.00278   58.9005   -0.7740   0.56417   12.1485   -0.0283   10.1753
 47  1    58.2363   1.49520   1630.00   150.000   12.1343   0.00286   59.3705   -1.1343   0.75860   12.1761   -0.0418   14.6094
 48  1    58.3077   1.57360   1700.00   150.000   12.1412   0.00285   59.7261   -1.4184   0.90137   12.1938   -0.0526   18.4187
 49  1    58.5404   1.65200   1770.00   150.000   12.1615   0.00263   59.7174   -1.1770   0.71249   12.2055   -0.0439   16.6790
 50  1    58.6663   1.74160   1850.00   150.000   12.2155   0.00254   58.8981   -0.2319   0.13313   12.2243   -0.0088   3.45941
<-------------------------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
 51  1    58.8002   1.83120   1930.00   150.000   12.2293   0.00340   59.1574   -0.3572   0.19506   12.2429   -0.0136   4.01021
 52  1    58.8179   1.92080   2010.00   150.000   12.2410   0.00282   59.4745   -0.6566   0.34184   12.2663   -0.0252   8.94392
 53  1    58.9342   1.98800   2070.00   150.000   12.2517   0.00379   59.6623   -0.7281   0.36627   12.2799   -0.0281   7.42593
 54  1    59.1212   2.11120   2180.00   150.000   12.2582   0.00401   60.3543   -1.2330   0.58405   12.3061   -0.0480   11.9635
 55  1    59.2891   2.18960   2250.00   150.000   12.2825   0.00503   60.2711   -0.9820   0.44848   12.3211   -0.0385   7.65581
 56  1    59.3838   2.27920   2330.00   150.000   12.2960   0.00797   60.5519   -1.1681   0.51250   12.3421   -0.0462   5.79191
 57  1    63.7709   1.12560   1300.00   150.000   11.9336   0.00325   62.5418   1.22913   1.09197   11.8927   0.04089   12.5714
 58  1    63.6024   1.17040   1340.00   150.000   11.9445   0.00340   62.5290   1.07336   0.91709   11.9085   0.03591   10.5586
 59  1    63.4838   1.26000   1420.00   150.000   11.9511   0.00291   62.9527   0.53111   0.42152   11.9332   0.01789   6.15580
 60  1    63.4353   1.32720   1480.00   150.000   11.9541   0.00321   63.3288   0.10654   0.08028   11.9505   0.00360   1.12143
 61  1    63.4263   1.40560   1550.00   150.000   11.9585   0.00173   63.7418   -0.3155   0.22445   11.9692   -0.0107   6.21458
 62  1    63.4708   1.49520   1630.00   150.000   11.9638   0.00191   64.2063   -0.7356   0.49196   11.9889   -0.0251   13.1485
 63  1    63.4788   1.55120   1680.00   150.000   11.9712   0.00200   64.3764   -0.8976   0.57864   12.0021   -0.0308   15.4082
 64  1    63.4561   1.64080   1760.00   150.000   11.9931   0.00234   64.3591   -0.9030   0.55032   12.0244   -0.0313   13.3904
 65  1    63.4578   1.71920   1830.00   150.000   12.0148   0.00190   64.2766   -0.8187   0.47623   12.0435   -0.0286   15.0868
 66  1    63.4820   1.79760   1900.00   150.000   12.0369   0.00200   64.1893   -0.7073   0.39346   12.0619   -0.0249   12.5039
 67  1    63.4522   1.88720   1980.00   150.000   12.0586   0.00209   64.1970   -0.7448   0.39467   12.0852   -0.0265   12.6912
 68  1    63.5647   1.97680   2060.00   150.000   12.0860   0.00276   64.0523   -0.4876   0.24668   12.1035   -0.0175   6.36051
 69  1    63.7663   2.11120   2180.00   150.000   12.1086   0.00246   64.3620   -0.5957   0.28216   12.1302   -0.0216   8.79286
 70  1    63.8600   2.22320   2280.00   150.000   12.1319   0.00476   64.5002   -0.6403   0.28799   12.1554   -0.0235   4.94362
 71  1    63.9175   2.32400   2370.00   150.000   12.1586   0.00333   64.4776   -0.5602   0.24104   12.1793   -0.0208   6.23542
 72  1    64.2285   2.38000   2420.00   150.000   12.1793   0.00397   64.3095   -0.0810   0.03404   12.1823   -0.0030   0.76118
 73  1    64.2644   2.48080   2510.00   150.000   12.2193   0.00305   63.9492   0.31517   0.12704   12.2073   0.01192   3.90667
 74  1    64.1073   2.51440   2540.00   150.000   12.2414   0.00389   63.6037   0.50358   0.20028   12.2222   0.01919   4.93226
 75  1    83.7593   1.26000   1420.00   150.000   11.3320   0.00310   83.9329   -0.1735   0.13772   11.3365   -0.0045   1.45058
 76  1    83.8346   1.33840   1490.00   150.000   11.3408   0.00342   84.1348   -0.3002   0.22426   11.3486   -0.0078   2.28224
 77  1    83.9210   1.41680   1560.00   150.000   11.3793   0.00341   83.2056   0.71545   0.50497   11.3605   0.01881   5.52290
 78  1    84.2479   1.55120   1680.00   150.000   11.3832   0.00317   83.9908   0.25715   0.16577   11.3764   0.00679   2.14474
 79  1    84.3992   1.61840   1740.00   150.000   11.3958   0.00245   83.9824   0.41684   0.25756   11.3847   0.01106   4.51056
 80  1    84.4442   1.69680   1810.00   150.000   11.4169   0.00298   83.7358   0.70842   0.41750   11.3979   0.01894   6.35128
 81  1    84.4649   1.77520   1880.00   150.000   11.4405   0.00254   83.4061   1.05882   0.59645   11.4119   0.02855   11.2260
 82  1    84.4635   1.86480   1960.00   150.000   11.4697   0.00311   82.9588   1.50469   0.80689   11.4287   0.04098   13.1720
 83  1    84.4695   1.97680   2060.00   150.000   11.4935   0.00347   82.8754   1.59406   0.80639   11.4497   0.04385   12.6204
 84  1    84.3718   2.10000   2170.00   150.000   11.5201   0.00710   82.7817   1.59009   0.75718   11.4758   0.04424   6.23516
 85  1    84.3526   2.17840   2240.00   150.000   11.5093   0.00636   83.7132   0.63933   0.29349   11.4914   0.01781   2.80105
 86  1    84.3375   2.27920   2330.00   150.000   11.5127   0.00536   84.2921   0.04535   0.01990   11.5114   0.00127   0.23718
 87  1    84.6732   2.40240   2440.00   150.000   11.5493   0.00623   83.8523   0.82092   0.34171   11.5261   0.02324   3.73070
 88  1    84.6227   2.48080   2510.00   150.000   11.5593   0.00717   84.0503   0.57241   0.23074   11.5430   0.01630   2.27242
 89  1    92.4086   1.47280   1610.00   150.000   11.2251   0.00678   89.6369   2.77168   1.88191   11.1577   0.06737   9.93063
 90  1    92.4186   1.69680   1810.00   150.000   11.2227   0.00358   91.2846   1.13402   0.66833   11.1949   0.02778   7.76452
 91  1    92.8268   1.80880   1910.00   150.000   11.2112   0.00237   92.5317   0.29511   0.16315   11.2039   0.00723   3.05056
 92  1    92.8125   1.57360   1700.00   150.000   11.1687   0.00178   92.6501   0.16244   0.10323   11.1648   0.00391   2.19260
 93  1    92.7971   1.46160   1600.00   150.000   11.1515   0.00176   92.5898   0.20726   0.14180   11.1466   0.00494   2.81404
 94  1    93.0799   1.75280   1860.00   150.000   11.1817   0.00201   93.3535   -0.2735   0.15606   11.1883   -0.0066   3.29753
 95  1    93.2651   1.84240   1940.00   150.000   11.1913   0.00212   93.5797   -0.3146   0.17075   11.1989   -0.0077   3.61307
 96  1    93.4954   1.95440   2040.00   150.000   11.2110   0.00321   93.5505   -0.0551   0.02820   11.2123   -0.0014   0.42186
 97  1    93.6135   2.04400   2120.00   150.000   11.2302   0.00254   93.3923   0.22124   0.10824   11.2247   0.00547   2.15070
 98  1    93.7267   2.16720   2230.00   150.000   11.2543   0.00216   93.2817   0.44505   0.20536   11.2432   0.01110   5.14038
 99  1    94.0063   2.34640   2390.00   150.000   11.2760   0.00251   93.6652   0.34107   0.14536   11.2674   0.00859   3.42201
100  1    94.0082   2.44720   2480.00   150.000   11.3215   0.00372   92.5807   1.42747   0.58331   11.2851   0.03648   9.80711
<-------------------------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
101  1    94.2592   2.52560   2550.00   150.000   11.3215   0.00436   93.1295   1.12968   0.44729   11.2926   0.02891   6.63735
102  1    108.263   1.60720   1730.00   150.000   10.7922   0.00317   109.923   -1.6597   1.03264   10.8262   -0.0340   10.7325
103  1    108.554   1.68560   1800.00   150.000   10.7938   0.00283   110.385   -1.8309   1.08621   10.8314   -0.0376   13.2571
104  1    109.100   1.87600   1970.00   150.000   10.8120   0.00211   110.815   -1.7155   0.91447   10.8474   -0.0355   16.8309
105  1    109.347   1.61840   1740.00   150.000   10.7955   0.00192   109.835   -0.4878   0.30143   10.8055   -0.0100   5.18609
106  1    109.266   1.49520   1630.00   150.000   10.7872   0.00176   109.395   -0.1295   0.08663   10.7898   -0.0026   1.49590
