------------------------------------
Reading input data for simulation 1.
------------------------------------

	KNOBS
	step_size 10
	pe_step_size   2
	SOLUTION 0  CaCl2
	        units            mmol/kgw
	        temp             25.0
	        pH               7.0     charge
	        pe               12.5    O2(g)   -0.68
	        Ca               0.6
	        Cl               1.2
	SOLUTION 1  Initial solution for column
	        units            mmol/kgw
	        temp             25.0
	        pH               7.0     charge
	        pe               12.5    O2(g)   -0.68
	        Na               1.0
	        K                0.2
	        N(5)             1.2
	END
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------

Initial solution 0.	CaCl2

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Ca                6.000e-04   6.000e-04
	Cl                1.200e-03   1.200e-03

----------------------------Description of solution----------------------------

                                       pH  =   6.995      Charge balance
                                       pe  =  13.632      Equilibrium with O2(g)
     Specific Conductance (µS/cm,  25°C)  = 152
                         Density (g/cm³)  =   0.99710
                               Volume (L)  =   1.00298
                        Viscosity (mPa s)  =   0.89067
                        Activity of water  =   1.000
                 Ionic strength (mol/kgw)  =   1.800e-03
                       Mass of water (kg)  =   1.000e+00
                 Total alkalinity (eq/kg)  =   2.687e-21
                        Temperature (°C)  =  25.00
                  Electrical balance (eq)  =   4.260e-18
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                               Iterations  =   4
                                  Total H  = 1.110124e+02
                                  Total O  = 5.550675e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   H+              1.057e-07   1.012e-07    -6.976    -6.995    -0.019      0.00
   OH-             1.049e-07   1.001e-07    -6.979    -7.000    -0.021     -4.10
   H2O             5.551e+01   1.000e+00     1.744    -0.000     0.000     18.07
Ca            6.000e-04
   Ca+2            6.000e-04   4.983e-04    -3.222    -3.302    -0.081    -18.10
   CaOH+           8.570e-10   8.175e-10    -9.067    -9.087    -0.020     (0)  
Cl            1.200e-03
   Cl-             1.200e-03   1.144e-03    -2.921    -2.941    -0.021     18.08
   HCl             3.981e-11   3.988e-11   -10.400   -10.399     0.001     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -44.404   -44.404     0.000     28.61
O(0)          5.351e-04
   O2              2.675e-04   2.676e-04    -3.573    -3.572     0.000     30.40

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(298 K,   1 atm)

  H2(g)           -41.30    -44.40   -3.10  H2
  H2O(g)           -1.50     -0.00    1.50  H2O
  O2(g)            -0.68     -3.57   -2.89  O2	 Pressure   0.2 atm, phi 1.000

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

Initial solution 1.	Initial solution for column

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	K                 2.000e-04   2.000e-04
	N(5)              1.200e-03   1.200e-03
	Na                1.000e-03   1.000e-03

----------------------------Description of solution----------------------------

                                       pH  =   6.997      Charge balance
                                       pe  =  13.630      Equilibrium with O2(g)
     Specific Conductance (µS/cm,  25°C)  = 145
                         Density (g/cm³)  =   0.99711
                               Volume (L)  =   1.00301
                        Viscosity (mPa s)  =   0.89020
                        Activity of water  =   1.000
                 Ionic strength (mol/kgw)  =   1.200e-03
                       Mass of water (kg)  =   1.000e+00
                 Total alkalinity (eq/kg)  =  -9.247e-19
                        Temperature (°C)  =  25.00
                  Electrical balance (eq)  =  -9.243e-17
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                               Iterations  =   3 (7 overall)
                                  Total H  = 1.110124e+02
                                  Total O  = 5.551035e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   H+              1.045e-07   1.007e-07    -6.981    -6.997    -0.016      0.00
   OH-             1.045e-07   1.005e-07    -6.981    -6.998    -0.017     -4.10
   H2O             5.551e+01   1.000e+00     1.744    -0.000     0.000     18.07
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -44.404   -44.404     0.000     28.61
K             2.000e-04
   K+              2.000e-04   1.923e-04    -3.699    -3.716    -0.017      9.01
N(5)          1.200e-03
   NO3-            1.200e-03   1.154e-03    -2.921    -2.938    -0.017     29.49
Na            1.000e-03
   Na+             1.000e-03   9.621e-04    -3.000    -3.017    -0.017     -1.47
   NaOH            9.666e-21   9.668e-21   -20.015   -20.015     0.000     (0)  
O(0)          5.351e-04
   O2              2.676e-04   2.676e-04    -3.573    -3.572     0.000     30.40

