*********************************************************************************************************************** * * * 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: 15-MAR-2023 08:41 * * * *********************************************************************************************************************** EosFit parameter file This is a fixed-format file. If you edit this file, make sure you do not move anything! It is safer to change the parameters by loading the file to EosFit, and saving the file after making changes ____________________________________________________________________________________________________________ Title =Almandine qcompMGD: Angel et al (2022), doi: 10.1007/s00410-022-01918-5 Savedate =15-MAR-2023 at 08:41 Comment =Fitted to Armbruster 100K datum, plus Skinner (1956) data with T rescaled according to mismatch of pyrope and gross data Comment =Fitted to PV data of Milani et al (2015) with pressures rescaled to Scheidl quartz eos Comment =and PV data of Zhang et al (1999), with Ne data scaled with scale #2 Comment =Ks data at PT of Arimoto et al (2015) up to and including 1100K. Comment =High T data excluded because they force q >> 1 Comment =room PT datum of Arimoto et al (2015) not consistent with others, used unscaled Comment =Shear modulus G0 from cij of Jiang et al (2004) JGR, rescaled to match K0T of EoS (see EntraPT documentation) Comment =Derivatives of shear modulus from Arimoto et al (2015) System =cubic Model = 2, (Birch-Murnaghan) Order = 3 Thermal = 7, (Mie-Gruneisen-Debye) Cross = 0, (none) Trans = 0, (none) Shear = 1, (Polynomial) Angles = 0 Pref = 0.00000 Tref = 298.00000 Pscale =GPa Vscale =cm^3/mol Osc2 = 0, (none) Osc3 = 0, (none) Type = Volume Stoich = 1.00000 Param = 1 115.250 (V0 , Reference pressure volume: units are cm^3/mol) Param = 2 174.602 (K0 , Bulk modulus: units are GPa) Param = 3 5.41397 (Kp , dK/dP: dimensionless) Param = 4 -0.0418 (Kpp , d2K/dP2: units are inverse GPa) Param = 5 0.00000 Param = 6 0.00000 Param = 7 0.00000 Param = 8 0.00000 Param = 9 0.00000 Param =10 0.00000 Param =11 862.164 (ThMGD, Debye temperature in K) Param =12 0.00000 Param =13 20.0000 (Natom, Number of atoms per formula unit) Param =14 1.00000 Param =15 0.00000 Param =16 0.00000 Param =17 0.00000 Param =18 1.16000 (Gamm0, Gruneisen parameter at Tref,Pref) Param =19 0.00000 Param =20 0.00000 Param =21 0.00000 Param =22 0.00000 Param =23 0.00000 Param =24 0.00000 Param =25 0.00000 Param =26 0.00000 Param =27 0.00000 Param =28 0.00000 Param =29 0.00000 Param =30 95.3500 (G0 , Shear modulus at Pref, Tref, in pressure units) Param =31 1.06000 (dG/dP, Pressure derivative of shear modulus: no units) Param =32 0.00000 (d2G/ , 2nd Pressure derivative of shear modulus: P^-1) Param =33 0.00000 (d3G/ , 3rd Pressure derivative of shear modulus: P^-2) Param =34 -0.0126 (dG/dT, Temperature derivative of shear modulus) Param =35 0.00000 Param =36 0.00000 Param =37 0.00000 Param =38 0.00000 Param =39 0.00000 Param =40 0.00000 Param =41 298.000 Param =42 1.00000 Param =43 0.00000 Param =44 0.00000 Param =45 0.00000 Param =46 298.000 Param =47 1.00000 Param =48 0.00000 Param =49 0.00000 Param =50 1.00000 Param =51 1.00000 Param =52 1.00143 Param =53 1.00000 Param =54 1.00000 Param =55 0.94137 Param =56 1.00000 Param =57 1.00000 Param =58 1.00000 Param =59 1.00000 Variance-Covariance matrix= 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.15563E+00-0.40187E-01 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