ASE database

Displaying rows 526-8 out of 8
↓ ID ✕ Formula ✕ Charge ✕ Maximum force ✕ Dipole_val ✕ Calculator ✕ slab_E ✕ PBC ✕
526 BeCu54 0.000 0.010 -0.793 vasp -192.845 TTT
527 Cu54B 0.000 0.005 0.375 vasp -192.845 TTT
528 Cu54C 0.000 0.009 0.645 vasp -192.845 TTT
529 Cu54N 0.000 0.005 0.716 vasp -192.845 TTT
530 Cu54O 0.000 0.013 0.779 vasp -192.845 TTT
531 Cu54F 0.000 0.010 0.691 vasp -192.845 TTT
532 Cu54Ne 0.000 0.010 -0.008 vasp -192.845 TTT
533 Cu54Na 0.000 0.006 -4.509 vasp -192.845 TTT
534 Cu54Mg 0.000 0.008 -2.586 vasp -192.845 TTT
535 AlCu54 0.000 0.008 -0.999 vasp -192.845 TTT
536 Cu54Si 0.000 0.010 0.033 vasp -192.845 TTT
537 Cu54P 0.000 0.010 0.599 vasp -192.845 TTT
538 Cu54S 0.000 0.008 0.730 vasp -192.845 TTT
539 Cu54Cl 0.000 0.009 0.342 vasp -192.845 TTT
540 Cu54Ar 0.000 0.011 -0.060 vasp -192.845 TTT
541 Cu54H 0.000 0.009 0.018 vasp -192.845 TTT
542 Cu54He 0.000 0.009 -0.018 vasp -192.845 TTT
543 Cu54Li 0.000 0.010 -3.363 vasp -192.845 TTT
544 BeCu54 0.000 0.010 -0.802 vasp -192.845 TTT
545 Cu54B 0.000 0.005 0.352 vasp -192.845 TTT
546 Cu54C 0.000 0.009 0.620 vasp -192.845 TTT
547 Cu54N 0.000 0.009 0.718 vasp -192.845 TTT
548 Cu54O 0.000 0.010 0.820 vasp -192.845 TTT
549 Cu54F 0.000 0.010 0.747 vasp -192.845 TTT
550 Cu54Ne 0.000 0.010 -0.010 vasp -192.845 TTT