% Formerly provided as tc-6axNCKFMASHTOm45
% Here updated for tc347 by ecrg 29-11-19:
% - corrects error in san end-member in I-bar1 plagioclase (pli)
% - uses Mn-free versions of metapelite set xeos
% - removes P-dependence of Ws in garnet for consistency
%   with metapelite models
% - renamed pl as plc
%
% - pl4tr, k4tr and abc added 30-01-22

% ====================================================================
% The 'metabasite set' of a-x relations. 
%
% Use with:
%   - tc-ds62.txt
%   - tc345-tc347
%
% Coding for L (tonalitic 'metabasite' melt), 
%	     hb (+ act, gl via samecoding script), 
%            aug, dio (+ o, jd via samecoding),
%            opx, g, ol, ksp, pl4tr, k4tr, plc, pli, sp (+ mt), 
%            ilm (+ hem), ilmm (+ hemm), ep, bi, mu, chl 
%
% N.B. please read the file tc-6axNCKMASHTOm-readme.txt 
%      before using these a-x relations. This file contains 
%      several models for the same phases, or for phases that
%      also appear in other sets of models. It's important to
%      choose the right model!
%
% This file assembled by E.C.R. Green 27 May 2016.


% ====================================================================
% Tonalitic 'metabasite' melt: NCKFMASH
% yan is an order parameter (via isQ script)
%
% Green, ECR, White, RW, Diener, JFA, Powell, R, Holland, TJB & 
% Palin, RM (2016). Activity-composition relations for the calculation
% of partial melting equilibria in metabasic rocks. 
% Journal of Metamorphic Geology, in press.

L  9 1  
      q(L)   0.2
      fsp(L)  0.1
      na(L) 0.2
      wo(L)  0.05
      sil(L) 0.01
      ol(L)  0.01
      x(L)  0.01
      yan(L) 0.01  isQ   % isQ = this is an order parameter 

%-------------------------------------------------------------------

p(qL)    1  2    0  1  1  q     1  1  1  yan

p(abL)   1  3    0  1  1  fsp   0  1  1  na   1  1  1  yan  

p(kspL)  1  3    0  1  1  fsp   1  1 -1  na   1  1  1  yan

p(woL)   2  2    0  1  1  wo    1  1  1  yan    
            1    0  1 -1  yan

p(silL)  2  2    0  1  1  sil    1  1  1  yan    
            1    0  1 -1  yan    

p(faL)   1  3    0  1  1  ol    0  1  1  x    1  1  1  yan

p(foL)   1  3    0  1  1  ol    1  1 -1  x    1  1  1  yan

p(h2oL)  2  2  	0  5 -1  q -1 fsp -1 wo -1 sil -1 ol   1 1 1 yan
	    1    1  1  1  yan  

p(anL)   1  1    0  1  1  yan

% --------------------------------------------------
sf				    
   W(qL,abL)        12     0  -0.4
   W(qL,kspL)       -2     0  -0.5
   W(qL,woL)        -5     0     0        
   W(qL,silL)        0     0     0
   W(qL,faL)         0     0     0
   W(qL,foL)	    42     0   1.0
   W(qL,h2oL)       18.1   0  -0.68 
   W(qL,anL)	   -29.5   0  -0.1
    
   W(abL,kspL)      -6     0   3.0
   W(abL,woL)      -12.0   0     0
   W(abL,silL)      10     0     0
   W(abL,faL)      -30     0   0.8
   W(abL,foL)      -47.3   0   0.3
   W(abL,h2oL)      -4.4   0  -0.17
   W(abL,anL)        8.6   0   0.4
   
   W(kspL,woL)     -13     0     0
   W(kspL,silL)      0     0     0
   W(kspL,faL)     -11.3   0     0    
   W(kspL,foL)       6.8   0     0    
   W(kspL,h2oL)     10.4   0  -0.39
   W(kspL,anL)     -16     0  -0.25
 
   W(woL,silL)      -1.6   0     0   
   W(woL,faL)        6.5   0     0   
   W(woL,foL)        4     0     0  
   W(woL,h2oL)      21     0     0 
   W(woL,anL)        3.5   0     0

   W(silL,faL)	    12     0     0     
   W(silL,foL)	    12     0     0     
   W(silL,h2oL)     11     0    -0.5
   W(silL,anL)       6.4   0     0

   W(faL,foL)       18     0     0
   W(faL,h2oL)      29     0     0    
   W(faL,anL)      -43.5   0    -0.95 
 
   W(foL,h2oL)      29     0    -0.5  
   W(foL,anL)      -26     0    -0.6  

   W(h2oL,anL)       9.75  0    -0.5	    
  
% --------------------------------------------------
   11  
   
   fac     2  2    0 5 1 q 1 fsp 1 wo 1 sil 1 ol  1 1 1 yan
              1    0  1 -1  yan
   
   pq      1  2    0  1  1  q     1  1  1  yan

   xab     1  3    0  1  1  fsp   0  1  1  na   1  1  1  yan  

   xksp    1  3    0  1  1  fsp   1  1 -1  na   1  1  1  yan

   pwo     2  2    0  1  1  wo    1  1  1  yan    
              1    0  1 -1  yan

   psil    2  2    0  1  1  sil    1  1  1  yan    
              1    0  1 -1  yan       

   ph2o    2  2    0  5 -1  q -1 fsp -1 wo -1 sil -1 ol   1 1 1 yan
	      1    1  1  1  yan   

   pan     1  1    0  1  1  yan
    
   pol     1  2    0  1  1  ol    1  1  1  yan 

   xFe     1  1    0  1  1  x 
   
   xMg     1  1    1  1 -1  x 
 

% --------------------------------------------------
% ideal mixing activities
   
 qL      1  2      fac 1  pq 1     % may only involve "site fractions"
  make   1  qL 4

 abL     1  2      fac  1  xab 1
  make   1  abL 1

 kspL    1  2      fac  1  xksp 1
  make   1  kspL 1

 woL     1  2      fac  1  pwo 1
  make   1  woL  1
  DQF  1.3   0   0

 silL    1  2      fac  1  psil 1
  make   1  silL 1
  DQF  -7.8  0  0

 faL     1  3      fac  1  pol  1   xFe  5
   make  1  faL 2
   DQF  -8.2  0  -1.4  	

 foL     1  3      fac  1  pol  1   xMg  5
   make  1  foL 2
   DQF  -4.0  0  0.0 

 h2oL    1  1             ph2o 2
   make   1  h2oL 1

 anL     1  2      fac  1  pan 1
   make  2   woL  1  silL  1
   DQF  -46.5   0  -0.25
  
%__________________________________________________________________ 


% ============================================================================
% clinoamphibole: NCKFMASHTO
%
% Green, ECR, White, RW, Diener, JFA, Powell, R, Holland, TJB & 
% Palin, RM (2016). Activity-composition relations for the calculation
% of partial melting equilibria in metabasic rocks. 
% Journal of Metamorphic Geology, in press.
% 
% 
%         A                   M13           M2                              M4                        T1            V             
%         v     Na    K       Mg    Fe      Mg    Fe    Al    Fe3   Ti      Ca    Mg    Fe    Na      Si    Al      OH    O       
% tr      1     0     0       3     0       2     0     0     0     0       2     0     0     0       4     0       2     0       
% ts      1     0     0       3     0       0     0     2     0     0       2     0     0     0       2     2       2     0       
% parg    0     1     0       3     0       1     0     1     0     0       2     0     0     0       2     2       2     0       
% gl      1     0     0       3     0       0     0     2     0     0       0     0     0     2       4     0       2     0       
% cumm    1     0     0       3     0       2     0     0     0     0       0     2     0     0       4     0       2     0       
% grun    1     0     0       0     3       0     2     0     0     0       0     0     2     0       4     0       2     0       
% a       1     0     0       3     0       0     2     0     0     0       0     0     2     0       4     0       2     0       
% b       1     0     0       0     3       2     0     0     0     0       0     0     2     0       4     0       2     0       
% mrb     1     0     0       3     0       0     0     0     2     0       0     0     0     2       4     0       2     0       
% kprg    0     0     1       3     0       1     0     1     0     0       2     0     0     0       2     2       2     0       
% tts     1     0     0       3     0       0     0     0     0     2       2     0     0     0       2     2       0     2       
     
%
%                     3 xFeM13 + 2 xFeM2 + 2 xFeM4
% x -> -----------------------------------------------------------
%      3 xFeM13 + 2 xFeM2 + 2 xFeM4 + 3 xMgM13 + 2 xMgM2 + 2 xMgM4
%
% y -> xAlM2
%
% z -> xNaM4
%
% a -> xKA + xNaA
%
%         xKA
% k -> ----------
%      xKA + xNaA
%
% c -> xCaM4
%
% f -> xFe3M2
%
% t -> xTiM2
%
%               xFeM13
% Q1 -> x - ---------------
%           xFeM13 + xMgM13
%
%               xFeM2
% Q2 -> x - -------------
%           xFeM2 + xMgM2
% -------------------------------------------------
 
hb  11  1
 
   x(hb)         0.575 
   y(hb)         0.65 
   z(hb)         0.35 
   a(hb)         0.40 
   k(hb)         0.1 
   c(hb)         0.65 
   f(hb)         0.1 
   t(hb)         0.10 
   Q1(hb)        0.0276   range -1 1 %  
   Q2(hb)        0.275    range -1 1  % 
% -------------------------------------------------
 
p(tr)      1 1    0  6  -1/2  a   1  c  -1  f  -1  t  -1  y   1  z
 
p(ts)      1 1    0  4  -1/2  a   1  f   1  y  -1  z
 
p(parg)    2 1    0  1   1  a
             2    0  1  -1  a    0  1  1  k
 
p(gl)      1 1    0  2  -1  f   1  z
 
p(cumm)    6 1    1  5  -1  c  -1  Q2  -1  x  -1  z  -3/2  Q1
             2    0  1  1  f    0  1  1  Q2
             2    0  1  1  Q2    0  1  1  t
             2    0  1  1  c    0  1  1  x
             2    0  1  1  Q2    0  1  1  y
             2    0  1  1  x    0  1  1  z
 
