ASE database

Displaying rows 551-575 out of 594
↓ ID ✕ Formula ✕ Username ✕ Mass ✕ Calculator ✕ slab_E ✕ str_E ✕ Maximum force ✕
551 Cu54Na hecc 3454.474 vasp -192.845 -195.024 0.009
552 Cu54Mg hecc 3455.789 vasp -192.845 -194.556 0.005
553 AlCu54 hecc 3458.466 vasp -192.845 -196.324 0.008
554 Cu54Si hecc 3459.569 vasp -192.845 -197.777 0.009
555 Cu54P hecc 3462.458 vasp -192.845 -198.547 0.004
556 Cu54S hecc 3463.544 vasp -192.845 -198.308 0.009
557 Cu54Cl hecc 3466.934 vasp -192.845 -196.481 0.009
558 Cu54Ar hecc 3471.432 vasp -192.845 -192.878 0.009
559 Cu54H hecc 3432.492 vasp -192.845 -196.523 0.006
560 Cu54He hecc 3435.487 vasp -192.845 -192.846 0.006
561 Cu54Li hecc 3438.424 vasp -192.845 -195.466 0.007
562 BeCu54 hecc 3440.496 vasp -192.845 -195.474 0.009
563 Cu54B hecc 3442.294 vasp -192.845 -197.691 0.008
564 Cu54C hecc 3443.495 vasp -192.845 -199.256 0.010
565 Cu54N hecc 3445.491 vasp -192.845 -199.896 0.008
566 Cu54O hecc 3447.483 vasp -192.845 -199.469 0.007
567 Cu54F hecc 3450.482 vasp -192.845 -197.505 0.009
568 Cu54Ne hecc 3451.664 vasp -192.845 -192.866 0.007
569 Cu54Na hecc 3454.474 vasp -192.845 -195.018 0.006
570 Cu54Mg hecc 3455.789 vasp -192.845 -194.540 0.010
571 AlCu54 hecc 3458.466 vasp -192.845 -196.341 0.010
572 Cu54Si hecc 3459.569 vasp -192.845 -197.812 0.010
573 Cu54P hecc 3462.458 vasp -192.845 -198.588 0.006
574 Cu54S hecc 3463.544 vasp -192.845 -198.347 0.008
575 Cu54Cl hecc 3466.934 vasp -192.845 -196.406 0.011