ASE database

ID Formula Number of atoms plane_index Dipole_val atom_E str_E
526 BeCu54 55 111 -0.793 -0.039 -195.504
527 Cu54B 55 111 0.375 -0.349 -197.683
528 Cu54C 55 111 0.645 -1.250 -199.306
529 Cu54N 55 111 0.716 -3.120 -199.897
530 Cu54O 55 111 0.779 -1.530 -199.470
531 Cu54F 55 111 0.691 -0.424 -197.506
532 Cu54Ne 55 111 -0.008 -0.013 -192.866
533 Cu54Na 55 111 -4.509 -0.225 -195.024
534 Cu54Mg 55 111 -2.586 -0.004 -194.558
535 AlCu54 55 111 -0.999 -0.295 -196.341
536 Cu54Si 55 111 0.033 -0.830 -197.812
537 Cu54P 55 111 0.599 -1.890 -198.589
538 Cu54S 55 111 0.730 -0.945 -198.348
539 Cu54Cl 55 111 0.342 -0.243 -196.487
540 Cu54Ar 55 111 -0.060 -0.025 -192.878
541 Cu54H 55 111 0.018 -1.117 -196.520
542 Cu54He 55 111 -0.018 0.002 -192.846
543 Cu54Li 55 111 -3.363 -0.299 -195.476
544 BeCu54 55 111 -0.802 -0.039 -195.497
545 Cu54B 55 111 0.352 -0.349 -197.667
546 Cu54C 55 111 0.620 -1.248 -199.261
547 Cu54N 55 111 0.718 -3.124 -199.816
548 Cu54O 55 111 0.820 -1.533 -199.380
549 Cu54F 55 111 0.747 -0.424 -197.474
550 Cu54Ne 55 111 -0.010 -0.013 -192.866