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* ab-initio molecular simulations with FHI-aims
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* ca. 400 files (Gaussian cube, 1 per time step) with each:
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* 51x51x97 zones (electron density tabulated on an equidistant Cartesian grid)
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* positions and identities of 35 atoms
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* 51x51x97 zones (electron density tabulated on an equidistant Cartesian grid)
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* positions and identities of 35 atoms
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* location of the data on MPCDF's pRVS:
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```
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/hydra/u/mjr/public/NOMAD-VIZ/cubes-smaller
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```
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