| comments are indicated by the | character.
 | check for warnings at the end of the header section.

Stixrude & Lithgow-B. EPSL '07      |<= data base title

begin_standard_variables |<= name (<9 characters), reference value, tolerance
P(bar)      1.00    1.   
T(K)      300.00    1.   
Y(CO2)      0.00   0.1E-6
mu(C1)      0.00   0.1E-2
mu(C2)      0.00   0.1E-2
end_standard_variables

tolerance  -1.     |<= DTOL for unconstrained minimization, energy units

begin_components |<= name (<5 characters), molar weight (g)
MGO     40.3200
AL2O3  101.9400
SIO2    60.0900
CAO     56.0800
FEO     71.8500
end_components
      
     
Stixrude & Lithgow-Bertelloni '07 EPSL data base is for high pressure phase relations 
and seismic velocities. The data base is for a specialized EoS, the non-zero parameters                          
stored here are (in order):     
     
 f0  -n -v0  k0 k0' td  gam0  q  etaS0 Sconf g0 g0'        
     
data augmented for mg-ppv as follows                       
     
bulk elastic properties, volume from oganov                
F0 and debye and q adjusted to match 80 bar/K clapeyon slope for pv-ppv at 2500 K 130 GPa (and                   
minimize discrepancy with oganov's gruneisen T).           
mu0p for perovskite from stixtude epsl 07                  
etas0, mu0 - to fit values for shear modulus from Wentzcovitch et al PNAS '06, +2% estimated error (table 1)     
     
# appv v0, k0, k0' from oganov and ono PNAS 05 (0 K values), F0 used to match         
appv v0, k0, k0' from ono et al (EPSL 06), f0, theta0 to match enthalpies of oganov and ono, all other           
props those of ppv.             
     
     
aapv fppv use properties of mg-ppv with reference state energy adjusted to            
match exchange data of oganov.  
     
for fppv K ~ 5.1 at 120 GPa 1700 K                         
for appv K ~ 0.268 at 120 GPa 2500 K, this is consistent with the oganov              
al2o3 phase diagram as it places the metastable cor=appv boundary at 105 GPa          
(with theta0 adjusted to give a clapeyron slope of -93 bar/K).                        
     
This data base should be used in conjunction with the solution models:                
     
C2/c(stx), Opx(stx), Gt(stx), Cpx(stx7), Aki(stx7), Wus(stx7), Pv(stx7),              
Sp(stx7), O(stx7), Wad(stx7), Ring(stx7), Ppv(og)          
     
in solut_09.dat                 
             
end   |<= end of header section                          
 
an       EoS = 6 |  Anorthite      CaAl2Si2O8                          
AL2O3(1)SIO2(2)CAO(1)
G0 = -4006000 S0 = -13 V0 = -10.061  
c1 = 840000 c2 = 4 c3 = 752 c4 = .39 c5 = 1 c6 = 1.6  
m0 = 400000 m1 = 1.1  
end

     |  22d3  0 0.1  50d3  10 2 0.05 1 1 30d3  .5           
 
sp       EoS = 6 |  Spinel         (Mg3Al1)(Al7Mg1)O16                 
MGO(4)AL2O3(4)
G0 = -8666000 S0 = -28 V0 = -15.905  
c1 = 1970000 c2 = 5.7 c3 = 878 c4 = 1.02 c5 = 2.8 c6 = 2.7 c7 = 43.76  
m0 = 1090000 m1 = .4  
end

     |  28d3  0 0.16 10d3  2 247 .04 .6 .6 100d3  .5        
 
herc     EoS = 6 |  Hercynite      (Fe3Al1)(Al7Fe1)O16                 
AL2O3(4)FEO(4)
G0 = -7312000 S0 = -28 V0 = -16.337  
c1 = 2090000 c2 = 5.7 c3 = 768 c4 = 1.21 c5 = 2.8 c6 = 2.8 c7 = 97.28  
m0 = 850000 m1 = .4  
end

     |  35d3  0 0.16  20d3  1 23 0.07 1 1   130d3  .5       
 
fo       EoS = 6 |  Forsterite     Mg2SiO4  
MGO(2)SIO2(1)
G0 = -2055000 S0 = -7 V0 = -4.36  
c1 = 1280000 c2 = 4.2 c3 = 809 c4 = .99 c5 = 2.1 c6 = 2.4  
m0 = 820000 m1 = 1.4  
end

     |  2d3  0 0.044 20d3  .2 1 0.03 .2 .1 20d3 .1          
 
fa       EoS = 6 |  Fayalite       Fe2SiO4  
SIO2(1)FEO(2)
G0 = -1379000 S0 = -7 V0 = -4.629  
c1 = 1350000 c2 = 4.2 c3 = 619 c4 = 1.06 c5 = 3.6 c6 = 1.1 c7 = 26.76  
m0 = 510000 m1 = 1.4  
end

