ASE database

ID Formula Mass ads_site Number of atoms ads_E PBC Maximum force
426 Cu54Mg 3455.789 0t 55 -1.176 TTT 0.007
427 AlCu54 3458.466 0t 55 -2.620 TTT 0.005
428 Cu54Si 3459.569 0t 55 -3.227 TTT 0.009
429 Cu54P 3462.458 0t 55 -2.572 TTT 0.009
430 Cu54S 3463.544 0t 55 -3.243 TTT 0.012
431 Cu54Cl 3466.934 0t 55 -3.050 TTT 0.017
432 Cu54Ar 3471.432 0t 55 0.020 TTT 0.009
433 Cu54H 3432.492 2b 55 -2.300 TTT 0.008
434 Cu54He 3435.487 2b 55 0.026 TTT 0.009
435 Cu54Li 3438.424 2b 55 -2.057 TTT 0.003
436 BeCu54 3440.496 2b 55 -2.058 TTT 0.007
437 Cu54B 3442.294 2b 55 -3.771 TTT 0.010
438 Cu54C 3443.495 2b 55 -4.389 TTT 0.003
439 Cu54N 3445.491 2b 55 -3.143 TTT 0.009
440 Cu54O 3447.483 2b 55 -4.558 TTT 0.008
441 Cu54F 3450.482 2b 55 -4.292 TTT 0.007
442 Cu54Ne 3451.664 2b 55 0.022 TTT 0.010
443 Cu54Na 3454.474 2b 55 -1.697 TTT 0.008
444 Cu54Mg 3455.789 2b 55 -1.365 TTT 0.009
445 AlCu54 3458.466 2b 55 -2.893 TTT 0.009
446 Cu54Si 3459.569 2b 55 -3.756 TTT 0.008
447 Cu54P 3462.458 2b 55 -3.368 TTT 0.009
448 Cu54S 3463.544 2b 55 -4.102 TTT 0.006
449 Cu54Cl 3466.934 2b 55 -3.397 TTT 0.015
450 Cu54Ar 3471.432 2b 55 0.021 TTT 0.008