interactions

Adsorption energy dataset for multiple CO adsorption

In the training set:

• adsorption_constant_Pd4_mCO - Pd4(CO)m
• adsorption_constant_Pd7_mCO - Pd7(CO)m
• adsorption_constant_Pd20_mCO - Pd20(CO)m In the testing set:
• adsorption_constant_Pd9_mCO - Pd9(CO)m
• adsorption_constant_Pd13_mCO - Pd13(CO)m
• adsorption_constant_Pd15_mCO - Pd15(CO)m

co_interactions.json:

• Final optimal interaction values from ordinary least square (OLS) fitting