p(grun)    9 1    0  3   1  x  -2  Q2  -5/2  Q1
             2    0  1  2  f    0  1  1  Q2
             2    0  1  2  Q2    0  1  1  t
             2    0  1  1  c    0  1  1  x
             2    0  1  -1  f    0  1  1  x
             2    0  1  -1  t    0  1  1  x
             2    0  1  2  Q2    0  1  1  y
             2    0  1  -1  x    0  1  1  y
             2    0  1  1  x    0  1  1  z
 
p(a)       6 1    0  2   1  Q2  5/2  Q1
             2    0  1  -1  f    0  1  1  Q2
             2    0  1  -1  Q2    0  1  1  t
             2    0  1  -1  c    0  1  1  x
             2    0  1  -1  Q2    0  1  1  y
             2    0  1  -1  x    0  1  1  z
 
p(b)       9 1    0  2  2  Q2  3/2  Q1
             2    0  1  -2  f    0  1  1  Q2
             2    0  1  -2  Q2    0  1  1  t
             2    0  1  -1  c    0  1  1  x
             2    0  1  1  f    0  1  1  x
             2    0  1  1  t    0  1  1  x
             2    0  1  -2  Q2    0  1  1  y
             2    0  1  1  x    0  1  1  y
             2    0  1  -1  x    0  1  1  z
 
p(mrb)     1 1    0  1  1  f
 
p(kprg)    1 2    0  1  1  a    0  1  1  k
 
p(tts)     1 1    0  1  1  t
% -------------------------------------------------
asf
W(tr,ts)                  20           0         0
W(tr,parg)                25           0         0
W(tr,gl)                  65           0         0
W(tr,cumm)                45           0         0
W(tr,grun)                75           0         0
W(tr,a)                   57           0         0
W(tr,b)                   63           0         0
W(tr,mrb)                 52           0         0
W(tr,kprg)                30           0         0
W(tr,tts)                 85           0         0
W(ts,parg)               -40           0         0
W(ts,gl)                  25           0         0
W(ts,cumm)                70           0         0
W(ts,grun)                80           0         0
W(ts,a)                   70           0         0
W(ts,b)                 72.5           0         0
W(ts,mrb)                 20           0         0
W(ts,kprg)               -40           0         0
W(ts,tts)                 35	       0         0
W(parg,gl)                50           0         0
W(parg,cumm)              90           0         0
W(parg,grun)           106.7           0         0
W(parg,a)               94.8           0         0
W(parg,b)               94.8           0         0
W(parg,mrb)               40           0         0
W(parg,kprg)               8 	       0         0
W(parg,tts)               15           0         0
W(gl,cumm)               100           0         0
W(gl,grun)             113.5           0         0
W(gl,a)                  100           0         0
W(gl,b)                111.2           0         0
W(gl,mrb)                  0           0         0
W(gl,kprg)                54           0         0
W(gl,tts)                 75           0         0
W(cumm,grun)              33           0         0
W(cumm,a)                 18           0         0
W(cumm,b)                 23           0         0
W(cumm,mrb)               80           0         0
W(cumm,kprg)              87           0         0
W(cumm,tts)              100           0         0
W(grun,a)                 12           0         0
W(grun,b)                  8           0         0
W(grun,mrb)               91           0         0
W(grun,kprg)              96           0         0
W(grun,tts)               65           0         0
W(a,b)                    20           0         0
W(a,mrb)                  80           0         0
W(a,kprg)                 94           0         0
W(a,tts)                  95           0         0
W(b,mrb)                  90           0         0
W(b,kprg)                 94           0         0
W(b,tts)                  95           0         0
W(mrb,kprg)               50           0         0
W(mrb,tts)                50           0         0
W(kprg,tts)               35           0         0
 
a(tr)                 1         0         0
a(ts)               1.5         0         0
a(parg)             1.7         0         0
a(gl)               0.8         0         0
a(cumm)               1         0         0
a(grun)               1         0         0
a(a)                  1         0         0
a(b)                  1         0         0
a(mrb)              0.8         0         0
a(kprg)             1.7         0         0
a(tts)              1.5         0         0
% -------------------------------------------------
18
 
xvA        1 1    1  1  -1  a
 
xNaA       2 1    0  1   1  a
             2    0  1  -1  a    0  1  1  k
 
xKA        1 2    0  1  1  a    0  1  1  k
 
xMgM13     1 1    1  2   1  Q1  -1  x
 
xFeM13     1 1    0  2  -1  Q1   1  x
 
xMgM2      7 1    1  5  -1  f   1  Q2  -1  t  -1  x  -1  y
             2    0  1  -1  f    0  1  1  Q2
             2    0  1  -1  Q2    0  1  1  t
             2    0  1  1  f    0  1  1  x
             2    0  1  1  t    0  1  1  x
             2    0  1  -1  Q2    0  1  1  y
             2    0  1  1  x    0  1  1  y
 
xFeM2      7 1    0  2  -1  Q2   1  x
             2    0  1  1  f    0  1  1  Q2
             2    0  1  1  Q2    0  1  1  t
             2    0  1  -1  f    0  1  1  x
             2    0  1  -1  t    0  1  1  x
             2    0  1  1  Q2    0  1  1  y
             2    0  1  -1  x    0  1  1  y
 
xAlM2      1 1    0  1  1  y
 
xFe3M2     1 1    0  1  1  f
 
xTiM2      1 1    0  1  1  t
 
xCaM4      1 1    0  1  1  c
 
xMgM4      6 1    1  5  -1  c  -1  Q2  -1  x  -1  z  -3/2  Q1
             2    0  1  1  f    0  1  1  Q2
             2    0  1  1  Q2    0  1  1  t
             2    0  1  1  c    0  1  1  x
             2    0  1  1  Q2    0  1  1  y
             2    0  1  1  x    0  1  1  z
 
xFeM4      6 1    0  3   1  Q2   1  x  3/2  Q1
             2    0  1  -1  f    0  1  1  Q2
             2    0  1  -1  Q2    0  1  1  t
             2    0  1  -1  c    0  1  1  x
             2    0  1  -1  Q2    0  1  1  y
             2    0  1  -1  x    0  1  1  z
 
xNaM4      1 1    0  1  1  z
 
xSiT1      1 1    1  5  -1/2  f  -1/2  t  -1/2  y  1/2  z  -1/4  a
 
xAlT1      1 1    0  5  1/2  f  1/2  t  1/2  y  -1/2  z  1/4  a
 
xOHV       1 1    1  1  -1  t
 
xOV        1 1    0  1  1  t
% -------------------------------------------------
 
tr      1    6  xvA 1  xMgM13 3  xMgM2 2  xCaM4 2  xSiT1 1  xOHV 2  
  check 0  0  0  0  0  1  0  0  0  0  
 
ts      2    7  xvA 1  xMgM13 3  xAlM2 2  xCaM4 2  xSiT1 1/2  xAlT1 1/2  xOHV 2  
  check 0  1  0  0  0  1  0  0  0  0  
  make  1       ts    1
  DQF             10              0           0
 
parg    8    8  xNaA 1  xMgM13 3  xMgM2 1  xAlM2 1  xCaM4 2  xSiT1 1/2  xAlT1 1/2  xOHV 2  
  check 0  1/2  0  1  0  1  0  0  0  0  
  make  1     parg    1
  DQF          -10              0           0
 
gl      1    6  xvA 1  xMgM13 3  xAlM2 2  xNaM4 2  xSiT1 1  xOHV 2  
  check 0  1  1  0  0  0  0  0  0  0  
  make  1       gl    1
  DQF           -3              0           0
 
cumm    1    6  xvA 1  xMgM13 3  xMgM2 2  xMgM4 2  xSiT1 1  xOHV 2  
  check 0  0  0  0  0  0  0  0  0  0  
  make  1     cumm    1
  DQF             0              0           0
 
grun    1    6  xvA 1  xFeM13 3  xFeM2 2  xFeM4 2  xSiT1 1  xOHV 2  
  check 1  0  0  0  0  0  0  0  0  0  
  make  1     grun    1
  DQF             -3              0           0
 
a       1    6  xvA 1  xMgM13 3  xFeM2 2  xFeM4 2  xSiT1 1  xOHV 2  
  check 4/7  0  0  0  0  0  0  0  4/7  -3/7  
  make  2     cumm  3/7 grun  4/7
  DQF             -11.2              0           0
 
b       1    6  xvA 1  xFeM13 3  xMgM2 2  xFeM4 2  xSiT1 1  xOHV 2  
  check 5/7  0  0  0  0  0  0  0  -2/7  5/7  
  make  2     cumm  2/7 grun  5/7
  DQF             -13.8              0           0
 
mrb     1    6  xvA 1  xMgM13 3  xFe3M2 2  xNaM4 2  xSiT1 1  xOHV 2  
  check 0  0  1  0  0  0  1  0  0  0  
  make  3      gl 1   gr -1 andr 1
  DQF             0              0           0
 
kprg    8    8  xKA 1  xMgM13 3  xMgM2 1  xAlM2 1  xCaM4 2  xSiT1 1/2  xAlT1 1/2  xOHV 2  
  check 0  1/2  0  1  1  1  0  0  0  0  
  make  3        mu  1   pa   -1  parg  1
  DQF          -7.06      0.020       0
 
tts     2    7  xvA 1  xMgM13 3  xTiM2 2  xCaM4 2  xSiT1 1/2  xAlT1 1/2  xOV 2  
  check 0  0  0  0  0  1  0  1  0  0  
  make  3      dsp   -2   ru    2    ts  1
  DQF           95           0         0