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(298 K,   1 atm)

  H2(g)           -41.30    -44.40   -3.10  H2
  H2O(g)           -1.50     -0.00    1.50  H2O
  O2(g)            -0.68     -3.57   -2.89  O2	 Pressure   0.2 atm, phi 1.000

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

	EXCHANGE 1
	NaX 1
	END
------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 3.
------------------------------------

	EQUILIBRIUM_PHASES 1
	Calcite 0 1
	Dolomite 0 1
	Goethite 0 0.5
	END
------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 4.
------------------------------------

	SURFACE 1
	    Hfo_wOH Goethite        equilibrium_phase 0.1    600
	    Hfo_sOH Goethite        equilibrium_phase 0.01
	END
------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 5.
------------------------------------

	SOLID_SOLUTIONS 1
	    Sulfate
	        component Anhydrite 0.2
	        component Barite 0.001
	GAS_PHASE 1
	fixed_volume
	CO2(g) 0.3
	Ntg(g) 0.7
	END
------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 6.
------------------------------------

	KINETICS 1
	K-feldspar
	  m0 2.18            # 10% Kspar, 0.1 mm cubes
	  m  2.18            # Moles per L pore space
	  parms 6.41  0.1    # m^2/mol Kspar, fraction adjusts lab rate to field rate
	END
------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 7.
------------------------------------

	CALCULATE_VALUES
	SAR
	10 if [TOT("Ca") + TOT("Mg")] > 0 THEN SAR = TOT("Na") / SQRT(0.5*[TOT("Ca") + TOT("Mg")])       ELSE SAR = 1e4
	20 SAVE SAR
	USER_PRINT
	10 PRINT "SAR: ", CALC_VALUE("SAR")
	END
------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 8.
------------------------------------

	RUN_CELLS
	-cells 1
	-time 0
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 1.	Initial solution for column
Using exchange 1.	
Using surface 1.	
Using pure phase assemblage 1.	
Using solid solution assemblage 1.	
Using gas phase 1.	
Using kinetics 1.	

Kinetics 1.	

	Time step: 0 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -0.000e+00   2.180e+00   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    2.8073e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.69      atmospheres          (Peng-Robinson calculation)
    Gas volume:   1.00e+00 liters
  Molar volume:   3.53e+01 liters/mole
   P * Vm / RT:  0.99968  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.58   2.623e-03  0.997   1.228e-02   1.072e-04  -1.217e-02
Ntg(g)            -0.16   6.907e-01  1.000   2.866e-02   2.824e-02  -4.169e-04

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.48     -8.48    1.000e+00   1.133e+00   1.328e-01
Dolomite          0.00   -17.08    -17.08    1.000e+00   9.309e-01  -6.907e-02
Goethite         -0.00    -1.00     -1.00    5.000e-01   5.000e-01  -3.513e-14

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     5.56e-03
                              Anhydrite     4.56e-03    -1.95e-01     8.20e-01
                                 Barite     1.00e-03    -1.29e-07     1.80e-01

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	  7.312e-05  Surface charge, eq
	  2.352e-02  sigma, C/m²
	  1.539e-02  psi, V
	 -5.991e-01  -F*psi/RT
	  5.493e-01  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  3.000e+02  m² for   5.000e-01 moles of Goethite


Hfo_s         
	  5.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       4.852e-03       0.970   4.852e-03      -2.314
	Hfo_sOH           1.063e-04       0.021   1.062e-04      -3.974
	Hfo_sOH2+         3.418e-05       0.007   3.418e-05      -4.466
	Hfo_sO-           7.567e-06       0.002   7.566e-06      -5.121
	Hfo_sOHBa+2       8.920e-09       0.000   8.919e-09      -8.050
	Hfo_sOFe+         4.801e-22       0.000   4.801e-22     -21.319

Hfo_w         
	  5.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           1.312e-02       0.262   1.312e-02      -1.882
	Hfo_wHCO3         1.015e-02       0.203   1.015e-02      -1.993
	Hfo_wOMg+         7.344e-03       0.147   7.343e-03      -2.134
	Hfo_wOHSO4-2      7.156e-03       0.143   7.155e-03      -2.145
	Hfo_wCO3-         5.361e-03       0.107   5.361e-03      -2.271
	Hfo_wOH2+         4.220e-03       0.084   4.219e-03      -2.375
	Hfo_wSO4-         1.163e-03       0.023   1.163e-03      -2.934
	Hfo_wO-           9.342e-04       0.019   9.341e-04      -3.030
	Hfo_wOCa+         5.496e-04       0.011   5.495e-04      -3.260
	Hfo_wOBa+         1.460e-11       0.000   1.460e-11     -10.836
	Hfo_wOFe+         5.532e-22       0.000   5.531e-22     -21.257
	Hfo_wOFeOH        8.952e-23       0.000   8.951e-23     -22.048