107  1    109.210   1.39440   1540.00   150.000   10.7761   0.00180   109.248   -0.0376   0.02698   10.7768  -0.00076   0.42133
108  1    109.146   1.28240   1440.00   150.000   10.7658   0.00176   108.988   0.15848   0.12358   10.7626   0.00318   1.80425
109  1    109.052   1.17040   1340.00   150.000   10.7579   0.00195   108.610   0.44201   0.37766   10.7491   0.00882   4.53261
110  1    109.097   1.17040   1340.00   150.000   10.7562   0.00201   108.695   0.40198   0.34345   10.7482   0.00802   3.98038
111  1    109.504   1.57360   1700.00   150.000   10.7853   0.00200   110.028   -0.5240   0.33302   10.7960   -0.0106   5.33149
112  1    109.609   1.68560   1800.00   150.000   10.7947   0.00190   110.341   -0.7326   0.43463   10.8096   -0.0150   7.87736
113  1    109.780   1.74160   1850.00   150.000   10.7967   0.00186   110.629   -0.8487   0.48731   10.8141   -0.0174   9.33198
114  1    109.961   1.89840   1990.00   150.000   10.8103   0.00205   111.051   -1.0901   0.57423   10.8328   -0.0225   10.9375
115  1    110.057   1.98800   2070.00   150.000   10.8246   0.00238   110.977   -0.9206   0.46306   10.8437   -0.0191   8.00270
116  1    110.219   2.08880   2160.00   150.000   10.8499   0.00258   110.458   -0.2388   0.11433   10.8549   -0.0050   1.93567
117  1    110.303   2.18960   2250.00   150.000   10.8684   0.00300   110.275   0.02774   0.01267   10.8679   0.00058   0.19393
118  1    110.562   2.26800   2320.00   150.000   10.8737   0.00369   110.569   -0.0075   0.00329   10.8739  -0.00016   0.04293
119  1    110.756   2.36880   2410.00   150.000   10.8897   0.00549   110.518   0.23813   0.10053   10.8846   0.00505   0.92071
120  1    110.707   2.49200   2520.00   150.000   10.9341   0.00455   109.303   1.40392   0.56337   10.9039   0.03022   6.63576
121  1    110.928   2.57040   2590.00   150.000   10.9507   0.00494   109.089   1.83984   0.71578   10.9109   0.03982   8.06113
122  1    115.855   1.70800   1820.00   150.000   10.6051   0.00627   120.230   -4.3755   2.56180   10.6883   -0.0832   13.2791
123  1    116.306   1.71920   1830.00   150.000   10.5867   0.00644   121.295   -4.9893   2.90213   10.6811   -0.0943   14.6525
124  1    116.740   1.90960   2000.00   150.000   10.6019   0.00547   121.798   -5.0579   2.64869   10.6982   -0.0963   17.6047
125  1    117.407   1.97680   2060.00   150.000   10.6254   0.00423   121.009   -3.6019   1.82208   10.6943   -0.0689   16.2784
126  1    117.832   2.13360   2200.00   150.000   10.6403   0.00487   121.311   -3.4783   1.63026   10.7073   -0.0670   13.7593
127  1    118.498   2.30160   2350.00   150.000   10.6945   0.00651   119.657   -1.1590   0.50356   10.7171   -0.0226   3.47988
128  1    118.847   2.39120   2430.00   150.000   10.6958   0.00459   120.213   -1.3663   0.57140   10.7225   -0.0267   5.82136
129  1    118.550   1.90960   2000.00   150.000   10.6170   0.00962   120.990   -2.4399   1.27768   10.6633   -0.0463   4.80736
130  1    118.524   1.79760   1900.00   150.000   10.6004   0.00661   121.104   -2.5797   1.43509   10.6489   -0.0486   7.34230
131  1    118.494   1.68560   1800.00   150.000   10.5950   0.00854   120.617   -2.1232   1.25960   10.6348   -0.0398   4.65714
132  1    118.350   1.57360   1700.00   150.000   10.5935   0.00797   119.926   -1.5760   1.00153   10.6229   -0.0294   3.69598
133  1    118.373   1.46160   1600.00   150.000   10.5813   0.00963   119.809   -1.4364   0.98274   10.6080   -0.0267   2.77022
134  1    118.240   1.23760   1400.00   150.000   10.5803   0.00776   118.322   -0.0817   0.06602   10.5818   -0.0015   0.19416
135  1    128.752   1.15920   1330.00   150.000   10.4038   0.00358   127.757   0.99501   0.85836   10.3870   0.01684   4.69964
136  1    129.081   1.33840   1490.00   150.000   10.4080   0.00403   128.740   0.34093   0.25473   10.4022   0.00580   1.43686
137  1    129.340   1.52880   1660.00   150.000   10.4123   0.00374   129.797   -0.4568   0.29881   10.4201   -0.0078   2.08613
138  1    129.907   1.67440   1790.00   150.000   10.4083   0.00548   131.040   -1.1328   0.67654   10.4277   -0.0194   3.53581
139  1    130.211   1.82000   1920.00   150.000   10.4054   0.00417   132.217   -2.0065   1.10247   10.4398   -0.0344   8.24183
140  1    130.971   2.02160   2100.00   150.000   10.4075   0.00481   133.493   -2.5225   1.24779   10.4509   -0.0434   9.02855
141  1    131.695   2.17840   2240.00   150.000   10.4275   0.00481   133.413   -1.7180   0.78865   10.4572   -0.0297   6.17800
142  1    132.596   2.40240   2440.00   150.000   10.4586   0.00461   133.174   -0.5777   0.24048   10.4687   -0.0101   2.19100
143  1    148.509   1.20400   1370.00   150.000   10.0717   0.00428   149.216   -0.7077   0.58775   10.0820   -0.0103   2.40713
144  1    148.906   1.42800   1570.00   150.000   10.0720   0.00384   150.727   -1.8217   1.27568   10.0987   -0.0266   6.93618
145  1    149.347   1.60720   1730.00   150.000   10.0749   0.00383   151.765   -2.4180   1.50448   10.1104   -0.0355   9.27585
146  1    149.948   1.79760   1900.00   150.000   10.0739   0.00659   153.149   -3.2010   1.78072   10.1210   -0.0471   7.14579
147  1    39.0000   0.39000   300.000   5.00000   12.4836   0.06242   40.4814   -1.4814   3.79838   12.5468   -0.0632   1.01233
148  1    44.3000   0.44300   300.000   5.00000   12.3060   0.06153   44.8612   -0.5612   1.26677   12.3280   -0.0220   0.35816
149  1    112.300   1.12300   300.000   5.00000   10.5295   0.05265   113.209   -0.9086   0.80910   10.5458   -0.0164   0.31090
150  1    130.600   1.30600   300.000   5.00000   10.2750   0.05138   128.256   2.34450   1.79517   10.2380   0.03706   0.72132
<-------------------------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
151  1    148.500   1.48500   300.000   5.00000   10.0101   0.05005   145.958   2.54240   1.71206   9.97461   0.03546   0.70842
152  1    170.500   1.70500   300.000   5.00000   9.74209   0.04871   166.294   4.20596   2.46684   9.69076   0.05133   1.05379
153  1    185.500   1.85500   300.000   5.00000   9.47260   0.04736   189.609   -4.1086   2.21490   9.51757   -0.0450   0.94930
154  1    198.200   1.98200   300.000   5.00000   9.37926   0.04690   198.438   -0.2380   0.12008   9.38173   -0.0025   0.05247
155  1    214.500   2.14500   300.000   5.00000   9.23022   0.04615   213.424   1.07648   0.50185   9.21994   0.01029   0.22286
156  1    68.9000   0.68900   300.000   5.00000   11.5487   0.05774   67.7017   1.19833   1.73923   11.5150   0.03367   0.58317
157  1    84.8000   0.84800   300.000   5.00000   11.0745   0.05537   86.3216   -1.5216   1.79437   11.1097   -0.0352   0.63637
158  1    101.200   1.01200   300.000   5.00000   10.7342   0.05367   102.320   -1.1201   1.10686   10.7564   -0.0222   0.41350
159  1    70.3000   0.70300   300.000   5.00000   11.4749   0.05737   70.3499   -0.0499   0.07094   11.4763   -0.0014   0.02387
160  1    43.2000   0.43200   300.000   5.00000   12.3933   0.06197   42.6678   0.53220   1.23194   12.3718   0.02148   0.34666
161  1    49.3000   0.49300   300.000   5.00000   12.2051   0.06103   47.4967   1.80326   3.65774   12.1385   0.06663   1.09181
162  1    56.3000   0.56300   300.000   5.00000   11.8317   0.05916   58.2907   -1.9907   3.53581   11.8963   -0.0645   1.09109
163  1    58.9000   0.58900   300.000   5.00000   11.8377   0.05919   58.1026   0.79738   1.35379   11.8123   0.02543   0.42959
164  1    64.7000   0.64700   300.000   5.00000   11.6752   0.05838   63.3546   1.34542   2.07948   11.6353   0.03988   0.68324
165  1    67.2000   0.67200   300.000   5.00000   11.5863   0.05793   66.3829   0.81705   1.21584   11.5629   0.02339   0.40380
166  1    110.600   1.10600   300.000   5.00000   10.5445   0.05272   112.373   -1.7726   1.60275   10.5768   -0.0323   0.61215
167  1    120.100   1.20100   300.000   5.00000   10.3654   0.05183   122.708   -2.6081   2.17161   10.4092   -0.0438   0.84559