% =================================================
% -------------------------------------------------
% clinopyroxene: NCFMASO
%
% Augitic (calcic) cpx.
%
% WARNING: Order-disorder on tet site only. 
% DO NOT use for ompfmchacite, sodic cpx
% DO NOT use for coexisting sodic-calcic cpx
%
% Green, ECR, White, RW, Diener, JFA, Powell, R, Holland, TJB & 
% Palin, RM (2016). Activity-composition relations for the calculation
% of partial melting equilibria in metabasic rocks. 
% Journal of Metamorphic Geology, in press.
% 
% 
% 
%         M1                        M2                        T1            T2            
%         Mg    Fe    Al    Fe3     Mg    Fe    Ca    Na      Si    Al      Si    Al      
% di      1     0     0     0       0     0     1     0       1     0       1     0       
% cenh    1     0     0     0       1     0     0     0       1     0       1     0       
% cfs     0     1     0     0       0     1     0     0       1     0       1     0       
% jd      0     0     1     0       0     0     0     1       1     0       1     0       
% acm     0     0     0     1       0     0     0     1       1     0       1     0       
% ocats   0     0     1     0       0     0     1     0       1     0       0     1       
% dcats   0     0     1     0       0     0     1     0       1/2   1/2     1/2   1/2     
% fmc     1     0     0     0       0     1     0     0       1     0       1     0       
%
%              xFeM1 + xFeM2
% x -> -----------------------------
%      xFeM1 + xFeM2 + xMgM1 + xMgM2
%
% y -> xAlT1 + xAlT2
%
% f -> xFe3M1
%
% z -> xCaM2
%
% j -> xNaM2
%
%                    xFeM2
% Qfm -> 2 (-x + -------------)
%                xFeM2 + xMgM2
%
% Qal -> -xAlT1 + xAlT2
% -------------------------------------------------
 
aug  8  1
 
  x(aug)           0.2
  y(aug)           0.12
  f(aug)           0.03
  z(aug)           0.85
  j(aug)           0.08
  Qfm(aug)         0.2   range  0 2
  Qal(aug)         0.05  
% -------------------------------------------------
 
p(di)      1 1    0  2  -1  y   1  z
 
p(cenh)    5 1    1  4  -1/2  Qfm  -1  j  -1  x  -1  z
             2    0  1  1/2  j    0  1  1  Qfm
             2    0  1  1  j    0  1  1  x
             2    0  1  1/2  Qfm    0  1  1  z
             2    0  1  1  x    0  1  1  z
 
p(cfs)     5 1    0  2  -1/2  Qfm   1  x
             2    0  1  1/2  j    0  1  1  Qfm
             2    0  1  -1  j    0  1  1  x
             2    0  1  -1  x    0  1  1  y
             2    0  1  1/2  Qfm    0  1  1  z
 
p(jd)      1 1    0  2  -1  f   1  j
 
p(acm)     1 1    0  1  1  f
 
p(ocats)   1 1    0  1  1  Qal
 
p(dcats)   1 1    0  2  -1  Qal   1  y
 
p(fmc)     5 1    0  1   1  Qfm
             2    0  1  -1  j    0  1  1  Qfm
             2    0  1  1  x    0  1  1  y
             2    0  1  -1  Qfm    0  1  1  z
             2    0  1  -1  x    0  1  1  z
% -------------------------------------------------
asf
W(di,cenh)                29.8       0      -0.03   
W(di,cfs)                 25.8       0      -0.03
W(di,jd)                  26         0         0
W(di,acm)                 21         0         0
W(di,ocats)               12.3       0      -0.01
W(di,dcats)               12.3       0      -0.01
W(di,fmc)                 20.6       0      -0.03
W(cenh,cfs)                2.3       0         0
W(cenh,jd)                50         0         0  
W(cenh,acm)               62         0         0  
W(cenh,ocats)             45.7       0      -0.29
W(cenh,dcats)             45.7       0      -0.29
W(cenh,fmc)                4.0       0         0
W(cfs,jd)                 60         0         0  
W(cfs,acm)                58         0         0  
W(cfs,ocats)              48         0         0
W(cfs,dcats)              48         0         0
W(cfs,fmc)                3.5        0         0
W(jd,acm)                  5         0         0
W(jd,ocats)               40         0         0 
W(jd,dcats)               40         0         0  
W(jd,fmc)                 40         0         0 
W(acm,ocats)              35         0         0
W(acm,dcats)              35         0         0
W(acm,fmc)                60         0         0
W(ocats,dcats)             3.8       0       0.01
W(ocats,fmc)              50         0         0
W(dcats,fmc)              50         0         0

a(di)               1.2     0     0
a(cenh)               1     0     0
a(cfs)                1     0     0
a(jd)               1.2     0     0
a(acm)              1.2     0     0
a(ocats)            1.9     0     0
a(dcats)	    1.9	    0     0
a(fmc)                1     0     0
 
% -------------------------------------------------
12
 
xMgM1      5 1    1  4  1/2  Qfm  -1  j  -1  x  -1  y
             2    0  1  -1/2  j    0  1  1  Qfm
             2    0  1  1  j    0  1  1  x
             2    0  1  1  x    0  1  1  y
             2    0  1  -1/2  Qfm    0  1  1  z
 
xFeM1      5 1    0  2  -1/2  Qfm   1  x
             2    0  1  1/2  j    0  1  1  Qfm
             2    0  1  -1  j    0  1  1  x
             2    0  1  -1  x    0  1  1  y
             2    0  1  1/2  Qfm    0  1  1  z
 
xAlM1      1 1    0  3  -1  f   1  j   1  y
 
xFe3M1     1 1    0  1  1  f
 
xMgM2      5 1    1  4  -1/2  Qfm  -1  j  -1  x  -1  z
             2    0  1  1/2  j    0  1  1  Qfm
             2    0  1  1  j    0  1  1  x
             2    0  1  1/2  Qfm    0  1  1  z
             2    0  1  1  x    0  1  1  z
 
xFeM2      5 1    0  2  1/2  Qfm   1  x
             2    0  1  -1/2  j    0  1  1  Qfm
             2    0  1  -1  j    0  1  1  x
             2    0  1  -1/2  Qfm    0  1  1  z
             2    0  1  -1  x    0  1  1  z
 
xCaM2      1 1    0  1  1  z
 
xNaM2      1 1    0  1  1  j
 
xSiT1      1 1    1  2  1/2  Qal  -1/2  y
 
xAlT1      1 1    0  2  -1/2  Qal  1/2  y
 
xSiT2      1 1    1  2  -1/2  Qal  -1/2  y
 
xAlT2      1 1    0  2  1/2  Qal  1/2  y
% -------------------------------------------------
 
di      1    4  xMgM1 1  xCaM2 1  xSiT1 1/4  xSiT2 1/4  
  check 0  0  0  1  0  0  0     
  make  1  di  1  
 
cenh    1    4  xMgM1 1  xMgM2 1  xSiT1 1/4  xSiT2 1/4  
  check 0  0  0  0  0  0  0  
  make  1     en     1
  DQF       3.5         -0.002       0.048 
 
cfs     1    4  xFeM1 1  xFeM2 1  xSiT1 1/4  xSiT2 1/4  
  check 1  0  0  0  0  0  0  
  make  1      fs    1
  DQF       2.1      -0.002      0.045    
 
jd      1    4  xAlM1 1  xNaM2 1  xSiT1 1/4  xSiT2 1/4  
  check 0  0  0  0  1  0  0  
  make  1   jd   1
  DQF   2   0   0   
 
acm     1    4  xFe3M1 1  xNaM2 1  xSiT1 1/4  xSiT2 1/4  
  check 0  0  1  0  1  0  0  
  make   1   acm   1
  DQF  -5  0  0     
 
ocats   1    4  xAlM1 1  xCaM2 1  xSiT1 1/4  xAlT2 1/4  
  check 0  1  0  1  0  0  1  
  make 1 cats 1
  DQF ordered 0 0 0   
 
dcats   1.41421 6  xAlM1 1  xCaM2 1  xSiT1 1/8  xAlT1 1/8  xSiT2 1/8  xAlT2 1/8  
  check 0  1  0  1  0  0  0  
  make 1 cats 1
  DQF ordered 3.8  -0.0028816  0.01  
 
fmc     1    4  xMgM1 1  xFeM2 1  xSiT1 1/4  xSiT2 1/4  
  check 1/2  0  0  0  0  1  0  
  make  2   fs  1/2   en  1/2
  DQF      -1.6     -0.002      0.0465   
% =================================================

% ===================================================================== 
% -------------------------------------------------
% clinopyroxene: NCFMASO
%
% Sodic-calcic cpx with order-disorder on M1, M2.
% Use this model for coexisting sodic-calcic, omphacitic cpx!
%
% WARNING: No tet-site Al, unsuitable for high temperatures. 
%
% Green, ECR, White, RW, Diener, JFA, Powell, R, Holland, TJB & 
% Palin, RM (2016). Activity-composition relations for the calculation
% of partial melting equilibria in metabasic rocks. 
% Journal of Metamorphic Geology, in press.
%
%
% OD omphacite (Q1 = Q - Qaf)
% 
%       M1m               M1a               M2c       M2n       
%       Mg  Fe  Fe3 Al    Mg  Fe  Fe3 Al    Na  Ca    Na  Ca    
% jd    0   0   0   1/2   0   0   0   1/2   1/2 0     1/2 0     
% di    1/2 0   0   0     1/2 0   0   0     0   1/2   0   1/2   
% hed   0   1/2 0   0     0   1/2 0   0     0   1/2   0   1/2   
% acm   0   0   1/2 0     0   0   1/2 0     1/2 0     1/2 0     
% om    1/2 0   0   0     0   0   0   1/2   0   1/2   1/2 0     
% cfm   0   1/2 0   0     1/2 0   0   0     0   1/2   0   1/2   
% jac   0   0   0   1/2   0   0   1/2 0     1/2 0     1/2 0     
%
%               xFe3M1a + xFe3M1m
% f -> -----------------------------------
%      xAlM1a + xAlM1m + xFe3M1a + xFe3M1m
%
%               xFeM1a + xFeM1m
% x -> ---------------------------------
%      xFeM1a + xFeM1m + xMgM1a + xMgM1m
%
%      xNaM2c + xNaM2n
% j -> ---------------
%             2
%
%      -xNaM2c + xNaM2n
% Q -> ----------------
%             2
%
%        xFe3M1a - xFe3M1m
% Qaf -> -----------------
%                2
%
%                 xFeM1a
% Qfm -> -x + ---------------
%             xFeM1a + xMgM1a
% -------------------------------------------------
 
dio  7  1      
 
   x(dio)         0.3481
   j(dio)         0.02
   f(dio)         0.1
   Q(dio)         0.0002126 range -0.5 0.5
   Qaf(dio)       0.009286  range -0.5 0.5   % Qaf < f j
   Qfm(dio)      -0.1135    range -0.5 0.5  
 