     |  2d3  0 0.046 20d3  1  2 0.07 1 .6  20d3  .5         
 
wad      EoS = 6 |  Mg-Wadsleyite  Mg2SiO4  
MGO(2)SIO2(1)
G0 = -2027000 S0 = -7 V0 = -4.052  
c1 = 1690000 c2 = 4.3 c3 = 849 c4 = 1.21 c5 = 2 c6 = 2.7  
m0 = 1120000 m1 = 1.4  
end

     |  1d3  0 0.041 30d3  .2 4 0.09 1 .4  20d3  .2         
 
fwad     EoS = 6 |  Fe-Wadsleyite  Fe2SiO4  
SIO2(1)FEO(2)
G0 = -1370000 S0 = -7 V0 = -4.28  
c1 = 1690000 c2 = 4.3 c3 = 656 c4 = 1.21 c5 = 2 c6 = 1.1 c7 = 26.76  
m0 = 720000 m1 = 1.4  
end

     |  10d3  0 0.043 130d3  1 27 .3  1 1   120d3 .5        
 
ring     EoS = 6 |  Mg-Ringwoodite Mg2SiO4  
MGO(2)SIO2(1)
G0 = -2018000 S0 = -7 V0 = -3.949  
c1 = 1830000 c2 = 4.1 c3 = 889 c4 = 1.09 c5 = 2.8 c6 = 2.7  
m0 = 1200000 m1 = 1.3  
end

     |  2d3  0 0.039 20d3  .2 6 .10  .4 .5 20d3  .1         
 
fring    EoS = 6 |  Fe-Ringwoodite Fe2SiO4  
SIO2(1)FEO(2)
G0 = -1365000 S0 = -7 V0 = -4.186  
c1 = 1990000 c2 = 4.1 c3 = 648 c4 = 1.17 c5 = 2.8 c6 = 2.1 c7 = 26.76  
m0 = 950000 m1 = 1.3  
end

     |  2d3  0 0.042 70d3   1 8 .22  1 1  100d3  .5         
 
en       EoS = 6 |  Enstatite      Mg4Si4O12                           
MGO(4)SIO2(4)
G0 = -5827000 S0 = -20 V0 = -12.535  
c1 = 1070000 c2 = 7 c3 = 809 c4 = .89 c5 = .3 c6 = 2.1  
m0 = 770000 m1 = 1.6  
end

     |  6d3  0 0.125 20d3   .4 8 .04   1.1 .5 10d3  .1      
 
fs       EoS = 6 |  Ferrosilite    Fe4Si4O12                           
SIO2(4)FEO(4)
G0 = -4453000 S0 = -20 V0 = -13.188  
c1 = 1000000 c2 = 7 c3 = 653 c4 = .75 c5 = .3 c6 = 1 c7 = 53.52  
m0 = 520000 m1 = 1.6  
end

     |   8d3  0 0.132 40d3   .5 14 .08  1 1 50d3  .5        
 
ts       EoS = 6 |  Mg-Tschermaks (Mg2Al2)Si2Al2O12    4 site config entropy!                     
MGO(2)AL2O3(2)SIO2(2)
G0 = -6005000 S0 = -20 V0 = -12.05  
c1 = 1070000 c2 = 7 c3 = 833 c4 = .89 c5 = .3 c6 = 2.1 c7 = 23.05  
m0 = 890000 m1 = 1.6  
end

     |   19d3  0 0.121 100d3  1  27 .3   1 1 100d3  .5      
 
c2/c     EoS = 6 |  Mg-C2/c        Mg4Si4O12                           
MGO(4)SIO2(4)
G0 = -5811000 S0 = -20 V0 = -12.152  
c1 = 1210000 c2 = 5.5 c3 = 824 c4 = 1.16 c5 = .8 c6 = 2.4  
m0 = 900000 m1 = 1.5  
end

     |  6d3  0 0.122 10d3   .3 7  .05  .5 .5 10d3  .1       
 
fc2/c    EoS = 6 |  Fe-C2/c        Fe4Si4O12                           
SIO2(4)FEO(4)
G0 = -4447000 S0 = -20 V0 = -12.759  
c1 = 1210000 c2 = 5.5 c3 = 672 c4 = 1.16 c5 = .8 c6 = 1.2 c7 = 53.52  
m0 = 710000 m1 = 1.5  
end

