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Units

PyCAC assumes the use of the following defined molecular units:

• The unit of time is $10^{-12}$ seconds (i.e., picoseconds)
• The unit of length is $10^{-10}$ meters (i.e., Angstroms)
• The unit of mass is $1.66053904\times 10^{-27}$ kilograms (i.e., Daltons - unified atomic mass units)
• The unit of energy is $1.602176565\times 10^{-19}$ Joules (i.e., eV)
• The unit of force is $1.602176565\times 10^{-9}$ Newtons (i.e., eV/Angstrom)
• The unit of pressure is $10^9$ Pascales (i.e., GPa)