% -------------------------------------------------
 
p(jd)      2 1    0  3   1  j  -1  Q  -1  Qaf
             2    0  1  -1  f    0  1  1  j
 
p(di)      5 1    1  4  -1  j  -1  Q   1  Qfm  -1  x
             2    0  1  -1  j    0  1  1  Qfm
             2    0  1  -1  Q    0  1  1  Qfm
             2    0  1  1  j    0  1  1  x
             2    0  1  -1  Q    0  1  1  x
 
p(hed)     5 1    0  2   1  Qfm   1  x
             2    0  1  -1  j    0  1  1  Qfm
             2    0  1  -1  Q    0  1  1  Qfm
             2    0  1  -1  j    0  1  1  x
             2    0  1  -1  Q    0  1  1  x
 
p(acm)     2 1    0  1  -1  Qaf
             2    0  1  1  f    0  1  1  j
 
p(om)      1 1    0  1  2  Q
 
p(cfm)     4 1    0  1  -2  Qfm
             2    0  1  2  j    0  1  1  Qfm
             2    0  1  2  Q    0  1  1  Qfm
             2    0  1  2  Q    0  1  1  x
 
p(jac)     1 1    0  1  2  Qaf
% -------------------------------------------------
sf
W(jd,di)       26  0  0
W(jd,hed)      24  0  0   
W(jd,acm)       5  0  0  
W(jd,om)     15.5  0  0
W(jd,cfm)    25.2  0  0   
W(jd,jac)       3  0  0  
W(di,hed)       4  0  0   
W(di,acm)      21  0  0   
W(di,om)    15.75  0  0
W(di,cfm)       2  0  0   
W(di,jac)   24.65  0  0   
W(hed,acm)   20.8  0  0   
W(hed,om)    17.2  0  0   
W(hed,cfm)      2  0  0   
W(hed,jac)   24.6  0  0   
W(acm,om)    16.4  0  0   
W(acm,cfm)   22.2  0  0   
W(acm,jac)      3  0  0   
W(om,cfm)   18.45  0  0   
W(om,jac)    19.5  0  0   
W(cfm,jac)  24.55  0  0   
% -------------------------------------------------
12
 
xMgM1m     5 1    1  4  -1  j   1  Q   1  Qfm  -1  x
             2    0  1  -1  j    0  1  1  Qfm
             2    0  1  -1  Q    0  1  1  Qfm
             2    0  1  1  j    0  1  1  x
             2    0  1  -1  Q    0  1  1  x
 
xFeM1m     5 1    0  2  -1  Qfm   1  x
             2    0  1  1  j    0  1  1  Qfm
             2    0  1  1  Q    0  1  1  Qfm
             2    0  1  -1  j    0  1  1  x
             2    0  1  1  Q    0  1  1  x
 
xFe3M1m    2 1    0  1  -1  Qaf
             2    0  1  1  f    0  1  1  j
 
xAlM1m     2 1    0  3   1  j  -1  Q   1  Qaf
             2    0  1  -1  f    0  1  1  j
 
xMgM1a     5 1    1  4  -1  j  -1  Q  -1  Qfm  -1  x
             2    0  1  1  j    0  1  1  Qfm
             2    0  1  1  Q    0  1  1  Qfm
             2    0  1  1  j    0  1  1  x
             2    0  1  1  Q    0  1  1  x
 
xFeM1a     5 1    0  2   1  Qfm   1  x
             2    0  1  -1  j    0  1  1  Qfm
             2    0  1  -1  Q    0  1  1  Qfm
             2    0  1  -1  j    0  1  1  x
             2    0  1  -1  Q    0  1  1  x
 
xFe3M1a    2 1    0  1   1  Qaf
             2    0  1  1  f    0  1  1  j
 
xAlM1a     2 1    0  3   1  j   1  Q  -1  Qaf
             2    0  1  -1  f    0  1  1  j
 
xNaM2c     1 1    0  2   1  j  -1  Q
 
xCaM2c     1 1    1  2  -1  j   1  Q
 
xNaM2n     1 1    0  2   1  j   1  Q
 
xCaM2n     1 1    1  2  -1  j  -1  Q
% -------------------------------------------------
 
jd      1    4  xAlM1m 1/2  xAlM1a 1/2  xNaM2c 1/2  xNaM2n 1/2  
 
di      1    4  xMgM1m 1/2  xMgM1a 1/2  xCaM2c 1/2  xCaM2n 1/2  
 
hed     1    4  xFeM1m 1/2  xFeM1a 1/2  xCaM2c 1/2  xCaM2n 1/2  
 
acm     1    4  xFe3M1m 1/2  xFe3M1a 1/2  xNaM2c 1/2  xNaM2n 1/2  
   make 1 acm 1
   DQF -7  0  0 
 
om      1    4  xMgM1m 1/2  xAlM1a 1/2  xCaM2c 1/2  xNaM2n 1/2  
  make  2  jd 1/2  di 1/2
  DQF  -2.9  0  0 
 
cfm     1    4  xFeM1m 1/2  xMgM1a 1/2  xCaM2c 1/2  xCaM2n 1/2  
  make  2  di 1/2  hed 1/2
  DQF  -1.5  0  0 
 
jac     1    4  xAlM1m 1/2  xFe3M1a 1/2  xNaM2c 1/2  xNaM2n 1/2  
 make  2  jd 1/2  acm 1/2
 DQF  -4.5  0  0   
 
% =================================================

% =================================================
% -------------------------------------------------
% orthopyroxene: CFMMnASO
%
% White, RW, Powell, R, Holland, TJB, Johnson, TE & 
% Green, ECR (2014). New mineral activity-composition relations
% for thermodynamic calculations in metapelitic systems.
% Journal of Metamorphic Geology, 32, 261-286.
% 
% coded by axe attack on 14 August 2013
% 
%         M1                        M2                  T             
%         Mg    Fe    Fe3   Al      Mg    Fe    Ca      Al    Si      
% en      1     0     0     0       1     0     0       0     2       
% fs      0     1     0     0       0     1     0       0     2       
% fm      1     0     0     0       0     1     0       0     2       
% mgts    0     0     0     1       1     0     0       1     1       
% fopx    0     0     1     0       1     0     0       1     1       
% odi     1     0     0     0       0     0     1       0     2       
%
%              xFeM1 + xFeM2
% x -> -----------------------------
%      xFeM1 + xFeM2 + xMgM1 + xMgM2
%
% y -> xAlM1
%
% f -> xFe3M1
%
% c -> xCaM2
%
%                  xFeM2
% Q -> 2 (-x + -------------)
%              xFeM2 + xMgM2
% -------------------------------------------------
 
opx  6  1
 
  x(opx)           0.3
  y(opx)           0.1
  f(opx)           0.03
  c(opx)           0.05
  Q(opx)           0.4
% -------------------------------------------------
 
p(en)      3 1    1  5  -1/2  Q  -1  c  -1  f  -1  x  -1  y
             2    0  1  1/2  c    0  1  1  Q
             2    0  1  1  c    0  1  1  x
 
p(fs)      4 1    0  2  -1/2  Q   1  x
             2    0  1  1/2  c    0  1  1  Q
             2    0  1  -1  f    0  1  1  x
             2    0  1  -1  x    0  1  1  y
 
p(fm)      5 1    0  1   1  Q
             2    0  1  -1  c    0  1  1  Q
             2    0  1  -1  c    0  1  1  x
             2    0  1  1  f    0  1  1  x
             2    0  1  1  x    0  1  1  y
 
p(mgts)    1 1    0  1  1  y
 
p(fopx)    1 1    0  1  1  f
 
p(odi)     1 1    0  1  1  c
% -------------------------------------------------
asf
W(en,fs)                   7           0         0
W(en,fm)                   4           0         0
W(en,mgts)                13           0     -0.15
W(en,fopx)                11           0     -0.15
W(en,odi)               32.2           0      0.12
W(fs,fm)                   4           0         0
W(fs,mgts)                13           0     -0.15
W(fs,fopx)              11.6           0     -0.15
W(fs,odi)              25.54           0     0.084
W(fm,mgts)                17           0     -0.15
W(fm,fopx)                15           0     -0.15
W(fm,odi)              22.54           0     0.084
W(mgts,fopx)               1           0         0
W(mgts,odi)             75.4           0     -0.94
W(fopx,odi)             73.4           0     -0.94
 
a(en)                 1         0         0
a(fs)                 1         0         0
a(fm)                 1         0         0
a(mgts)               1         0         0
a(fopx)               1         0         0
a(odi)              1.2         0         0
% -------------------------------------------------
9
 
xMgM1      4 1    1  4  1/2  Q  -1  f  -1  x  -1  y
             2    0  1  -1/2  c    0  1  1  Q
             2    0  1  1  f    0  1  1  x
             2    0  1  1  x    0  1  1  y
 
xFeM1      4 1    0  2  -1/2  Q   1  x
             2    0  1  1/2  c    0  1  1  Q
             2    0  1  -1  f    0  1  1  x
             2    0  1  -1  x    0  1  1  y
 
xFe3M1     1 1    0  1  1  f
 
xAlM1      1 1    0  1  1  y
 
xMgM2      3 1    1  3  -1/2  Q  -1  c  -1  x
             2    0  1  1/2  c    0  1  1  Q
             2    0  1  1  c    0  1  1  x
 
xFeM2      3 1    0  2  1/2  Q   1  x
             2    0  1  -1/2  c    0  1  1  Q
             2    0  1  -1  c    0  1  1  x
 
xCaM2      1 1    0  1  1  c
 
xAlT       1 1    0  2  1/2  f  1/2  y
 
xSiT       1 1    1  2  -1/2  f  -1/2  y
% -------------------------------------------------
 
en      1    3  xMgM1 1  xMgM2 1  xSiT 1/2  
  check 0  0  0  0  0  
 
fs      1    3  xFeM1 1  xFeM2 1  xSiT 1/2  
  check 1  0  0  0  0  
 
fm      1    3  xMgM1 1  xFeM2 1  xSiT 1/2  
  check 1/2  0  0  0  1  
  make  2       en  1/2   fs  1/2
  DQF             -6.6              0           0
 
mgts    1.41421 4  xAlM1 1  xMgM2 1  xAlT 1/4  xSiT 1/4  
  check 0  1  0  0  0  
 
fopx    1.41421 4  xFe3M1 1  xMgM2 1  xAlT 1/4  xSiT 1/4  
  check 0  0  1  0  0  
  make  3     andr  1/2   gr -1/2  mgts  1
  DQF             2              0           0
 
odi     1    3  xMgM1 1  xCaM2 1  xSiT 1/2  
  check 0  0  0  1  0  
  make  1       di    1
  DQF             -0.1       0.000211       0.005
% =================================================


