ASE database

ID Formula Username Number of atoms Maximum force Maximum stress Energy
526 BeCu54 hecc 55 0.010 0.008 -195.504
527 Cu54B hecc 55 0.005 0.006 -197.683
528 Cu54C hecc 55 0.009 0.006 -199.306
529 Cu54N hecc 55 0.005 0.005 -199.897
530 Cu54O hecc 55 0.013 0.005 -199.470
531 Cu54F hecc 55 0.010 0.006 -197.506
532 Cu54Ne hecc 55 0.010 0.007 -192.866
533 Cu54Na hecc 55 0.006 0.008 -195.024
534 Cu54Mg hecc 55 0.008 0.007 -194.558
535 AlCu54 hecc 55 0.008 0.007 -196.341
536 Cu54Si hecc 55 0.010 0.006 -197.812
537 Cu54P hecc 55 0.010 0.006 -198.589
538 Cu54S hecc 55 0.008 0.006 -198.348
539 Cu54Cl hecc 55 0.009 0.006 -196.487
540 Cu54Ar hecc 55 0.011 0.007 -192.878
541 Cu54H hecc 55 0.009 0.007 -196.520
542 Cu54He hecc 55 0.009 0.007 -192.846
543 Cu54Li hecc 55 0.010 0.008 -195.476
544 BeCu54 hecc 55 0.010 0.007 -195.497
545 Cu54B hecc 55 0.005 0.006 -197.667
546 Cu54C hecc 55 0.009 0.005 -199.261
547 Cu54N hecc 55 0.009 0.005 -199.816
548 Cu54O hecc 55 0.010 0.006 -199.380
549 Cu54F hecc 55 0.010 0.006 -197.474
550 Cu54Ne hecc 55 0.010 0.007 -192.866