source: tests/regression/Atoms/Saturate/post/saturated_carbon.xyz

Candidate_v1.6.1
Last change on this file was 3b1c36, checked in by Frederik Heber <heber@…>, 9 years ago

Entered HBondDistance results from VSpeShape into elements_db.

  • we now have single bond distances for all elements from 1 to 37. They are mostly consistent with the old values (but some are not, e.g. for element no 20, but they look like copied).
  • Property mode set to 100644
File size: 167 bytes
Line 
15
2 Created by molecuilder on Wed Sep 30 19:50:39 2015, time step 0
3C 10 10 10
4H 11.0923 10 10
5H 9.63589 11.0299 10
6H 9.63589 9.48507 10.8919
7H 9.63589 9.48507 9.10811
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