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

EOSFIT-7.6>fit
     167 data for V will be used in least-squares
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 12-mars-2024 at 18:44
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  15.3700           :Reference pressure volume: units are cm^3/mol
      K0:  115.490           :Bulk modulus: units are GPa
      Kp:  4.99000           :dK/dP: dimensionless
     Kpp: -0.0507            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   298.00 K
 
   ThMGD:  417.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.42(4)           :Gruneisen parameter at Tref,Pref
       q:  1.00000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 
    Do you want to change these EoS parameters or the EoS type? (Y/N) <N>?n

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

 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      1        15.98341          0.61341          0.09467           6.48
 K0      1        77.57380        -37.91619          6.31176          -6.01
 Kp      1         5.63357          0.64357          0.13873           4.64
 Kpp     0        -0.10559  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       416.99997  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.49055          0.07384          0.07482           0.99
 q       0         1.00000  [NOT REFINED]
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 298.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED


   RESULTS FROM CYCLE  2
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      1        16.20071          0.21730          0.60102           0.36
 K0      1        74.86742         -2.70638         25.97556          -0.10
 Kp      1         5.87817          0.24460          0.85129           0.29
 Kpp     0        -0.12415  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       416.99997  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.53316          0.04261          0.29936           0.14
 q       0         1.00000  [NOT REFINED]
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 298.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED


   RESULTS FROM CYCLE  3
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      1        16.20266          0.00196          0.14195           0.01
 K0      1        74.62418         -0.24324          5.87635          -0.04
 Kp      1         5.88485          0.00668          0.20272           0.03
 Kpp     0        -0.12498  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       416.99997  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.53462          0.00147          0.06732           0.02
 q       0         1.00000  [NOT REFINED]
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 298.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED


   RESULTS FROM CYCLE  4
 PARA REF          NEW            SHIFT            E.S.D.       SHIFT/ERROR
 V0      1        16.20277          0.00010          0.14188           0.00
 K0      1        74.61976         -0.00442          5.85635          -0.00
 Kp      1         5.88503          0.00018          0.20293           0.00
 Kpp     0        -0.12500  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       416.99997  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.53466          0.00003          0.06710           0.00
 q       0         1.00000  [NOT REFINED]
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 298.00
  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      1        16.20277          0.00010          0.14188           0.00
 K0      1        74.61976         -0.00442          5.85635          -0.00
 Kp      1         5.88503          0.00018          0.20293           0.00
 Kpp     0        -0.12500  [IMPLIED VALUE]
     Parameters for thermal model
 ThMGD   0       416.99997  [NOT REFINED]
 Natom   0         2.00000  [FIXED VALUE]
 Gamm0   1         2.53466          0.00003          0.06710           0.00
 q       0         1.00000  [NOT REFINED]
     Dataset scale factors
 Sca 1   0         1.00000  [FIXED VALUE]
  REFERENCE TEMPERATURE = 298.00
  UNIT WEIGHTS USED: NO W-CHI^2 CALCULATED

 INPUT <CR> TO CONTINUE

  THE 167 LOADED DATA ARE AS FOLLOWS:

