observer.xyz

File containing atomistic positions, velocities and forces. It is generated when invoking the dump_observer keyword.

• In the case of dump_observer being in observe mode, an XYZ-file for each potential will be written with the potential index in the run.in-file appended to the filename. For example, observer0.xyz corresponding to the first NEP potential specified in run.in, observer1.xyz to the second, and so forth.

• In the case of mode being average, only a single file will be written, corresponding to the average of the supplied NEP potentials.

File format

This file is in the extended XYZ format. The output mode for this file is append.