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optimade.rst

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 Trajectories Entries
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 - **Description**: The :entry:`trajectories` entry point contains data belonging to a set of structures. These structures are related because they were, for example, created by the same procedure, e.g. molecular dynamic trajectories, relaxations of a molecule or crystal structure, Monte Carlo simulations, etc. Some examples of the data that can be shared are the particle positions, the pressure and the energies. :entry:`trajectories` entries have the properties described in the section `Properties Used by Multiple Entry Types`_ as well as the following properties `reference\_structure`_, `reference\_frame`_, `nframes`_, `available_properties`_ and `next_part_trajectory`_. Next to this they can optionally have all the fields of the structures entries, including relationships, as well as database specific fields.
 
   The `reference\_structure`_ is an example of the kind of structures that are in the trajectory, and it is used to query the trajectory entries in the same way as the structures entries. The data belonging to the frames of the trajectory is only returned when this is specifically requested in the :query-param:`response_fields` parameter. In this case each property has a dictionary as a value which contains the values of this property and information about which value belongs to which frame. It is possible to request only part of a trajectory and to request only 1 out of every n frames. Queries on individual frames are currently not supported.