     **********Scale factors in use: Calculated values have been scaled to observed values**********
<-------------------------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
  1  1    29.5964   1.29360   1450.00   150.000   13.6912   0.00301   29.1861   0.41032   0.31719   13.6603   0.03092   10.2814   1.0000000
  2  1    29.6173   1.38320   1530.00   150.000   13.7498   0.00330   29.0431   0.57417   0.41510   13.7055   0.04425   13.4110   1.0000000
  3  1    29.6810   1.47280   1610.00   150.000   13.7994   0.00363   29.0314   0.64961   0.44107   13.7483   0.05107   14.0813   1.0000000
  4  1    29.9049   1.58480   1710.00   150.000   13.8947   0.00426   28.6319   1.27301   0.80326   13.7916   0.10309   24.2178   1.0000000
  5  1    33.1277   1.09200   1270.00   150.000   13.3751   0.00163   32.2591   0.86862   0.79544   13.3183   0.05681   34.9414   1.0000000
  6  1    33.2312   1.18160   1350.00   150.000   13.4019   0.00199   32.4740   0.75718   0.64081   13.3517   0.05018   25.1842   1.0000000
  7  1    33.4179   1.31600   1470.00   150.000   13.4595   0.00519   32.5523   0.86564   0.65778   13.4008   0.05871   11.3106   1.0000000
  8  1    33.4179   1.31600   1470.00   150.000   13.4595   0.00519   32.5523   0.86564   0.65778   13.4008   0.05871   11.3106   1.0000000
  9  1    41.6518   1.03600   1220.00   150.000   12.8111   0.00274   41.5256   0.12627   0.12188   12.8045   0.00653   2.38016   1.0000000
 10  1    41.7693   1.15920   1330.00   150.000   12.8350   0.00263   41.9122   -0.1429   0.12324   12.8425   -0.0075   2.85314   1.0000000
 11  1    41.6736   1.26000   1420.00   150.000   12.8648   0.00241   42.0393   -0.3657   0.29020   12.8843   -0.0195   8.09046   1.0000000
 12  1    41.9291   1.36080   1510.00   150.000   12.9202   0.00185   41.7030   0.22608   0.16614   12.9079   0.01226   6.61590   1.0000000
 13  1    41.8033   1.43920   1580.00   150.000   12.9554   0.00343   41.6007   0.20267   0.14082   12.9442   0.01116   3.25407   1.0000000
 14  1    41.9176   1.50640   1640.00   150.000   12.9752   0.00226   41.7070   0.21062   0.13981   12.9635   0.01170   5.18366   1.0000000
 15  1    42.1986   1.62960   1750.00   150.000   13.0096   0.00374   41.9455   0.25308   0.15530   12.9954   0.01427   3.81942   1.0000000
 16  1    42.6556   1.78640   1890.00   150.000   13.0418   0.00396   42.4656   0.19006   0.10639   13.0309   0.01088   2.74802   1.0000000
 17  1    45.1681   1.06960   1250.00   150.000   12.6349   0.00424   45.2909   -0.1228   0.11479   12.6408   -0.0059   1.39102   1.0000000
 18  1    44.9994   1.17040   1340.00   150.000   12.6735   0.00406   45.1845   -0.1851   0.15815   12.6825   -0.0090   2.22876   1.0000000
 19  1    44.9909   1.24880   1410.00   150.000   12.6937   0.00419   45.3097   -0.3188   0.25528   12.7095   -0.0157   3.76103   1.0000000
 20  1    44.9010   1.38320   1530.00   150.000   12.7792   0.00235   44.5315   0.36950   0.26713   12.7604   0.01881   7.99868   1.0000000
 21  1    44.8590   1.52880   1660.00   150.000   12.8025   0.00322   45.0825   -0.2236   0.14623   12.8141   -0.0116   3.59938   1.0000000
 22  1    44.9072   1.64080   1760.00   150.000   12.8579   0.00294   44.7973   0.10991   0.06698   12.8521   0.00581   1.97508   1.0000000
 23  1    44.9390   1.74160   1850.00   150.000   12.9170   0.00362   44.3912   0.54785   0.31457   12.8875   0.02957   8.17266   1.0000000
 24  1    45.0022   1.84240   1940.00   150.000   12.9424   0.00392   44.6250   0.37715   0.20471   12.9217   0.02063   5.25631   1.0000000
 25  1    45.0678   1.90960   2000.00   150.000   12.9831   0.00433   44.3553   0.71243   0.37308   12.9436   0.03950   9.11816   1.0000000
 26  1    45.1985   2.02160   2100.00   150.000   13.0163   0.00520   44.5423   0.65622   0.32461   12.9793   0.03693   7.10529   1.0000000
 27  1    45.2392   2.12240   2190.00   150.000   13.1059   0.00466   43.6914   1.54779   0.72926   13.0164   0.08955   19.1996   1.0000000
 28  1    45.3343   2.23440   2290.00   150.000   13.1217   0.00493   44.2018   1.13249   0.50684   13.0554   0.06631   13.4570   1.0000000
 29  1    54.1843   1.03600   1220.00   150.000   12.2173   0.00381   54.6273   -0.4429   0.42754   12.2350   -0.0177   4.64413   1.0000000
 30  1    54.2740   1.08080   1260.00   150.000   12.2298   0.00219   54.6201   -0.3460   0.32015   12.2437   -0.0139   6.34167   1.0000000
 31  1    54.2970   1.17040   1340.00   150.000   12.2497   0.00200   54.7383   -0.4413   0.37704   12.2676   -0.0179   8.96722   1.0000000
 32  1    54.2284   1.27120   1430.00   150.000   12.2735   0.00174   54.8453   -0.6168   0.48524   12.2988   -0.0253   14.5318   1.0000000
 33  1    54.1407   1.32720   1480.00   150.000   12.3060   0.00205   54.4402   -0.2995   0.22566   12.3184   -0.0125   6.07111   1.0000000
 34  1    54.1687   1.43920   1580.00   150.000   12.3360   0.00247   54.4907   -0.3219   0.22369   12.3496   -0.0136   5.49847   1.0000000
 35  1    54.2215   1.55120   1680.00   150.000   12.3761   0.00333   54.3185   -0.0970   0.06254   12.3802   -0.0042   1.24902   1.0000000
 36  1    54.2202   1.62960   1750.00   150.000   12.4059   0.00459   54.1665   0.05377   0.03300   12.4036   0.00233   0.50723   1.0000000
 37  1    54.2211   1.69680   1810.00   150.000   12.4246   0.00480   54.2010   0.02007   0.01183   12.4237   0.00088   0.18239   1.0000000
 38  1    54.2430   1.77520   1880.00   150.000   12.4577   0.00387   53.9907   0.25228   0.14211   12.4466   0.01117   2.88330   1.0000000
 39  1    54.2302   1.84240   1940.00   150.000   12.4692   0.00403   54.1985   0.03168   0.01720   12.4678   0.00141   0.35121   1.0000000
 40  1    54.2358   1.93200   2020.00   150.000   12.4928   0.00415   54.2918   -0.0560   0.02900   12.4953   -0.0025   0.60874   1.0000000
 41  1    54.2892   2.04400   2120.00   150.000   12.5412   0.00433   54.0050   0.28429   0.13908   12.5281   0.01305   3.01165   1.0000000