-----------------------------Exchange composition------------------------------

X                1.000e+00 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               6.770e-01   6.770e-01   6.770e-01    -0.143
	CaX2              1.132e-01   2.265e-01   2.265e-01    -0.574
	MgX2              4.817e-02   9.635e-02   9.635e-02    -0.527
	KX                1.829e-04   1.829e-04   1.829e-04    -0.185
	BaX2              1.044e-07   2.088e-07   2.088e-07    -0.654
	FeX2              6.883e-23   1.377e-22   1.377e-22    -0.585
	NH4X              1.014e-63   1.014e-63   1.014e-63    -0.218

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Ba                1.605e-08   1.605e-08
	C                 2.031e-03   2.031e-03
	Ca                1.309e-02   1.309e-02
	Fe                3.507e-14   3.507e-14
	K                 1.709e-05   1.709e-05
	Mg                1.355e-02   1.355e-02
	N                 1.200e-03   1.200e-03
	Na                3.240e-01   3.240e-01
	Ntg               4.168e-04   4.169e-04
	S                 1.871e-01   1.871e-01

----------------------------Description of solution----------------------------

                                       pH  =   7.522      Charge balance
                                       pe  =  13.117      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  25°C)  = 25999
                         Density (g/cm³)  =   1.02053
                               Volume (L)  =   1.00593
                        Viscosity (mPa s)  =   0.97088
                        Activity of water  =   0.992
                 Ionic strength (mol/kgw)  =   4.347e-01
                       Mass of water (kg)  =   1.000e+00
                 Total alkalinity (eq/kg)  =   1.967e-03
                       Total CO2 (mol/kg)  =   2.031e-03
                        Temperature (°C)  =  25.00
                           Pressure (atm)  =  0.69
                  Electrical balance (eq)  =  -7.312e-05
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.01
                               Iterations  =  30
                                  Total H  = 1.110235e+02
                                  Total O  = 5.626943e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             5.192e-07   3.343e-07    -6.285    -6.476    -0.191     -3.04
   H+              3.905e-08   3.003e-08    -7.408    -7.522    -0.114      0.00
   H2O             5.551e+01   9.919e-01     1.744    -0.004     0.000     18.07
Ba            1.605e-08
   BaSO4           1.168e-08   1.291e-08    -7.933    -7.889     0.043     (0)  
   Ba+2            4.351e-09   9.648e-10    -8.361    -9.016    -0.654    -11.31
   BaHCO3+         1.655e-11   1.209e-11   -10.781   -10.917    -0.136     (0)  
   BaCO3           9.208e-13   1.018e-12   -12.036   -11.992     0.043    -10.70
   BaOH+           1.566e-15   1.080e-15   -14.805   -14.967    -0.161     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -144.812  -144.769     0.043     35.45
C(4)          2.031e-03
   HCO3-           1.869e-03   1.308e-03    -2.728    -2.883    -0.155     26.03
   CO2             8.055e-05   8.903e-05    -4.094    -4.050     0.043     34.43
   CaHCO3+         3.789e-05   2.706e-05    -4.421    -4.568    -0.146      9.93
   MgHCO3+         2.824e-05   1.865e-05    -4.549    -4.729    -0.180      5.78
   CO3-2           8.512e-06   2.042e-06    -5.070    -5.690    -0.620     -1.24
   CaCO3           5.033e-06   5.563e-06    -5.298    -5.255     0.043    -14.60
   MgCO3           2.148e-06   2.375e-06    -5.668    -5.624     0.043    -17.09
   (CO2)2          1.316e-10   1.455e-10    -9.881    -9.837     0.043     68.87
   BaHCO3+         1.655e-11   1.209e-11   -10.781   -10.917    -0.136     (0)  
   BaCO3           9.208e-13   1.018e-12   -12.036   -11.992     0.043    -10.70
   FeHCO3+         3.940e-25   2.880e-25   -24.405   -24.541    -0.136     (0)  
   FeCO3           9.759e-26   1.079e-25   -25.011   -24.967     0.043     (0)  
Ca            1.309e-02
   CaSO4           6.965e-03   7.699e-03    -2.157    -2.114     0.043      7.50
   Ca+2            6.082e-03   1.622e-03    -2.216    -2.790    -0.574    -16.91
   CaHCO3+         3.789e-05   2.706e-05    -4.421    -4.568    -0.146      9.93
   CaCO3           5.033e-06   5.563e-06    -5.298    -5.255     0.043    -14.60
   CaOH+           1.216e-08   8.888e-09    -7.915    -8.051    -0.136     (0)  
   CaHSO4+         2.079e-09   1.520e-09    -8.682    -8.818    -0.136     (0)  
Fe(2)         1.845e-23
   FeSO4           9.458e-24   1.045e-23   -23.024   -22.981     0.043     18.97
   Fe+2            8.468e-24   2.202e-24   -23.072   -23.657    -0.585    -20.94
   FeHCO3+         3.940e-25   2.880e-25   -24.405   -24.541    -0.136     (0)  
   FeCO3           9.759e-26   1.079e-25   -25.011   -24.967     0.043     (0)  