     |   8d3  0 0.128 100d3  1 11  .30  1 1 100d3  .5       
 
di       EoS = 6 |  Diopside       Ca2Mg2Si4O12                        
MGO(2)SIO2(4)CAO(2)
G0 = -6060000 S0 = -20 V0 = -13.208  
c1 = 1120000 c2 = 5.2 c3 = 782 c4 = .96 c5 = 1.5 c6 = 1.6  
m0 = 670000 m1 = 1.4  
end

     |   6d3  0 0.132 50d3   1.8 5 .05  2 1 20d3  .5        
 
hed      EoS = 6 |  Hedenbergite   Ca2Fe2Si4O12                        
SIO2(4)CAO(2)FEO(2)
G0 = -5353000 S0 = -20 V0 = -13.573  
c1 = 1190000 c2 = 5.2 c3 = 702 c4 = .93 c5 = 1.5 c6 = 1.6 c7 = 26.76  
m0 = 610000 m1 = 1.2  
end

     |  50d3  0 0.136 40d3   1 4   .06  1 1 10d3  .5        
 
mdi      EoS = 6 |  Mg-Diopside    Mg2Mg2Si4O12                        
MGO(4)SIO2(4)
G0 = -5796000 S0 = -20 V0 = -12.6  
c1 = 1120000 c2 = 5.2 c3 = 782 c4 = .96 c5 = 1.5 c6 = 1.6  
m0 = 760000 m1 = 1.6  
end

     |  14d3  0 0.126 100d3  1 14  .30  1 1 100d3  .5       
 
py       EoS = 6 |  Pyrope         Mg3Al1Al1Si3O12                     
MGO(3)AL2O3(1)SIO2(3)
G0 = -5928000 S0 = -20 V0 = -11.308  
c1 = 1700000 c2 = 4.1 c3 = 823 c4 = 1.01 c5 = 1.4 c6 = 1  
m0 = 940000 m1 = 1.3  
end

     |     5d3  0 0.113 20d3   .3 4  .06  .5 .3 20d3  .2    
 
alm      EoS = 6 |  Almandine      Fe3Al1Al1Si3O12                     
AL2O3(1)SIO2(3)FEO(3)
G0 = -4940000 S0 = -20 V0 = -11.543  
c1 = 1770000 c2 = 4.1 c3 = 742 c4 = 1.1 c5 = 1.4 c6 = 2.2 c7 = 40.14  
m0 = 980000 m1 = 1.3  
end

     |  11d3  0 0.115 30d3   .3 5  .06  1 1 30d3  .5        
 
gr       EoS = 6 |  Grossular      Ca3Al1Al1Si3O12                     
AL2O3(1)SIO2(3)CAO(3)
G0 = -6258000 S0 = -20 V0 = -12.512  
c1 = 1670000 c2 = 5.5 c3 = 826 c4 = 1.08 c5 = .4 c6 = 2.4  
m0 = 1080000 m1 = 1.1  
end

     |  56d3  0 0.125 10d3   .4 2  .06 .4 .2 10d3  .2       
 
maj      EoS = 6 |  Majorite       Mg3Mg1Si1Si3O12  No configurational entropy!                   
MGO(4)SIO2(4)
G0 = -5691000 S0 = -20 V0 = -11.432  
c1 = 1650000 c2 = 4.2 c3 = 825 c4 = .97 c5 = 1.5 c6 = .8  
m0 = 850000 m1 = 1.4  
end

     |  5d3  0 0.114 30d3   .3 4  .07 .5 .3 20d3  .2        
 
aki      EoS = 6 |  Mg-Akimotoite  MgSiO3      (ilmenite structure)    
MGO(1)SIO2(1)
G0 = -1406000 S0 = -5 V0 = -2.635  
c1 = 2110000 c2 = 4.5 c3 = 912 c4 = 1.21 c5 = 1.3 c6 = 2.7  
m0 = 1320000 m1 = 1.6  
end

     |    1d3  0 0.026 40d3   .5 5  .13  1 1 80d3  .5       
 
faki     EoS = 6 |  Fe-Akimotoite  FeSiO3   
SIO2(1)FEO(1)
G0 = -1046000 S0 = -5 V0 = -2.685  
c1 = 2110000 c2 = 4.5 c3 = 725 c4 = 1.21 c5 = 1.3 c6 = 3.5 c7 = 13.38  
m0 = 1570000 m1 = 1.6  
end

     |   29d3  0 0.027 100d3  1  118 .30 1 1 100d3  .5      
 
cor      EoS = 6 |  corundum  Al2O3         
AL2O3(1)
G0 = -1583000 S0 = -5 V0 = -2.558  
c1 = 2530000 c2 = 4.3 c3 = 933 c4 = 1.32 c5 = 1.3 c6 = 2.8  
m0 = 1630000 m1 = 1.6  
end

