A list of energy units supported by Aten

Value Description Joule Equivalent
j Joules per mole (J/mol) 1.0
kj KiloJoules per mole (kJ/mol) 1000.0
cal Calories per mole (cal/mol) 4.184
kcal KiloCalories per mole (kcal/mol) 4184.0
K Kelvin (K) 1.0 / (503.2166 / 4184.0)
ev Electronvolts per mole (eV/mol) 96485.14925
ha Hartrees per mole (Ha/mol) 2625494.616