   FeOH+           3.335e-26   2.300e-26   -25.477   -25.638    -0.161     (0)  
   Fe(OH)2         5.849e-30   6.464e-30   -29.233   -29.189     0.043     (0)  
   FeHSO4+         2.823e-30   2.064e-30   -29.549   -29.685    -0.136     (0)  
   Fe(OH)3-        1.150e-32   7.932e-33   -31.939   -32.101    -0.161     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -295.846  -295.803     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -434.177  -434.313    -0.136     (0)  
Fe(3)         3.507e-14
   Fe(OH)3         2.472e-14   2.732e-14   -13.607   -13.564     0.043     (0)  
   Fe(OH)2+        9.175e-15   6.421e-15   -14.037   -14.192    -0.155     (0)  
   Fe(OH)4-        1.176e-15   8.228e-16   -14.930   -15.085    -0.155     (0)  
   FeOH+2          2.597e-18   5.872e-19   -17.585   -18.231    -0.646     (0)  
   FeSO4+          1.169e-21   8.060e-22   -20.932   -21.094    -0.161     (0)  
   Fe(SO4)2-       6.441e-22   4.707e-22   -21.191   -21.327    -0.136     (0)  
   Fe+3            2.925e-23   2.754e-24   -22.534   -23.560    -1.026     (0)  
   FeHSO4+2        2.272e-28   6.482e-29   -27.644   -28.188    -0.545     (0)  
   Fe2(OH)2+4      1.399e-33   9.280e-36   -32.854   -35.032    -2.178     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -43.501   -46.905    -3.404     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -44.472   -44.429     0.043     28.61
K             1.709e-05
   K+              1.502e-05   9.816e-06    -4.823    -5.008    -0.185      9.52
   KSO4-           2.072e-06   9.631e-07    -5.684    -6.016    -0.333     30.64
Mg            1.355e-02
   MgSO4           6.973e-03   8.518e-03    -2.157    -2.070     0.087     -0.83
   Mg+2            4.100e-03   1.219e-03    -2.387    -2.914    -0.527    -20.63
   Mg(SO4)2-2      2.447e-03   7.490e-04    -2.611    -3.126    -0.514     47.09
   MgHCO3+         2.824e-05   1.865e-05    -4.549    -4.729    -0.180      5.78
   MgCO3           2.148e-06   2.375e-06    -5.668    -5.624     0.043    -17.09
   MgOH+           2.016e-07   1.461e-07    -6.696    -6.835    -0.140     (0)  
N(-3)         0.000e+00
   NH4+            0.000e+00   0.000e+00   -63.980   -64.198    -0.218     18.36
   NH4SO4-         0.000e+00   0.000e+00   -64.335   -64.671    -0.336     39.02
   NH3             0.000e+00   0.000e+00   -65.963   -65.920     0.043     24.42
N(0)          4.675e-21
   N2              2.338e-21   2.584e-21   -20.631   -20.588     0.043     29.29
N(3)          2.364e-16
   NO2-            2.364e-16   1.479e-16   -15.626   -15.830    -0.204     25.56
N(5)          1.200e-03
   NO3-            1.200e-03   7.504e-04    -2.921    -3.125    -0.204     30.12
Na            3.240e-01
   Na+             2.786e-01   2.005e-01    -0.555    -0.698    -0.143     -0.69
   NaSO4-          4.536e-02   2.091e-02    -1.343    -1.680    -0.336     19.12
   NaOH            6.065e-18   6.703e-18   -17.217   -17.174     0.043     (0)  
Ntg           4.168e-04
   Ntg             4.168e-04   4.607e-04    -3.380    -3.337     0.043     29.29
O(0)          5.351e-04
   O2              2.675e-04   2.957e-04    -3.573    -3.529     0.043     30.40
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -140.356  -140.548    -0.191     21.20
   H2S             0.000e+00   0.000e+00  -141.172  -141.128     0.043     36.28
   S-2             0.000e+00   0.000e+00  -145.298  -145.943    -0.646     (0)  
   (H2S)2          0.000e+00   0.000e+00  -283.578  -283.535     0.043     30.08
   Fe(HS)2         0.000e+00   0.000e+00  -295.846  -295.803     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -434.177  -434.313    -0.136     (0)  
S(6)          1.871e-01
   SO4-2           1.229e-01   2.670e-02    -0.910    -1.574    -0.663     17.16
   NaSO4-          4.536e-02   2.091e-02    -1.343    -1.680    -0.336     19.12
   MgSO4           6.973e-03   8.518e-03    -2.157    -2.070     0.087     -0.83
   CaSO4           6.965e-03   7.699e-03    -2.157    -2.114     0.043      7.50
   Mg(SO4)2-2      2.447e-03   7.490e-04    -2.611    -3.126    -0.514     47.09
   KSO4-           2.072e-06   9.631e-07    -5.684    -6.016    -0.333     30.64
   HSO4-           1.067e-07   7.795e-08    -6.972    -7.108    -0.136     40.83
   BaSO4           1.168e-08   1.291e-08    -7.933    -7.889     0.043     (0)  
   CaHSO4+         2.079e-09   1.520e-09    -8.682    -8.818    -0.136     (0)  
   FeSO4+          1.169e-21   8.060e-22   -20.932   -21.094    -0.161     (0)  
   Fe(SO4)2-       6.441e-22   4.707e-22   -21.191   -21.327    -0.136     (0)  
   FeSO4           9.458e-24   1.045e-23   -23.024   -22.981     0.043     18.97
   FeHSO4+2        2.272e-28   6.482e-29   -27.644   -28.188    -0.545     (0)  
   FeHSO4+         2.823e-30   2.064e-30   -29.549   -29.685    -0.136     (0)  
   NH4SO4-         0.000e+00   0.000e+00   -64.335   -64.671    -0.336     39.02

