ASE database

ID Formula Magnetic moment Charge Dipole_val Username distance atom_E Maximum force Volume PBC
551 Cu54Na -0.000 0.000 -4.502 hecc 2.376 -0.225 0.009 1730.483 TTT
552 Cu54Mg -0.000 0.000 -2.595 hecc 2.025 -0.004 0.005 1730.483 TTT
553 AlCu54 0.000 0.000 -1.006 hecc 1.820 -0.295 0.008 1730.483 TTT
554 Cu54Si 0.000 0.000 0.043 hecc 1.670 -0.830 0.009 1730.483 TTT
555 Cu54P 0.000 0.000 0.624 hecc 1.593 -1.888 0.004 1730.483 TTT
556 Cu54S 0.000 0.000 0.764 hecc 1.602 -0.945 0.009 1730.483 TTT
557 Cu54Cl -0.000 0.000 0.388 hecc 1.841 -0.243 0.009 1730.483 TTT
558 Cu54Ar 0.000 0.000 -0.053 hecc 3.920 -0.025 0.009 1730.483 TTT
559 Cu54H -0.000 0.000 0.014 hecc 0.916 -1.120 0.006 1730.483 TTT
560 Cu54He 0.000 0.000 -0.017 hecc 3.776 0.002 0.006 1730.483 TTT
561 Cu54Li 0.000 0.000 -3.370 hecc 2.025 -0.299 0.007 1730.483 TTT
562 BeCu54 -0.000 0.000 -0.736 hecc 1.308 -0.039 0.009 1730.483 TTT
563 Cu54B 0.000 0.000 0.322 hecc 0.834 -0.349 0.008 1730.483 TTT
564 Cu54C 0.000 0.000 0.460 hecc 0.665 -1.250 0.010 1730.483 TTT
565 Cu54N -0.000 0.000 0.716 hecc 0.958 -3.120 0.008 1730.483 TTT
566 Cu54O -0.000 0.000 0.781 hecc 1.073 -1.530 0.007 1730.483 TTT
567 Cu54F 0.000 0.000 0.687 hecc 1.409 -0.424 0.009 1730.483 TTT
568 Cu54Ne 0.000 0.000 -0.008 hecc 3.657 -0.013 0.007 1730.483 TTT
569 Cu54Na -0.000 0.000 -4.513 hecc 2.384 -0.225 0.006 1730.483 TTT
570 Cu54Mg 0.000 0.000 -2.577 hecc 1.991 -0.004 0.010 1730.483 TTT
571 AlCu54 0.000 0.000 -0.999 hecc 1.820 -0.295 0.010 1730.483 TTT
572 Cu54Si -0.000 0.000 0.034 hecc 1.654 -0.830 0.010 1730.483 TTT
573 Cu54P -0.000 0.000 0.602 hecc 1.585 -1.890 0.006 1730.483 TTT
574 Cu54S -0.000 0.000 0.738 hecc 1.587 -0.945 0.008 1730.483 TTT
575 Cu54Cl 0.000 0.000 0.581 hecc 1.895 -0.243 0.011 1730.483 TTT