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pietki8q authored Oct 30, 2022
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If the job is finished successfully, data is collected and a simple
post-processing is conducted \label{fig:workflow}](workflow.pdf)

\pagebreak

1. *Input from user*

The user specifies the materials simulation software and the usage of the scheduler system or localhost.
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binding energy and bulk modulus in one JSON file for all given structures of a given chemical element
or compound.

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# Acknowledgements

The authors acknowledge funding by the Deutsche Forschungsgemeinschaft (DFG) through project C1
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