ASE database

ID Formula Maximum force Volume Dipole_val Number of atoms ads_site Charge
526 BeCu54 0.010 1730.483 -0.793 55 2h 0.000
527 Cu54B 0.005 1730.483 0.375 55 2h 0.000
528 Cu54C 0.009 1730.483 0.645 55 2h 0.000
529 Cu54N 0.005 1730.483 0.716 55 2h 0.000
530 Cu54O 0.013 1730.483 0.779 55 2h 0.000
531 Cu54F 0.010 1730.483 0.691 55 2h 0.000
532 Cu54Ne 0.010 1730.483 -0.008 55 2h 0.000
533 Cu54Na 0.006 1730.483 -4.509 55 2h 0.000
534 Cu54Mg 0.008 1730.483 -2.586 55 2h 0.000
535 AlCu54 0.008 1730.483 -0.999 55 2h 0.000
536 Cu54Si 0.010 1730.483 0.033 55 2h 0.000
537 Cu54P 0.010 1730.483 0.599 55 2h 0.000
538 Cu54S 0.008 1730.483 0.730 55 2h 0.000
539 Cu54Cl 0.009 1730.483 0.342 55 2h 0.000
540 Cu54Ar 0.011 1730.483 -0.060 55 2h 0.000
541 Cu54H 0.009 1730.483 0.018 55 3h 0.000
542 Cu54He 0.009 1730.483 -0.018 55 3h 0.000
543 Cu54Li 0.010 1730.483 -3.363 55 3h 0.000
544 BeCu54 0.010 1730.483 -0.802 55 3h 0.000
545 Cu54B 0.005 1730.483 0.352 55 3h 0.000
546 Cu54C 0.009 1730.483 0.620 55 3h 0.000
547 Cu54N 0.009 1730.483 0.718 55 3h 0.000
548 Cu54O 0.010 1730.483 0.820 55 3h 0.000
549 Cu54F 0.010 1730.483 0.747 55 3h 0.000
550 Cu54Ne 0.010 1730.483 -0.010 55 3h 0.000