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(298 K,   1 atm)

  Anhydrite        -0.09     -4.36   -4.28  CaSO4
  Aragonite        -0.14     -8.48   -8.34  CaCO3
  Arcanite         -9.71    -11.59   -1.88  K2SO4
  Barite           -0.75    -10.59   -9.84  BaSO4
  Calcite           0.00     -8.48   -8.48  CaCO3
  CH4(g)         -141.97   -144.77   -2.80  CH4
  CO2(g)           -2.58     -4.05   -1.47  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.08  -17.08  CaMg(CO3)2
  Epsomite         -2.77     -4.51   -1.74  MgSO4:7H2O
  Fe(OH)3(a)       -5.89     -1.00    4.89  Fe(OH)3
  FeS(ppt)       -152.77   -156.68   -3.92  FeS
  Goethite         -0.00     -1.00   -1.00  FeOOH
  Gypsum            0.21     -4.37   -4.58  CaSO4:2H2O
  H2(g)           -41.33    -44.43   -3.10  H2
  H2O(g)           -1.51     -0.00    1.50  H2O
  H2S(g)         -140.13   -148.07   -7.94  H2S
  Hematite          2.01     -2.00   -4.01  Fe2O3
  Hexahydrite      -2.94     -4.51   -1.57  MgSO4:6H2O
  Jarosite-K      -24.51    -33.72   -9.21  KFe3(SO4)2(OH)6
  Kieserite        -3.33     -4.49   -1.16  MgSO4:H2O
  Mackinawite    -152.03   -156.68   -4.65  FeS
  Melanterite     -23.05    -25.26   -2.21  FeSO4:7H2O
  Mirabilite       -1.76     -3.00   -1.24  Na2SO4:10H2O
  N2(g)           -17.41    -20.59   -3.18  N2
  NH3(g)          -67.72    -65.92    1.80  NH3
  Ntg(g)           -0.16     -3.34   -3.18  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.64     -3.53   -2.89  O2
  Pyrite         -244.99   -263.47  -18.48  FeS2
  Siderite        -18.46    -29.35  -10.89  FeCO3
  Sulfur         -104.73    -99.85    4.88  S
  Thenardite       -2.67     -2.97   -0.30  Na2SO4
  Witherite        -6.14    -14.71   -8.56  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

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Reading input data for simulation 9.
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End of Run after 9.175 Seconds.
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