% =================================================
% -------------------------------------------------
% garnet: CFMASO 
%
% White, RW, Powell, R, Holland, TJB, Johnson, TE & 
% Green, ECR (2014). New mineral activity-composition relations
% for thermodynamic calculations in metapelitic systems.
% Journal of Metamorphic Geology, 32, 261-286.
%
% coded by axe attack on 14 August 2013
% 
%         X                   Y             
%         Mg    Fe    Ca      Al    Fe3     
% py      3     0     0       2     0       
% alm     0     3     0       2     0       
% gr      0     0     3       2     0       
% kho     3     0     0       0     2       
%
%         xFeX
% x -> -----------
%      xFeX + xMgX
%
% z -> xCaX
%
% f -> xFe3Y
% -------------------------------------------------
 
g  4  1
 
  x(g)             0.9
  z(g)             0.1
  f(g)             0.01
% -------------------------------------------------
 
p(py)      2 1    1  3  -1  f  -1  x  -1  z
             2    0  1  1  x    0  1  1  z
 
p(alm)     2 1    0  1   1  x
             2    0  1  -1  x    0  1  1  z
 
p(gr)      1 1    0  1  1  z
 
p(kho)     1 1    0  1  1  f
% -------------------------------------------------
asf
W(py,alm)                2.5           0         0
W(py,gr)                  31           0         0
W(py,kho)                5.4           0         0
W(alm,gr)                  5           0         0
W(alm,kho)              22.6           0         0
W(gr,kho)              -15.3           0         0
 
a(py)                 1         0         0
a(alm)                1         0         0
a(gr)               2.7         0         0
a(kho)                1         0         0
% -------------------------------------------------
5
 
xMgX       2 1    1  2  -1  x  -1  z
             2    0  1  1  x    0  1  1  z
 
xFeX       2 1    0  1   1  x
             2    0  1  -1  x    0  1  1  z
 
xCaX       1 1    0  1  1  z
 
xAlY       1 1    1  1  -1  f
 
xFe3Y      1 1    0  1  1  f
% -------------------------------------------------
 
py      1    2  xMgX 3  xAlY 2  
  check 0  0  0  
 
alm     1    2  xFeX 3  xAlY 2  
  check 1  0  0  
 
gr      1    2  xCaX 3  xAlY 2  
  check 0  1  0  
 
kho     1    2  xMgX 3  xFe3Y 2  
  check 0  0  1  
  make  3      andr  1   gr   -1    py  1
  DQF             27              0           0
% =================================================

% ============================================
% olivine: FMS
%
% Holland, TJB & Powell, R (2011). An improved and
% extended internally consistent thermodynamic dataset
% for phases of petrological interest, involving a
% new equation of state for solids. 
% Journal of Metamorphic Geology, 29, 333-383.
%

ol 2  1 
      x(ol)   0.15

p(fo)      1  1    1  1 -1  x
p(fa)      1  1    0  1  1  x

   sf

   W(fo,fa)    9.0   0   0
      
   2   %  "site fractions"   
   pfo    1 1      1  1 -1  x   
   pfa    1 1      0  1  1  x

% ideal mixing activities   
 fo      1  1      pfo  2     % may only involve "site fractions"      
 fa      1  1      pfa  2


% =================================================================
% ternary feldspar, “4TR” model, with plagioclase-friendly 
%         parameterisation.
%
% Holland, TJB, Green, ECR & Powell, R (2021). A thermodynamic model
% for feldspars in KAlSi3O8-NaAlSi3O8-CaAl2Si2O8 for mineral 
% equilibrium calculations. Journal of Metamorphic Geology, 1-14.
% Published online as DOI 10.1111/jmg.12639
% 
% E-m   Formula        Mixing sites
%                      A                   TB*            
%                      Na    Ca    K       Al    Si      
% ab    NaAlSi3O8      1     0     0       1     3       
% san   KAlSi3O8       0     0     1       1     3       
% an    CaAl2Si2O8     0     1     0       2     2     
% *use 1/4 entropy of mixing from TB-sites  
%
% ca -> xCaA
% k -> xKA
% -------------------------------------------------

pl4tr  3  1

    ca(pl4tr) 0.8
    k(pl4tr)  0.03
    
% --------------------------------------------------

   p(ab)   1 1    1 2 -1 k -1 ca
   p(an)   1 1    0 1  1 ca
   p(san)  1 1    0 1  1 k
   
% --------------------------------------------------
   asf
     W(ab,an)   14.6 -0.00935 -0.04
     W(ab,san)  24.1 -0.00957  0.338
     W(an,san)  48.5    0     -0.13
    
    ab   0.674    0  0
    an   0.550    0  0
    san  1.000    0  0
    
% --------------------------------------------------
5
   xNaA       1 1    1  2  -1  ca  -1  k
   xCaA       1 1    0  1  1  ca
   xKA        1 1    0  1  1  k
   xAlTB      1 1    1/4  1  1/4  ca
   xSiTB      1 1    3/4  1  -1/4  ca

% --------------------------------------------------

  ab      1.754765  3  xNaA 1  xAlTB 1/4  xSiTB 3/4 
 
  an      2         3  xCaA 1  xAlTB 1/2  xSiTB 1/2  

  san     1.754765  3  xKA  1  xAlTB 1/4  xSiTB 3/4  
% ==================================================================================



% =================================================================
%
% Low-albite solid solution, for modelling the peristerite gap in 
% metabasites
%
% Holland, TJB, Green, ECR & Powell, R (2021). A thermodynamic model
% for feldspars in KAlSi3O8-NaAlSi3O8-CaAl2Si2O8 for mineral 
% equilibrium calculations. Journal of Metamorphic Geology, 1-14.
% Published online as DOI 10.1111/jmg.12639
% 
% E-m   Formula        Mixing sites
%
%         		A                
%         		NaSi    CaAl         
% ab    NaAlSi3O8   	1       0          
% an    CaAl2Si2O8  	0       1          
%
% ca -> xCaA
%
% -------------------------------------------------

abc 2  1

    ca(abc) 0.001
    
% --------------------------------------------------

   p(abm)   1 1    1 1 -1 ca
   p(anm)   1 1    0 1  1 ca
   
% --------------------------------------------------
   asf
     W(abm,anm)   3.4 0 0 
    
    abm   0.64    0  0
    anm   1.00    0  0
    
% --------------------------------------------------
2
   xNaA       1 1    1  1  -1  ca
   xCaA       1 1    0  1  1  ca

% --------------------------------------------------

  abm      1  1  xNaA 1
  make  1  ab  1
  DQF  -1.746 0.002  0 
  check 0
 
  anm      1  1  xCaA 1 
  make  1 an  1
  DQF  10  0  0
  check 1 
% =================================================================



% =================================================================
% ternary feldspar, “4TR” model, with K-feldspar-friendly 
%         parameterisation.
%
% Holland, TJB, Green, ECR & Powell, R (2021). A thermodynamic model
% for feldspars in KAlSi3O8-NaAlSi3O8-CaAl2Si2O8 for mineral 
% equilibrium calculations. Journal of Metamorphic Geology, 1-14.
% Published online as DOI 10.1111/jmg.12639
% 
% E-m   Formula        Mixing sites
%                      A                   TB*            
%                      Na    Ca    K       Al    Si      
% ab    NaAlSi3O8      1     0     0       1     3       
% san   KAlSi3O8       0     0     1       1     3       
% an    CaAl2Si2O8     0     1     0       2     2     
% *use 1/4 entropy of mixing from TB-sites  
%
% na -> xNaA
% ca -> xCaA
% -------------------------------------------------

k4tr  3  1

    na(k4tr)  0.03
    ca(k4tr)  0.8
    
% --------------------------------------------------

   p(ab)   1 1    0 1  1 na
   p(an)   1 1    0 1  1 ca
   p(san)  1 1    1 2 -1 na -1 ca
   
% --------------------------------------------------
   asf
     W(ab,an)   14.6 -0.00935 -0.04
     W(ab,san)  24.1 -0.00957  0.338
     W(an,san)  48.5    0     -0.13
    
    ab   0.674    0  0
    an   0.550    0  0
    san  1.000    0  0
    
% --------------------------------------------------
5
   xNaA       1 1    0 1  1 na
   xCaA       1 1    0 1  1 ca
   xKA        1 1    1 2 -1 na -1 ca
   xAlTB      1 1    1/4  1  1/4  ca
   xSiTB      1 1    3/4  1  -1/4  ca

% --------------------------------------------------

  ab      1.754765  3  xNaA 1  xAlTB 1/4  xSiTB 3/4 
 
  an      2         3  xCaA 1  xAlTB 1/2  xSiTB 1/2  

  san     1.754765  3  xKA  1  xAlTB 1/4  xSiTB 3/4  
% =================================================================





% ===================================================================================
% 
% K-Feldspar:  NCKAS  Cbar1 ASF
%
% REPLACED BY K4TR
%
% Holland, TJB & Powell, R (2003) Activity-composition relations for phases in
% petrological calculations: an asymmetric multicomponent formulation. Contributions
% to Mineralogy and Petrology, 145, 492-501.
%
%
% na(ksp) = Na/(Na + Ca + K)
% ca(ksp) = Ca/(Na + Ca + K)

ksp   3  1
   na(ksp) 0.1
   ca(ksp) 0.004
% --------------------------------------------------
   p(san)    1 1    1 2 -1 na -1 ca
   p(abh)    1 1    0 1  1 na
   p(an)     1 1    0 1  1 ca
% --------------------------------------------------
   asf
   
     W(san,abh)  25.1 -0.0108  0.338
     W(san,an)   40    0     0
     W(abh,an)    3.1   0     0
     
      san  1.0    0  0
      abh   0.643  0  0
      an   1.0    0  0
      
% --------------------------------------------------
   3
   
   x(K)     1 1    1 2 -1 na -1 ca
   x(Na)    1 1    0 1  1 na
   x(Ca)    1 1    0 1  1 ca
   