 42  1    54.2243   2.13360   2200.00   150.000   12.5874   0.00492   53.6318   0.59248   0.27769   12.5598   0.02769   5.62531   1.0000000
 43  1    57.9981   1.12560   1300.00   150.000   12.0882   0.00309   58.5758   -0.5776   0.51318   12.1100   -0.0218   7.06347   1.0000000
 44  1    58.0563   1.24880   1410.00   150.000   12.1189   0.00340   58.6077   -0.5514   0.44151   12.1400   -0.0211   6.22091   1.0000000
 45  1    58.0852   1.30480   1460.00   150.000   12.1069   0.00322   59.3069   -1.2217   0.93632   12.1538   -0.0468   14.5513   1.0000000
 46  1    58.1264   1.37200   1520.00   150.000   12.1202   0.00278   59.4189   -1.2924   0.94202   12.1701   -0.0499   17.9307   1.0000000
 47  1    58.2363   1.49520   1630.00   150.000   12.1343   0.00286   59.9005   -1.6643   1.11307   12.1991   -0.0648   22.6455   1.0000000
 48  1    58.3077   1.57360   1700.00   150.000   12.1412   0.00285   60.2610   -1.9533   1.24130   12.2177   -0.0765   26.8118   1.0000000
 49  1    58.5404   1.65200   1770.00   150.000   12.1615   0.00263   60.2752   -1.7348   1.05010   12.2300   -0.0685   25.9998   1.0000000
 50  1    58.6663   1.74160   1850.00   150.000   12.2155   0.00254   59.5227   -0.8564   0.49173   12.2499   -0.0344   13.5309   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
 51  1    58.8002   1.83120   1930.00   150.000   12.2293   0.00340   59.7959   -0.9957   0.54375   12.2696   -0.0403   11.8463   1.0000000
 52  1    58.8179   1.92080   2010.00   150.000   12.2410   0.00282   60.1243   -1.3064   0.68013   12.2943   -0.0533   18.8706   1.0000000
 53  1    58.9342   1.98800   2070.00   150.000   12.2517   0.00379   60.3233   -1.3891   0.69873   12.3087   -0.0570   15.0308   1.0000000
 54  1    59.1212   2.11120   2180.00   150.000   12.2582   0.00401   61.0181   -1.8968   0.89846   12.3365   -0.0784   19.5420   1.0000000
 55  1    59.2891   2.18960   2250.00   150.000   12.2825   0.00503   60.9638   -1.6747   0.76486   12.3524   -0.0698   13.8742   1.0000000
 56  1    59.3838   2.27920   2330.00   150.000   12.2960   0.00797   61.2586   -1.8748   0.82257   12.3748   -0.0788   9.88605   1.0000000
 57  1    63.7709   1.12560   1300.00   150.000   11.9336   0.00325   62.8336   0.93728   0.83270   11.9010   0.03262   10.0292   1.0000000
 58  1    63.6024   1.17040   1340.00   150.000   11.9445   0.00340   62.8318   0.77063   0.65843   11.9175   0.02699   7.93411   1.0000000
 59  1    63.4838   1.26000   1420.00   150.000   11.9511   0.00291   63.2584   0.22541   0.17889   11.9431   0.00795   2.73642   1.0000000
 60  1    63.4353   1.32720   1480.00   150.000   11.9541   0.00321   63.6343   -0.1990   0.14991   11.9611   -0.0071   2.19537   1.0000000
 61  1    63.4263   1.40560   1550.00   150.000   11.9585   0.00173   64.0485   -0.6222   0.44262   11.9806   -0.0222   12.8462   1.0000000
 62  1    63.4708   1.49520   1630.00   150.000   11.9638   0.00191   64.5149   -1.0441   0.69832   12.0012   -0.0374   19.5768   1.0000000
 63  1    63.4788   1.55120   1680.00   150.000   11.9712   0.00200   64.6914   -1.2126   0.78173   12.0149   -0.0437   21.8436   1.0000000
 64  1    63.4561   1.64080   1760.00   150.000   11.9931   0.00234   64.6976   -1.2415   0.75666   12.0383   -0.0452   19.3358   1.0000000
 65  1    63.4578   1.71920   1830.00   150.000   12.0148   0.00190   64.6392   -1.1814   0.68716   12.0583   -0.0434   22.8789   1.0000000
 66  1    63.4820   1.79760   1900.00   150.000   12.0369   0.00200   64.5766   -1.0947   0.60896   12.0775   -0.0406   20.3538   1.0000000
 67  1    63.4522   1.88720   1980.00   150.000   12.0586   0.00209   64.6083   -1.1561   0.61259   12.1020   -0.0433   20.7363   1.0000000
 68  1    63.5647   1.97680   2060.00   150.000   12.0860   0.00276   64.4950   -0.9303   0.47063   12.1213   -0.0352   12.7854   1.0000000
 69  1    63.7663   2.11120   2180.00   150.000   12.1086   0.00246   64.8280   -1.0617   0.50290   12.1492   -0.0407   16.5271   1.0000000
 70  1    63.8600   2.22320   2280.00   150.000   12.1319   0.00476   64.9918   -1.1319   0.50912   12.1758   -0.0439   9.22487   1.0000000
 71  1    63.9175   2.32400   2370.00   150.000   12.1586   0.00333   64.9999   -1.0825   0.46578   12.2010   -0.0424   12.7323   1.0000000
 72  1    64.2285   2.38000   2420.00   150.000   12.1793   0.00397   64.8567   -0.6282   0.26394   12.2041   -0.0248   6.23767   1.0000000
 73  1    64.2644   2.48080   2510.00   150.000   12.2193   0.00305   64.5450   -0.2806   0.11312   12.2305   -0.0112   3.68038   1.0000000
 74  1    64.1073   2.51440   2540.00   150.000   12.2414   0.00389   64.2274   -0.1201   0.04777   12.2462   -0.0048   1.24648   1.0000000
 75  1    83.7593   1.26000   1420.00   150.000   11.3320   0.00310   83.5046   0.25475   0.20219   11.3253   0.00676   2.18356   1.0000000
 76  1    83.8346   1.33840   1490.00   150.000   11.3408   0.00342   83.7107   0.12389   0.09257   11.3375   0.00331   0.96631   1.0000000
 77  1    83.9210   1.41680   1560.00   150.000   11.3793   0.00341   82.8182   1.10281   0.77838   11.3496   0.02978   8.74068   1.0000000
 78  1    84.2479   1.55120   1680.00   150.000   11.3832   0.00317   83.5996   0.64829   0.41793   11.3656   0.01759   5.55231   1.0000000
 79  1    84.3992   1.61840   1740.00   150.000   11.3958   0.00245   83.6013   0.79797   0.49306   11.3740   0.02175   8.87063   1.0000000
 80  1    84.4442   1.69680   1810.00   150.000   11.4169   0.00298   83.3736   1.07061   0.63096   11.3875   0.02943   9.86553   1.0000000
 81  1    84.4649   1.77520   1880.00   150.000   11.4405   0.00254   83.0660   1.39896   0.78806   11.4017   0.03879   15.2526   1.0000000
 82  1    84.4635   1.86480   1960.00   150.000   11.4697   0.00311   82.6469   1.81658   0.97414   11.4188   0.05092   16.3664   1.0000000
 83  1    84.4695   1.97680   2060.00   150.000   11.4935   0.00347   82.5849   1.88453   0.95332   11.4401   0.05338   15.3657   1.0000000