     |   4d3  0 0.026 50d3   .2 3  .04  .2 .2 20d3  .1      
 
perov    EoS = 6 |  Mg-Perovskite  MgSiO3   
MGO(1)SIO2(1)
G0 = -1362000 S0 = -5 V0 = -2.445  
c1 = 2510000 c2 = 4.1 c3 = 888 c4 = 1.44 c5 = 1.4 c6 = 2.6  
m0 = 1750000 m1 = 1.7  
end

     |  1d3  0 0.024 30d3   .1 4  .05 .5 .6 20d3  .2        
 
aperov   EoS = 6 |  Al-Perovskite  Al2O3    
AL2O3(1)
G0 = -1518000 S0 = -5 V0 = -2.549  
c1 = 2280000 c2 = 4.1 c3 = 903 c4 = 1.44 c5 = 1.4 c6 = 2.9  
m0 = 1590000 m1 = 1.7  
end

     |  7d3  0 0.025 100d3  .5 36 .30 1  1 100d3  .5        
 
fperov   EoS = 6 |  Fe-Perovskite  FeSiO3     was 42                   
SIO2(1)FEO(1)
G0 = -1009000 S0 = -5 V0 = -2.54  
c1 = 2810000 c2 = 4.1 c3 = 700 c4 = 1.44 c5 = 1.4 c6 = 2 c7 = 13.38  
m0 = 1380000 m1 = 1.7  
end

     |    3d3  0 0.025 400d3  1 10  .30 1 1 400d3  .5       
 
ca-pv    EoS = 6 |  Ca-Perovskite  CaSiO3   
SIO2(1)CAO(1)
G0 = -1447000 S0 = -5 V0 = -2.745  
c1 = 2360000 c2 = 3.9 c3 = 725 c4 = 1.47 c5 = 1.7 c6 = 2.2  
m0 = 1650000 m1 = 2.5  
end

     |   5d3  0 0.027 40d3   .2 28 .07  1.6 1 120d3  .5     
 
per      EoS = 6 |  Periclase      MgO      
MGO(1)
G0 = -569000 S0 = -2 V0 = -1.124  
c1 = 1610000 c2 = 3.9 c3 = 773 c4 = 1.5 c5 = 1.5 c6 = 2.3  
m0 = 1300000 m1 = 2.2  
end

     |  1d3  0 0.011 30d3   .2 9  .02 .2 .2 30d3  .1        
 
wus      EoS = 6 |  Wuestite      FeO       
FEO(1)
G0 = -245000 S0 = -2 V0 = -1.226  
c1 = 1790000 c2 = 4.9 c3 = 417 c4 = 1.53 c5 = 1.5 c6 = .6 c7 = 13.38  
m0 = 470000 m1 = .7  
end

     |  1d3  0 0.012 10d3   .2 7  .13 1 1 10d3  .1          
 
stv      EoS = 6 |  Stishovite     SiO2     
SIO2(1)
G0 = -811044 S0 = -3 V0 = -1.402  
c1 = 3142990 c2 = 4.391 c3 = 1020.88 c4 = 1.334 c5 = 2.401 c6 = 4.957  
m0 = 2200000 m1 = 1.61  
end

     |  2d3  0 0.014 80d3   .2 21 .17 2.2 1 120d3  .5       
 
ppv      EoS = 6 |  Mg-Post-Perovskite  MgSiO3                         
MGO(1)SIO2(1)
G0 = -1323252 S0 = -5 V0 = -2.403  
c1 = 2500850 c2 = 4.04 c3 = 908.6 c4 = 1.56 c5 = 1.68 c6 = 1.9  
m0 = 1890000 m1 = 1.7  
end

     |  1d3  0 0.024 30d3   .1 4  .05 .5 .6 20d3  .2        
 
appv     EoS = 6  
AL2O3(1)
G0 = -1383508 S0 = -5 V0 = -2.385  
c1 = 2490000 c2 = 4 c3 = 776 c4 = 1.56 c5 = 1.68 c6 = 1.9  
m0 = 1890000 m1 = 1.7  
end

     |  1d3  0 0.024 30d3   .1 4  .05 .5 .6 20d3  .2        
 
fppv     EoS = 6 |  Fe-Post-Perovskite  FeSiO3                         
SIO2(1)FEO(1)
G0 = -881000 S0 = -5 V0 = -2.403  
c1 = 2500850 c2 = 4.04 c3 = 908.6 c4 = 1.56 c5 = 1.68 c6 = 1.9  
m0 = 1890000 m1 = 1.7  
end

     |  1d3  0 0.024 30d3   .1 4  .05 .5 .6 20d3  .2