% --------------------------------------------------

   san      1 1     x(K) 1
	make  1  san  1
	DQF equilibrium  0  0  0
   abh      1 1     x(Na) 1
   an       1 1     x(Ca) 1
      make  1  an  1
      DQF equilibrium  7.03  -0.00466   0

% ==========================================================================================================================
% ternary plag:   Cbar1 ASF  (plc)
%
% REPLACED BY PL4TR
%
% Holland, TJB & Powell, R (2003) Activity-composition relations for phases in
% petrological calculations: an asymmetric multicomponent formulation. Contributions
% to Mineralogy and Petrology, 145, 492-501. 

plc 3  1
    ca(plc) 0.5
    k(plc)  0.03
    
% --------------------------------------------------

   p(abh)    1 1    1 2 -1 k -1 ca
   p(an)    1 1    0 1  1 ca
   p(san)   1 1    0 1  1 k
   
% --------------------------------------------------

   asf
     W(abh,an)   3.1   0     0    
     W(abh,san)  25.1 -0.0108  0.338       
     W(an,san)   40   0     0      
     
    abh   0.643  0  0  	      
    an   1.0    0  0
    san  1.0    0  0
    
% --------------------------------------------------

   3
   x(K)     1 1    0 1  1 k
   x(Na)    1 1    1 2 -1 k -1 ca
   x(Ca)    1 1    0 1  1 ca
% --------------------------------------------------

   abh      1 1     x(Na) 1
      make  1  abh  1         
      DQF  0  0  0  		
   an       1 1     x(Ca) 1
      make  1  an  1
      DQF  equilibrium  7.03  -0.00466   0   
   san      1 1     x(K) 1
      make  1  san  1
      DQF  equilibrium  0  0  0


% ==================================================================================


% ==================================================================================
% ternary plag:   Ibar1 ASF

% Holland, TJB & Powell, R (2003) Activity-composition relations for phases in
% petrological calculations: an asymmetric multicomponent formulation. Contributions
% to Mineralogy and Petrology, 145, 492-501. 

pli 3  1
    ca(pli) 0.8
    k(pli) 0.03
    
% --------------------------------------------------

   p(abh)    1 1    1 2 -1 k -1 ca
   p(an)    1 1    0 1  1 ca
   p(san)   1 1    0 1  1 k
   
% --------------------------------------------------

   asf
     W(abh,an)   15   0     0
     W(abh,san)  25.1 -0.0108  0.338
     W(an,san)   40   0     0
     
    abh   0.643  0  0
    an   1.0    0  0
    san  1.0    0  0
    
% --------------------------------------------------

   3
   x(K)     1 1    0 1  1 k
   x(Na)    1 1    1 2 -1 k -1 ca
   x(Ca)    1 1    0 1  1 ca
% --------------------------------------------------

   abh      1 1     x(Na) 1
      make  1   abh   1
      DQF   0.57  -0.00412   0   

   an       1 1     x(Ca) 1
      make  1  an  1
      DQF equilibrium  0  0  0

   san      1 1     x(K) 1
      make  1  san  1
      DQF equilibrium  0  0  0
   


% ===================================================================================
% Spinel: FMATO
%
% White, RW, Powell, R & Clarke, GL (2002) The interpretation of reaction textures
% in Fe-rich metapelitic granulites of the Musgrave Block, central Australia:
% constraints from mineral equilibria calculations in the system K2O-FeO-MgO-Al2O3-
% SiO2-H2O-TiO2-Fe2O3. Journal of Metamorphic Geology, 20, 41-55.


sp 4  1

 x(sp)    0.9    % Fe2/(Mg + Fe2)
 y(sp)    0.95   % Al/(Al + Fe3 + 2Ti)
 z(sp)    0.01   % 2Ti/(Al + Fe3 + 2Ti)

% --------------------------------------------------
  

  p(herc)  2 1    0  1   1  y
             2   -1  1   1  x    1  1   1  z

  p(sp)    1 2    1  1  -1  x    1  1   1  z

  p(mt)    1 1    1  2  -1  y -1  z

  p(usp)   1 1    0  1   1  z

% --------------------------------------------------

  sf

  W(herc,sp)       0  0  0
  W(herc,mt)    18.5  0  0
  W(herc,usp)     27  0  0
  W(sp,mt)        40  0  0
  W(sp,usp)       30  0  0   
  W(mt,usp)        0  0  0

% --------------------------------------------------

  5     % site fractions

  x(Al)       1 1    0  1  1  y

  x(Fe3)      1 1    1  2 -1  y -1  z

  x(Ti)       1 1    0  1  1  z

  x(Mg)       1 1    1  1 -1  x

  x(Fe2)      1 1    0  1  1  x


% --------------------------------------------------

   herc    1  2    x(Al)  1    x(Fe2)  1
     make  1  herc  1
     DQF equilibrium  0  0  0

   sp      1  2    x(Al)  1    x(Mg)   1

   mt      1  2    x(Fe3) 1    x(Fe2)  1
     make  1  mt  1
     DQF equilibrium  0  0  0

   usp     1  2    x(Ti)  1    x(Fe2)  1



% =====================================================================
% Ilmenite: FTO
%
% White, RW, Powell, R, Holland, TJB & Worley, BA (2000) The effect of TiO2 and
% Fe2O3 on metapelitic assemblages at greenschist and amphibolite facies conditions:
% mineral equilibria calculations in the system K2O-FeO-MgO-Al2O3-SiO2-H2O-TiO2-Fe2O3.
% Journal of Metamorphic Geology, 18, 497-511.
% 
% White et al 2014 extended this model to include Mg (see model 'ilmm')
% but the extended model may be suspect.
%
% x(ilm) = prop ilm
% Q(ilm) =  x(Fe2,A) - x(Fe2,B)
% NOTE: Q(ilm) must have a range of -x to +x
      
ilm 3   1

 x(ilm) 0.80           
 Q(ilm) 0.55   range -0.99 0.99  

% --------------------------------------------------
 

% psub = {ph -> 1 - x, po -> Q, pd -> x - Q};

  p(oilm)  1 1    0  1  1  Q
  
  p(dilm)  1 1    0  2  1  x -1  Q
  
  p(hem)  1 1    1  1 -1  x 
  
% --------------------------------------------------

 sf
  
  W(oilm,dilm)   15.6  0  0 
  W(oilm,hem)   26.6  0  0
  W(dilm,hem)     11  0  0    
 
% --------------------------------------------------
  6     % site fractions
  
% sfsub = {xFe2A -> (x + Q)/2, xTiA -> (x - Q)/2, xFe3A -> 1 - x,
%          xFe2B -> (x - Q)/2, xTiB -> (x + Q)/2, xFe3B -> 1 - x};

  x(Fe2,A)  1 1    0  2  1/2  x  1/2  Q
  
  x(Ti,A)   1 1    0  2  1/2  x -1/2  Q
    
  x(Fe3,A)  1 1    1  1 -1  x 
    
  x(Fe2,B)  1 1    0  2  1/2  x -1/2  Q
    
  x(Ti,B)   1 1    0  2  1/2  x  1/2  Q
    
  x(Fe3,B)  1 1    1  1 -1  x   
  
  
% --------------------------------------------------

   oilm      1  2    x(Fe2,A)  1  x(Ti,B)  1    
         make  1  ilm  1
         DQF  disordered  -13.6075 0.009426 0  % DQF - dH + R Log[4]; dH = 15.6
         check 1 1
               
   dilm      4  4    x(Fe2,A)  1/2   x(Ti,A)  1/2   x(Fe2,B)  1/2   x(Ti,B)  1/2    
         make  1  ilm  1
         DQF   disordered  1.9928 -0.0021 0    % DQF = G(equil,Landau) - G(equil,SF) 
         check 1 0
                
   hem       1  2    x(Fe3,A)  1  x(Fe3,B)  1     
         check 0 0
         make 1 hem 1
	 DQF disordered  0  0  0

% ===========================================================
% -------------------------------------------------
% ilmenite: FMTO
% 
% White, RW, Powell, R, Holland, TJB, Johnson, TE & 
% Green, ECR (2014). New mineral activity-composition relations
% for thermodynamic calculations in metapelitic systems.
% Journal of Metamorphic Geology, 32, 261-286.
%
% This model may give implausibly high Mg contents, in which
% case the older, Mg-free model ilm would be preferable.
%
% coded by axe attack on 14 August 2013
% 
%         A                         B                   
%         Fe    Ti    Mg    Fe3     Fe    Ti    Fe3     
% oilm    1     0     0     0       0     1     0       
% dilm    1/2   1/2   0     0       1/2   1/2   0       
% hem     0     0     0     1       0     0     1       
% geik    0     0     1     0       0     1     0       
%
% i -> 1 - xFe3A
%
% g -> xMgA
%
% Q -> xFeA - xFeB
% -------------------------------------------------
 
ilmm  4  1
 
  i(ilmm)           0.9
  g(ilmm)           0.02
  Q(ilmm)           0.85
% -------------------------------------------------
 
p(oilm)    1 1    0  1  1  Q
 
p(dilm)    1 1    0  3  -1  g   1  i  -1  Q
 
p(hem)     1 1    1  1  -1  i
 
p(geik)    1 1    0  1  1  g
% -------------------------------------------------
sf
W(oilm,dilm)            15.6           0         0
W(oilm,hem)             26.6           0         0
W(oilm,geik)               4           0         0
W(dilm,hem)               11           0         0
W(dilm,geik)               4           0         0
W(hem,geik)               36           0         0
 
% -------------------------------------------------
7
 
xFeA       1 1    0  3  -1/2  g  1/2  i  1/2  Q
 
xTiA       1 1    0  3  -1/2  g  1/2  i  -1/2  Q
 
xMgA       1 1    0  1  1  g
 
xFe3A      1 1    1  1  -1  i
 
xFeB       1 1    0  3  -1/2  g  1/2  i  -1/2  Q
 
xTiB       1 1    0  3  1/2  g  1/2  i  1/2  Q
 
xFe3B      1 1    1  1  -1  i
% -------------------------------------------------
 
oilm    1    2  xFeA 1  xTiB 1  
  check 1  0  1  
  make  1      ilm    1
  DQF    disordered  -13.6075       0.009426           0
 
dilm    4    4  xFeA 1/2  xTiA 1/2  xFeB 1/2  xTiB 1/2  
  check 1  0  0  
  make  1      ilm    1
  DQF   disordered  1.9928        -0.0021           0
 
hem     1    2  xFe3A 1  xFe3B 1  
  check 0  0  0  
  make  1      hem    1
  DQF   disordered    0              0           0
 
geik    1    2  xMgA 1  xTiB 1  
  check 1  1  0  
% =================================================

