ASE database

ID Formula Charge Magnetic moment slab_E atom_E Maximum force
551 Cu54Na 0.000 -0.000 -192.845 -0.225 0.009
552 Cu54Mg 0.000 -0.000 -192.845 -0.004 0.005
553 AlCu54 0.000 0.000 -192.845 -0.295 0.008
554 Cu54Si 0.000 0.000 -192.845 -0.830 0.009
555 Cu54P 0.000 0.000 -192.845 -1.888 0.004
556 Cu54S 0.000 0.000 -192.845 -0.945 0.009
557 Cu54Cl 0.000 -0.000 -192.845 -0.243 0.009
558 Cu54Ar 0.000 0.000 -192.845 -0.025 0.009
559 Cu54H 0.000 -0.000 -192.845 -1.120 0.006
560 Cu54He 0.000 0.000 -192.845 0.002 0.006
561 Cu54Li 0.000 0.000 -192.845 -0.299 0.007
562 BeCu54 0.000 -0.000 -192.845 -0.039 0.009
563 Cu54B 0.000 0.000 -192.845 -0.349 0.008
564 Cu54C 0.000 0.000 -192.845 -1.250 0.010
565 Cu54N 0.000 -0.000 -192.845 -3.120 0.008
566 Cu54O 0.000 -0.000 -192.845 -1.530 0.007
567 Cu54F 0.000 0.000 -192.845 -0.424 0.009
568 Cu54Ne 0.000 0.000 -192.845 -0.013 0.007
569 Cu54Na 0.000 -0.000 -192.845 -0.225 0.006
570 Cu54Mg 0.000 0.000 -192.845 -0.004 0.010
571 AlCu54 0.000 0.000 -192.845 -0.295 0.010
572 Cu54Si 0.000 -0.000 -192.845 -0.830 0.010
573 Cu54P 0.000 -0.000 -192.845 -1.890 0.006
574 Cu54S 0.000 -0.000 -192.845 -0.945 0.008
575 Cu54Cl 0.000 0.000 -192.845 -0.243 0.011