 84  1    84.3718   2.10000   2170.00   150.000   11.5201   0.00710   82.5157   1.85612   0.88387   11.4668   0.05323   7.50187   1.0000000
 85  1    84.3526   2.17840   2240.00   150.000   11.5093   0.00636   83.4311   0.92150   0.42302   11.4828   0.02646   4.16204   1.0000000
 86  1    84.3375   2.27920   2330.00   150.000   11.5127   0.00536   84.0091   0.32838   0.14408   11.5032   0.00948   1.76713   1.0000000
 87  1    84.6732   2.40240   2440.00   150.000   11.5493   0.00623   83.6061   1.06713   0.44419   11.5182   0.03118   5.00539   1.0000000
 88  1    84.6227   2.48080   2510.00   150.000   11.5593   0.00717   83.8123   0.81045   0.32669   11.5355   0.02384   3.32223   1.0000000
 89  1    92.4086   1.47280   1610.00   150.000   11.2251   0.00678   89.0851   3.32346   2.25656   11.1426   0.08246   12.1547   1.0000000
 90  1    92.4186   1.69680   1810.00   150.000   11.2227   0.00358   90.7177   1.70095   1.00245   11.1802   0.04256   11.8956   1.0000000
 91  1    92.8268   1.80880   1910.00   150.000   11.2112   0.00237   91.9472   0.87954   0.48626   11.1892   0.02200   9.28656   1.0000000
 92  1    92.8125   1.57360   1700.00   150.000   11.1687   0.00178   92.0369   0.77562   0.49289   11.1496   0.01902   10.6808   1.0000000
 93  1    92.7971   1.46160   1600.00   150.000   11.1515   0.00176   91.9668   0.83028   0.56806   11.1313   0.02019   11.4939   1.0000000
 94  1    93.0799   1.75280   1860.00   150.000   11.1817   0.00201   92.7429   0.33699   0.19226   11.1733   0.00834   4.14692   1.0000000
 95  1    93.2651   1.84240   1940.00   150.000   11.1913   0.00212   92.9738   0.29135   0.15814   11.1840   0.00724   3.41649   1.0000000
 96  1    93.4954   1.95440   2040.00   150.000   11.2110   0.00321   92.9583   0.53709   0.27481   11.1975   0.01346   4.19833   1.0000000
 97  1    93.6135   2.04400   2120.00   150.000   11.2302   0.00254   92.8148   0.79874   0.39078   11.2100   0.02017   7.93418   1.0000000
 98  1    93.7267   2.16720   2230.00   150.000   11.2543   0.00216   92.7226   1.00416   0.46334   11.2287   0.02561   11.8579   1.0000000
 99  1    94.0063   2.34640   2390.00   150.000   11.2760   0.00251   93.1199   0.88637   0.37776   11.2531   0.02285   9.10054   1.0000000
100  1    94.0082   2.44720   2480.00   150.000   11.3215   0.00372   92.0785   1.92971   0.78854   11.2710   0.05050   13.5782   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
101  1    94.2592   2.52560   2550.00   150.000   11.3215   0.00436   92.6237   1.63548   0.64756   11.2786   0.04288   9.84316   1.0000000
102  1    108.263   1.60720   1730.00   150.000   10.7922   0.00317   108.997   -0.7338   0.45660   10.8073   -0.0152   4.79100   1.0000000
103  1    108.554   1.68560   1800.00   150.000   10.7938   0.00283   109.456   -0.9017   0.53493   10.8125   -0.0187   6.59101   1.0000000
104  1    109.100   1.87600   1970.00   150.000   10.8120   0.00211   109.888   -0.7878   0.41995   10.8284   -0.0164   7.80693   1.0000000
105  1    109.347   1.61840   1740.00   150.000   10.7955   0.00192   108.911   0.43636   0.26962   10.7865   0.00898   4.68209   1.0000000
106  1    109.266   1.49520   1630.00   150.000   10.7872   0.00176   108.473   0.79277   0.53021   10.7709   0.01623   9.23985   1.0000000
107  1    109.210   1.39440   1540.00   150.000   10.7761   0.00180   108.325   0.88551   0.63504   10.7580   0.01802   10.0128   1.0000000
108  1    109.146   1.28240   1440.00   150.000   10.7658   0.00176   108.066   1.08059   0.84263   10.7439   0.02186   12.4024   1.0000000
109  1    109.052   1.17040   1340.00   150.000   10.7579   0.00195   107.691   1.36095   1.16280   10.7306   0.02738   14.0682   1.0000000
110  1    109.097   1.17040   1340.00   150.000   10.7562   0.00201   107.775   1.32195   1.12948   10.7296   0.02658   13.1972   1.0000000
111  1    109.504   1.57360   1700.00   150.000   10.7853   0.00200   109.100   0.40436   0.25696   10.7770   0.00829   4.15176   1.0000000
112  1    109.609   1.68560   1800.00   150.000   10.7947   0.00190   109.413   0.19605   0.11631   10.7906   0.00404   2.12742   1.0000000
113  1    109.780   1.74160   1850.00   150.000   10.7967   0.00186   109.698   0.08190   0.04703   10.7950   0.00169   0.90940   1.0000000
114  1    109.961   1.89840   1990.00   150.000   10.8103   0.00205   110.121   -0.1602   0.08437   10.8137   -0.0033   1.62315   1.0000000
115  1    110.057   1.98800   2070.00   150.000   10.8246   0.00238   110.052   0.00436   0.00219   10.8245   0.00009   0.03762   1.0000000
116  1    110.219   2.08880   2160.00   150.000   10.8499   0.00258   109.546   0.67331   0.32234   10.8357   0.01421   5.51468   1.0000000
117  1    110.303   2.18960   2250.00   150.000   10.8684   0.00300   109.371   0.93131   0.42533   10.8486   0.01981   6.59321   1.0000000
118  1    110.562   2.26800   2320.00   150.000   10.8737   0.00369   109.666   0.89606   0.39509   10.8546   0.01911   5.18328   1.0000000
119  1    110.756   2.36880   2410.00   150.000   10.8897   0.00549   109.621   1.13451   0.47894   10.8653   0.02436   4.43846   1.0000000
120  1    110.707   2.49200   2520.00   150.000   10.9341   0.00455   108.435   2.27161   0.91156   10.8846   0.04952   10.8710   1.0000000
121  1    110.928   2.57040   2590.00   150.000   10.9507   0.00494   108.231   2.69771   1.04953   10.8916   0.05914   11.9718   1.0000000
122  1    115.855   1.70800   1820.00   150.000   10.6051   0.00627   119.193   -3.3379   1.95426   10.6689   -0.0638   10.1814   1.0000000
123  1    116.306   1.71920   1830.00   150.000   10.5867   0.00644   120.249   -3.9428   2.29341   10.6616   -0.0749   11.6340   1.0000000
124  1    116.740   1.90960   2000.00   150.000   10.6019   0.00547   120.748   -4.0074   2.09857   10.6786   -0.0767   14.0201   1.0000000
125  1    117.407   1.97680   2060.00   150.000   10.6254   0.00423   119.966   -2.5589   1.29447   10.6746   -0.0492   11.6271   1.0000000