% ========================================================================================
% epidote: CFASHO
%
% Holland, TJB & Powell, R (2011). An improved and
% extended internally consistent thermodynamic dataset
% for phases of petrological interest, involving a
% new equation of state for solids. 
% Journal of Metamorphic Geology, 29, 333-383.

ep 3  1
  f(ep)        0.1
  Q(ep)        0.2   range 0 0.5

p(cz)    1  1    1  2 -1  f  -1  Q
p(ep)    1  1    0  1  2  Q
p(fep)   1  1    0  2  1  f  -1  Q

sf
  W(cz,ep)         1  0  0
  W(cz,fep)        3  0  0
  W(ep,fep)        1  0  0

  4  

  xFeM1   1  1    0  2  1  f  -1  Q
  xAlM1   1  1    1  2 -1  f   1  Q
  xFeM3   1  1    0  2  1  f   1  Q
  xAlM3   1  1    1  2 -1  f  -1  Q

 cz      1  2      xAlM1  1  xAlM3   1
 ep      1  2      xAlM1  1  xFeM3   1
 fep     1  2      xFeM1  1  xFeM3   1

% ==========================================================================================================================
% biotite: KFMASHO
%
% White, RW, Powell, R, Holland, TJB, Johnson, TE & 
% Green, ECR (2014). New mineral activity-composition relations
% for thermodynamic calculations in metapelitic systems.
% Journal of Metamorphic Geology, 32, 261-286.
% 
% coded by axe attack on 14 August 2013
% 
%         M3                              M12           T             V             
%         Mg    Fe    Fe3   Ti    Al      Mg    Fe      Si    Al      OH    O       
% phl     1     0     0     0     0       2     0       1     1       2     0       
% ann     0     1     0     0     0       0     2       1     1       2     0       
% obi     0     1     0     0     0       2     0       1     1       2     0       
% east    0     0     0     0     1       2     0       0     2       2     0       
% tbi     0     0     0     1     0       2     0       1     1       0     2       
% fbi     0     0     1     0     0       2     0       0     2       2     0       
%
%               2 xFeM12 + xFeM3
% x -> -----------------------------------
%      2 xFeM12 + xFeM3 + 2 xMgM12 + xMgM3
%
% y -> xAlM3
%
% f -> xFe3M3
%
% t -> xTiM3
%
% Q -> 3 (x - xFeM12)
% -------------------------------------------------
 
bi  6  1
 
  x(bi)            0.35
  y(bi)            0.25
  f(bi)            0.04
  t(bi)            0.17
  Q(bi)            0.25
% -------------------------------------------------
 
p(phl)     4 1    1  5  -1  f  -1  t  -1  x  -1  y  -2/3  Q
             2    0  1  1  f    0  1  1  x
             2    0  1  1  t    0  1  1  x
             2    0  1  1  x    0  1  1  y
 
p(ann)     1 1    0  2  -1/3  Q   1  x
 
p(obi)     4 1    0  1   1  Q
             2    0  1  -1  f    0  1  1  x
             2    0  1  -1  t    0  1  1  x
             2    0  1  -1  x    0  1  1  y
 
p(east)    1 1    0  1  1  y
 
p(tbi)     1 1    0  1  1  t
 
p(fbi)     1 1    0  1  1  f
% -------------------------------------------------
sf
W(phl,ann)                12           0         0
W(phl,obi)                 4           0         0
W(phl,east)               10           0         0
W(phl,tbi)                30           0         0
W(phl,fbi)                 8           0         0
W(ann,obi)                 8           0         0
W(ann,east)               15           0         0
W(ann,tbi)                32           0         0
W(ann,fbi)              13.6           0         0
W(obi,east)                7           0         0
W(obi,tbi)                24           0         0
W(obi,fbi)               5.6           0         0
W(east,tbi)               40           0         0
W(east,fbi)                1           0         0
W(tbi,fbi)                40           0         0
 
% -------------------------------------------------
11
 
xMgM3      4 1    1  5  -1  f  -1  t  -1  x  -1  y  -2/3  Q
             2    0  1  1  f    0  1  1  x
             2    0  1  1  t    0  1  1  x
             2    0  1  1  x    0  1  1  y
 
xFeM3      4 1    0  2   1  x  2/3  Q
             2    0  1  -1  f    0  1  1  x
             2    0  1  -1  t    0  1  1  x
             2    0  1  -1  x    0  1  1  y
 
xFe3M3     1 1    0  1  1  f
 
xTiM3      1 1    0  1  1  t
 
xAlM3      1 1    0  1  1  y
 
xMgM12     1 1    1  2  1/3  Q  -1  x
 
xFeM12     1 1    0  2  -1/3  Q   1  x
 
xSiT       1 1    1/2  2  -1/2  f  -1/2  y
 
xAlT       1 1    1/2  2  1/2  f  1/2  y
 
xOHV       1 1    1  1  -1  t
 
xOV        1 1    0  1  1  t
% -------------------------------------------------
 
phl     4    5  xMgM3 1  xMgM12 2  xSiT 1  xAlT 1  xOHV 2  
  check 0  0  0  0  0  
 
ann     4    5  xFeM3 1  xFeM12 2  xSiT 1  xAlT 1  xOHV 2  
  check 1  0  0  0  0  
  make  1      ann    1
  DQF             -3              0           0
 
obi     4    5  xFeM3 1  xMgM12 2  xSiT 1  xAlT 1  xOHV 2  
  check 1/3  0  0  0  1  
  make  2      ann  1/3  phl  2/3
  DQF             -3              0           0
 
east    1    4  xAlM3 1  xMgM12 2  xAlT 2  xOHV 2  
  check 0  1  0  0  0  
 
tbi     4    5  xTiM3 1  xMgM12 2  xSiT 1  xAlT 1  xOV 2  
  check 0  0  0  1  0  
  make  3       br   -1   phl  1    ru  1
  DQF             55              0           0
 
fbi     1    4  xFe3M3 1  xMgM12 2  xAlT 2  xOHV 2  
  check 0  0  1  0  0  
  make  3     andr  1/2  east  1   gr -1/2
  DQF             -3              0           0
% =================================================

% =================================================
% -------------------------------------------------
% muscovite: NCKFMASHO
%
% White, RW, Powell, R, Holland, TJB, Johnson, TE & 
% Green, ECR (2014). New mineral activity-composition relations
% for thermodynamic calculations in metapelitic systems.
% Journal of Metamorphic Geology, 32, 261-286.
% 
% coded by axe attack on 14 August 2013
% 
%         A                   M2A                 M2B           T1            
%         K     Na    Ca      Mg    Fe    Al      Al    Fe3     Si    Al      
% mu      1     0     0       0     0     1       1     0       1     1       
% cel     1     0     0       1     0     0       1     0       2     0       
% fcel    1     0     0       0     1     0       1     0       2     0       
% pa      0     1     0       0     0     1       1     0       1     1       
% ma      0     0     1       0     0     1       1     0       0     2       
% fmu     1     0     0       0     0     1       0     1       1     1       
%
%          xFeM2A
% x -> ---------------
%      xFeM2A + xMgM2A
%
% y -> xAlM2A
%
% f -> xFe3M2B
%
% n -> xNaA
%
% c -> xCaA
% -------------------------------------------------
 
mu  6  1
 
  x(mu)            0.25
  y(mu)            0.6
  f(mu)            0.17
  n(mu)            0.06
  c(mu)            0.004
% -------------------------------------------------
 
p(mu)      1 1    0  4  -1  c  -1  f  -1  n   1  y
 
p(cel)     2 1    1  2  -1  x  -1  y
             2    0  1  1  x    0  1  1  y
 
p(fcel)    2 1    0  1   1  x
             2    0  1  -1  x    0  1  1  y
 
p(pa)      1 1    0  1  1  n
 
p(ma)      1 1    0  1  1  c
 
p(fmu)     1 1    0  1  1  f
% -------------------------------------------------
asf
W(mu,cel)                  0           0       0.2
W(mu,fcel)                 0           0       0.2
W(mu,pa)               10.12      0.0034     0.353
W(mu,ma)                  35           0         0
W(mu,fmu)                  0           0         0
W(cel,fcel)                0           0         0
W(cel,pa)                 45           0      0.25
W(cel,ma)                 50           0         0
W(cel,fmu)                 0           0         0
W(fcel,pa)                45           0      0.25
W(fcel,ma)                50           0         0
W(fcel,fmu)                0           0         0
W(pa,ma)                  15           0         0
W(pa,fmu)                 30           0         0
W(ma,fmu)                 35           0         0
 
a(mu)              0.63         0         0
a(cel)             0.63         0         0
a(fcel)            0.63         0         0
a(pa)              0.37         0         0
a(ma)              0.63         0         0
a(fmu)             0.63         0         0
% -------------------------------------------------
10
 
xKA        1 1    1  2  -1  c  -1  n
 
xNaA       1 1    0  1  1  n
 
xCaA       1 1    0  1  1  c
 
xMgM2A     2 1    1  2  -1  x  -1  y
             2    0  1  1  x    0  1  1  y
 
xFeM2A     2 1    0  1   1  x
             2    0  1  -1  x    0  1  1  y
 
xAlM2A     1 1    0  1  1  y
 
xAlM2B     1 1    1  1  -1  f
 
xFe3M2B    1 1    0  1  1  f
 
xSiT1      1 1    1  2  -1/2  c  -1/2  y
 
xAlT1      1 1    0  2  1/2  c  1/2  y
% -------------------------------------------------
 
mu      4    5  xKA 1  xAlM2A 1  xAlM2B 1  xSiT1 1  xAlT1 1  
  check 0  1  0  0  0  
 
cel     1    4  xKA 1  xMgM2A 1  xAlM2B 1  xSiT1 2  
  check 0  0  0  0  0  
 
fcel    1    4  xKA 1  xFeM2A 1  xAlM2B 1  xSiT1 2  
  check 1  0  0  0  0  
 
pa      4    5  xNaA 1  xAlM2A 1  xAlM2B 1  xSiT1 1  xAlT1 1  
  check 0  1  0  1  0  
 
ma      1    4  xCaA 1  xAlM2A 1  xAlM2B 1  xAlT1 2  
  check 0  1  0  0  1  
  make  1       ma    1
  DQF             5.0              0           0
 
fmu     4    5  xKA 1  xAlM2A 1  xFe3M2B 1  xSiT1 1  xAlT1 1  
  check 0  1  1  0  0  
  make  3     andr  1/2   gr -1/2    mu  1
  DQF             25              0           0
% =================================================

