ASE database

ID Formula Number of atoms plane_index Dipole_val atom_E str_E distance
526 BeCu54 55 111 -0.793 -0.039 -195.504 1.451
527 Cu54B 55 111 0.375 -0.349 -197.683 1.151
528 Cu54C 55 111 0.645 -1.250 -199.306 0.969
529 Cu54N 55 111 0.716 -3.120 -199.897 0.961
530 Cu54O 55 111 0.779 -1.530 -199.470 1.074
531 Cu54F 55 111 0.691 -0.424 -197.506 1.412
532 Cu54Ne 55 111 -0.008 -0.013 -192.866 3.642
533 Cu54Na 55 111 -4.509 -0.225 -195.024 2.382
534 Cu54Mg 55 111 -2.586 -0.004 -194.558 2.028
535 AlCu54 55 111 -0.999 -0.295 -196.341 1.816
536 Cu54Si 55 111 0.033 -0.830 -197.812 1.653
537 Cu54P 55 111 0.599 -1.890 -198.589 1.587
538 Cu54S 55 111 0.730 -0.945 -198.348 1.587
539 Cu54Cl 55 111 0.342 -0.243 -196.487 1.825
540 Cu54Ar 55 111 -0.060 -0.025 -192.878 3.872
541 Cu54H 55 111 0.018 -1.117 -196.520 0.924
542 Cu54He 55 111 -0.018 0.002 -192.846 3.741
543 Cu54Li 55 111 -3.363 -0.299 -195.476 2.030
544 BeCu54 55 111 -0.802 -0.039 -195.497 1.445
545 Cu54B 55 111 0.352 -0.349 -197.667 1.126
546 Cu54C 55 111 0.620 -1.248 -199.261 0.945
547 Cu54N 55 111 0.718 -3.124 -199.816 0.958
548 Cu54O 55 111 0.820 -1.533 -199.380 1.094
549 Cu54F 55 111 0.747 -0.424 -197.474 1.440
550 Cu54Ne 55 111 -0.010 -0.013 -192.866 3.613