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(3) Store selected points to grid.dat

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1. rotational invariance

Procedure:

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rx-movie.mpgry-movie.mpgrz-movie.mpg

psi4 in-built cubic grids

0.002658 001852

0.002320 001895

0.002447 004404

FCC grids

0.001405

0.000830

0.002252

2. translational transitional invariance

tz-movie.mpg

psi4 in-built cubic grids

0.000379 000174

FCC grids

0.000644