% =================================================
% -------------------------------------------------
% chl: FMASHO
%
% White, RW, Powell, R, Holland, TJB, Johnson, TE & 
% Green, ECR (2014). New mineral activity-composition relations
% for thermodynamic calculations in metapelitic systems.
% Journal of Metamorphic Geology, 32, 261-286.
%
% coded by axe attack on 14 August 2013
% 
%         M1                  M23           M4                        T2            
%         Mg    Fe    Al      Mg    Fe      Mg    Fe    Fe3   Al      Si    Al      
% clin    1     0     0       4     0       0     0     0     1       1     1       
% afchl   1     0     0       4     0       1     0     0     0       2     0       
% ames    0     0     1       4     0       0     0     0     1       0     2       
% daph    0     1     0       0     4       0     0     0     1       1     1       
% ochl1   1     0     0       0     4       0     1     0     0       2     0       
% ochl4   0     1     0       4     0       1     0     0     0       2     0       
% f3clin  1     0     0       4     0       0     0     1     0       1     1       
%
%                   xFeM1 + 4 xFeM23 + xFeM4
% x -> ---------------------------------------------------
%      xFeM1 + 4 xFeM23 + xFeM4 + xMgM1 + 4 xMgM23 + xMgM4
%
%      xAlM1 + xAlM4
% y -> -------------
%            2
%
% f -> xFe3M4
%
%        -xAlM1 + xAlM4
% QAl -> --------------
%              2
%
%               xFeM1
% Q1 -> x - -------------
%           xFeM1 + xMgM1
%
%               xFeM4
% Q4 -> x - -------------
%           xFeM4 + xMgM4
% -------------------------------------------------
 
chl  7  1
 
  x(chl)           0.3
  y(chl)           0.55
  f(chl)           0.02
  QAl(chl)         0.42 range -1 1
  Q1(chl)          -0.18 range -1 1
  Q4(chl)          -0.26 range -1 1
% -------------------------------------------------
 
p(clin)    9 1    0  3  -1/4  Q1  2  QAl  -5/4  Q4
             2    0  1  5/4  f    0  1  1  Q4
             2    0  1  -1/4  Q1    0  1  1  QAl
             2    0  1  5/4  Q4    0  1  1  QAl
             2    0  1  -1  f    0  1  1  x
             2    0  1  -1  QAl    0  1  1  x
             2    0  1  1/4  Q1    0  1  1  y
             2    0  1  5/4  Q4    0  1  1  y
             2    0  1  -1  x    0  1  1  y
 
p(afchl)   9 1    1  6  -1  f  -1  QAl  -1  y  -2  x  5/4  Q1  9/4  Q4
             2    0  1  -9/4  f    0  1  1  Q4
             2    0  1  5/4  Q1    0  1  1  QAl
             2    0  1  -9/4  Q4    0  1  1  QAl
             2    0  1  2  f    0  1  1  x
             2    0  1  1  QAl    0  1  1  x
             2    0  1  -5/4  Q1    0  1  1  y
             2    0  1  -9/4  Q4    0  1  1  y
             2    0  1  3  x    0  1  1  y
 
p(ames)    1 1    0  2  -1  QAl   1  y
 
p(daph)    9 1    0  2  1/4  Q1  5/4  Q4
             2    0  1  -5/4  f    0  1  1  Q4
             2    0  1  1/4  Q1    0  1  1  QAl
             2    0  1  -5/4  Q4    0  1  1  QAl
             2    0  1  1  f    0  1  1  x
             2    0  1  1  QAl    0  1  1  x
             2    0  1  -1/4  Q1    0  1  1  y
             2    0  1  -5/4  Q4    0  1  1  y
             2    0  1  1  x    0  1  1  y
 
p(ochl1)   7 1    0  2  -1  Q4   1  x
             2    0  1  1  f    0  1  1  Q4
             2    0  1  1  Q4    0  1  1  QAl
             2    0  1  -1  f    0  1  1  x
             2    0  1  -1  QAl    0  1  1  x
             2    0  1  1  Q4    0  1  1  y
             2    0  1  -1  x    0  1  1  y
 
p(ochl4)   8 1    0  3   1  x  -5/4  Q1  -5/4  Q4
             2    0  1  5/4  f    0  1  1  Q4
             2    0  1  -5/4  Q1    0  1  1  QAl
             2    0  1  5/4  Q4    0  1  1  QAl
             2    0  1  -1  f    0  1  1  x
             2    0  1  5/4  Q1    0  1  1  y
             2    0  1  5/4  Q4    0  1  1  y
             2    0  1  -2  x    0  1  1  y
 
p(f3clin)   1 1    0  1  1  f
% -------------------------------------------------
sf
W(clin,afchl)             17           0         0
W(clin,ames)              17           0         0
W(clin,daph)              20           0         0
W(clin,ochl1)             30           0         0
W(clin,ochl4)             21           0         0
W(clin,f3clin)             2           0         0
W(afchl,ames)             16           0         0
W(afchl,daph)             37           0         0
W(afchl,ochl1)            20           0         0
W(afchl,ochl4)             4           0         0
W(afchl,f3clin)           15           0         0
W(ames,daph)              30           0         0
W(ames,ochl1)             29           0         0
W(ames,ochl4)             13           0         0
W(ames,f3clin)            19           0         0
W(daph,ochl1)             18           0         0
W(daph,ochl4)             33           0         0
W(daph,f3clin)            22           0         0
W(ochl1,ochl4)            24           0         0
W(ochl1,f3clin)         28.6           0         0
W(ochl4,f3clin)           19           0         0
 
% -------------------------------------------------
11
 
xMgM1      5 1    1  4   1  Q1   1  QAl  -1  x  -1  y
             2    0  1  1  Q1    0  1  1  QAl
             2    0  1  -1  QAl    0  1  1  x
             2    0  1  -1  Q1    0  1  1  y
             2    0  1  1  x    0  1  1  y
 
xFeM1      5 1    0  2  -1  Q1   1  x
             2    0  1  -1  Q1    0  1  1  QAl
             2    0  1  1  QAl    0  1  1  x
             2    0  1  1  Q1    0  1  1  y
             2    0  1  -1  x    0  1  1  y
 
xAlM1      1 1    0  2  -1  QAl   1  y
 
xMgM23     6 1    1  3  -1/4  Q1  -1/4  Q4  -1  x
             2    0  1  1/4  f    0  1  1  Q4
             2    0  1  -1/4  Q1    0  1  1  QAl
             2    0  1  1/4  Q4    0  1  1  QAl
             2    0  1  1/4  Q1    0  1  1  y
             2    0  1  1/4  Q4    0  1  1  y
 
xFeM23     6 1    0  3  1/4  Q1  1/4  Q4   1  x
             2    0  1  -1/4  f    0  1  1  Q4
             2    0  1  1/4  Q1    0  1  1  QAl
             2    0  1  -1/4  Q4    0  1  1  QAl
             2    0  1  -1/4  Q1    0  1  1  y
             2    0  1  -1/4  Q4    0  1  1  y
 
xMgM4      7 1    1  5  -1  f   1  Q4  -1  QAl  -1  x  -1  y
             2    0  1  -1  f    0  1  1  Q4
             2    0  1  -1  Q4    0  1  1  QAl
             2    0  1  1  f    0  1  1  x
             2    0  1  1  QAl    0  1  1  x
             2    0  1  -1  Q4    0  1  1  y
             2    0  1  1  x    0  1  1  y
 
xFeM4      7 1    0  2  -1  Q4   1  x
             2    0  1  1  f    0  1  1  Q4
             2    0  1  1  Q4    0  1  1  QAl
             2    0  1  -1  f    0  1  1  x
             2    0  1  -1  QAl    0  1  1  x
             2    0  1  1  Q4    0  1  1  y
             2    0  1  -1  x    0  1  1  y
 
xFe3M4     1 1    0  1  1  f
 
xAlM4      1 1    0  2   1  QAl   1  y
 
xSiT2      1 1    1  2  -1/2  f  -1  y
 
xAlT2      1 1    0  2  1/2  f   1  y
% -------------------------------------------------
 
clin    4    5  xMgM1 1  xMgM23 4  xAlM4 1  xSiT2 1  xAlT2 1  
  check 0  1/2  0  1/2  0  0  
 
afchl   1    4  xMgM1 1  xMgM23 4  xMgM4 1  xSiT2 2  
  check 0  0  0  0  0  0  
 
ames    1    4  xAlM1 1  xMgM23 4  xAlM4 1  xAlT2 2  
  check 0  1  0  0  0  0  
 
daph    4    5  xFeM1 1  xFeM23 4  xAlM4 1  xSiT2 1  xAlT2 1  
  check 1  1/2  0  1/2  0  0  
 
ochl1   1    4  xMgM1 1  xFeM23 4  xFeM4 1  xSiT2 2  
  check 5/6  0  0  0  5/6  -1/6  
  make  3     afchl  1 clin   -1  daph  1
  DQF             3              0           0
 
ochl4   1    4  xFeM1 1  xMgM23 4  xMgM4 1  xSiT2 2  
  check 1/6  0  0  0  -5/6  1/6  
  make  3     afchl  1 clin -1/5 daph  1/5
  DQF             2.4              0           0
 
f3clin  4    5  xMgM1 1  xMgM23 4  xFe3M4 1  xSiT2 1  xAlT2 1  
  check 0  0  1  0  0  0  
  make  3     andr  1/2  clin  1   gr -1/2
  DQF             2              0           0
% =================================================

ru sph q an ab H2O 

*