surface_data FeOH.dat decouple Fe+++ swap Hematite for Fe+++ 1 free gram Hematite ph 5.3 2.4 mg/kg Ca++ 3.5 mg/kg Mg++ 0.04 mg/kg Ba++ 0.4 mg/kg Na+ 1.2 mg/kg Zn++ 15.0 mg/kg SO4-- 8 mg/kg Cl- go