126  1    117.832   2.13360   2200.00   150.000   10.6403   0.00487   120.267   -2.4345   1.14104   10.6874   -0.0471   9.68575   1.0000000
127  1    118.498   2.30160   2350.00   150.000   10.6945   0.00651   118.634   -0.1358   0.05902   10.6971   -0.0027   0.41057   1.0000000
128  1    118.847   2.39120   2430.00   150.000   10.6958   0.00459   119.186   -0.3396   0.14201   10.7025   -0.0067   1.45674   1.0000000
129  1    118.550   1.90960   2000.00   150.000   10.6170   0.00962   119.947   -1.3965   0.73128   10.6436   -0.0266   2.76486   1.0000000
130  1    118.524   1.79760   1900.00   150.000   10.6004   0.00661   120.059   -1.5348   0.85378   10.6294   -0.0290   4.38753   1.0000000
131  1    118.494   1.68560   1800.00   150.000   10.5950   0.00854   119.576   -1.0823   0.64207   10.6154   -0.0204   2.38382   1.0000000
132  1    118.350   1.57360   1700.00   150.000   10.5935   0.00797   118.891   -0.5412   0.34389   10.6036   -0.0101   1.27413   1.0000000
133  1    118.373   1.46160   1600.00   150.000   10.5813   0.00963   118.776   -0.4033   0.27590   10.5888   -0.0075   0.78058   1.0000000
134  1    118.240   1.23760   1400.00   150.000   10.5803   0.00776   117.304   0.93633   0.75657   10.5630   0.01733   2.23303   1.0000000
135  1    128.752   1.15920   1330.00   150.000   10.4038   0.00358   126.690   2.06229   1.77907   10.3690   0.03485   9.72636   1.0000000
136  1    129.081   1.33840   1490.00   150.000   10.4080   0.00403   127.660   1.42097   1.06170   10.3839   0.02413   5.98120   1.0000000
137  1    129.340   1.52880   1660.00   150.000   10.4123   0.00374   128.705   0.63510   0.41542   10.4015   0.01085   2.89775   1.0000000
138  1    129.907   1.67440   1790.00   150.000   10.4083   0.00548   129.938   -0.0310   0.01852   10.4088  -0.00053   0.09656   1.0000000
139  1    130.211   1.82000   1920.00   150.000   10.4054   0.00417   131.106   -0.8954   0.49197   10.4207   -0.0153   3.67532   1.0000000
140  1    130.971   2.02160   2100.00   150.000   10.4075   0.00481   132.372   -1.4007   0.69286   10.4315   -0.0241   5.01048   1.0000000
141  1    131.695   2.17840   2240.00   150.000   10.4275   0.00481   132.288   -0.5923   0.27188   10.4377   -0.0102   2.12901   1.0000000
142  1    132.596   2.40240   2440.00   150.000   10.4586   0.00461   132.045   0.55130   0.22948   10.4489   0.00964   2.09148   1.0000000
143  1    148.509   1.20400   1370.00   150.000   10.0717   0.00428   148.171   0.33731   0.28016   10.0668   0.00487   1.13720   1.0000000
144  1    148.906   1.42800   1570.00   150.000   10.0720   0.00384   149.665   -0.7594   0.53182   10.0830   -0.0110   2.86598   1.0000000
145  1    149.347   1.60720   1730.00   150.000   10.0749   0.00383   150.690   -1.3426   0.83538   10.0944   -0.0195   5.10482   1.0000000
146  1    149.948   1.79760   1900.00   150.000   10.0739   0.00659   152.062   -2.1142   1.17612   10.1047   -0.0308   4.67802   1.0000000
147  1    39.0000   0.39000   300.000   5.00000   12.4836   0.06242   41.6427   -2.6427   6.77604   12.6046   -0.1209   1.93771   1.0000000
148  1    44.3000   0.44300   300.000   5.00000   12.3060   0.06153   45.7899   -1.4899   3.36312   12.3682   -0.0622   1.01120   1.0000000
149  1    112.300   1.12300   300.000   5.00000   10.5295   0.05265   112.390   -0.0896   0.07981   10.5311   -0.0016   0.03076   1.0000000
150  1    130.600   1.30600   300.000   5.00000   10.2750   0.05138   127.400   3.20049   2.45061   10.2247   0.05035   0.98014   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
151  1    148.500   1.48500   300.000   5.00000   10.0101   0.05005   145.178   3.32199   2.23703   9.96424   0.04583   0.91569   1.0000000
152  1    170.500   1.70500   300.000   5.00000   9.74209   0.04871   165.744   4.75560   2.78921   9.68502   0.05707   1.17161   1.0000000
153  1    185.500   1.85500   300.000   5.00000   9.47260   0.04736   189.488   -3.9884   2.15008   9.51531   -0.0427   0.90172   1.0000000
154  1    198.200   1.98200   300.000   5.00000   9.37926   0.04690   198.522   -0.3223   0.16263   9.38252   -0.0033   0.06937   1.0000000
155  1    214.500   2.14500   300.000   5.00000   9.23022   0.04615   213.904   0.59569   0.27771   9.22468   0.00554   0.12004   1.0000000
156  1    68.9000   0.68900   300.000   5.00000   11.5487   0.05774   67.6968   1.20322   1.74633   11.5138   0.03490   0.60443   1.0000000
157  1    84.8000   0.84800   300.000   5.00000   11.0745   0.05537   85.8397   -1.0396   1.22600   11.0990   -0.0245   0.44266   1.0000000
158  1    101.200   1.01200   300.000   5.00000   10.7342   0.05367   101.593   -0.3928   0.38817   10.7421   -0.0078   0.14615   1.0000000
159  1    70.3000   0.70300   300.000   5.00000   11.4749   0.05737   70.2631   0.03687   0.05244   11.4739   0.00104   0.01813   1.0000000
160  1    43.2000   0.43200   300.000   5.00000   12.3933   0.06197   43.7105   -0.5105   1.18182   12.4152   -0.0220   0.35451   1.0000000
161  1    49.3000   0.49300   300.000   5.00000   12.2051   0.06103   48.2947   1.00534   2.03924   12.1658   0.03924   0.64304   1.0000000
162  1    56.3000   0.56300   300.000   5.00000   11.8317   0.05916   58.6184   -2.3184   4.11794   11.9103   -0.0785   1.32760   1.0000000
163  1    58.9000   0.58900   300.000   5.00000   11.8377   0.05919   58.4377   0.46229   0.78487   11.8224   0.01538   0.25976   1.0000000
164  1    64.7000   0.64700   300.000   5.00000   11.6752   0.05838   63.4950   1.20504   1.86250   11.6381   0.03703   0.63426   1.0000000
165  1    67.2000   0.67200   300.000   5.00000   11.5863   0.05793   66.4206   0.77939   1.15980   11.5633   0.02306   0.39812   1.0000000
166  1    110.600   1.10600   300.000   5.00000   10.5445   0.05272   111.559   -0.9588   0.86691   10.5620   -0.0175   0.33209   1.0000000
167  1    120.100   1.20100   300.000   5.00000   10.3654   0.05183   121.854   -1.7543   1.46072   10.3948   -0.0294   0.56799   1.0000000

