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Total Force

Scalar Mechanical

Similarly to the average pressure, the Total Force is also treated as a Scalar property, defined as the norm (or magnitude) of the net vector sum of the individual atomic forces, summed across all atoms present in the crystal structure under consideration.


This material property is displayed under the Results Tab of Job Viewer as follows, in units of eV/Angstroms. It it also routinely computed as part of any total energy self-consistent field (scf) calculation using DFT.

Total force



The JSON schema and an example representation for this property can be found here.