  FITTING STATISTICS FOR 4 PARAMETERS FITTED TO 167 DATA:
      MAXIMUM DELTA-PRESSURE= 4.756


CORRELATION COEFFICIENTS (IN %)
  VARIABLE      V0        K0        Kp        Gamm0
    V0   :     100.0     -98.0      91.3      22.8
    K0   :     -98.0     100.0     -97.5     -38.5
    Kp   :      91.3     -97.5     100.0      52.1
    Gamm0:      22.8     -38.5      52.1     100.0


  VARIANCE-COVARIANCE MATRIX RESCALED
  VARIABLE     V0        K0        Kp        Gamm0
    V0   :   0.02013  -0.81443   0.02627   0.00217
    K0   :  -0.81443  34.29683  -1.15850  -0.15128
    Kp   :   0.02627  -1.15850   0.04118   0.00710
    Gamm0:   0.00217  -0.15128   0.00710   0.00450

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

EOSFIT-7.6>save /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/without-own-cold-joint-unit/fitted.eos
 
 
  EOS Information
-------------------
 
    Title: 
Eos Saved: 12-mars-2024 at 18:44
 
   System: 
    Class: Volume
   Pscale: GPa
   Vscale: cm^3/mol
   Stoichiometry:            1.000
 
  Compressibility
-------------------
 
    Model: Birch-Murnaghan
    Order:  3
   Pressure of reference:    0.000
 
      V0:  16.20(14)         :Reference pressure volume: units are cm^3/mol
      K0:  75(6)             :Bulk modulus: units are GPa
      Kp:  5.9(2)            :dK/dP: dimensionless
     Kpp: -0.1250            :d2K/dP2: units are inverse GPa [IMPLIED VALUE]
 
 
  Thermal Expansion
-------------------
 
   Model: Mie-Gruneisen-Debye
 
   Temperature of reference:   298.00 K
 
   ThMGD:  417.000           :Debye temperature in K
   Natom:  2.00000           :Number of atoms per formula unit [FIXED VALUE]
   Gamm0:  2.53(7)           :Gruneisen parameter at Tref,Pref
       q:  1.00000           :Gruneisen power law in V/V0
 
  Scale factors for data groups
---------------------------------
   Sca 1:  1.00000           :Scale factor for data group 1 [FIXED VALUE]
 

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


Successfully opened file for eos
Named /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/without-own-cold-joint-unit/fitted.eos


     Eos parameters written to file /Users/clemens/Programming/peritheos/docs/data/fes-author-eosfit/without-own-cold-joint-unit/fitted.eos


EOSFIT-7.6>exit
