ASE database

ID Formula atom_E Dipole_val distance Volume Maximum force Maximum stress
576 Cu54Ar -0.025 -0.041 4.003 1730.483 0.012 0.007
577 Cu54H -1.117 0.281 1.519 1730.483 0.006 0.007
578 Cu54He 0.002 -0.019 3.707 1730.483 0.009 0.007
579 Cu54Li -0.299 -3.579 2.080 1730.483 0.008 0.008
580 BeCu54 -0.039 -0.919 1.533 1730.483 0.008 0.008
581 Cu54B -0.349 0.323 1.497 1730.483 0.011 0.007
582 Cu54C -1.248 0.960 1.476 1730.483 0.009 0.008
583 Cu54N -3.124 1.474 1.581 1730.483 0.479 0.007
584 Cu54O -1.533 1.815 1.643 1730.483 0.007 0.007
585 Cu54F -0.424 1.950 1.854 1730.483 0.010 0.006
586 Cu54Ne -0.013 -0.016 3.559 1730.483 0.009 0.007
587 Cu54Na -0.225 -4.587 2.403 1730.483 0.009 0.008
588 Cu54Mg -0.004 -2.541 2.052 1730.483 0.008 0.008
589 AlCu54 -0.295 -0.969 1.947 1730.483 0.007 0.007
590 Cu54Si -0.830 0.022 1.736 1730.483 0.008 0.008
591 Cu54P -1.888 0.571 1.610 1730.483 0.008 0.008
592 Cu54S -0.945 1.109 1.800 1730.483 0.009 0.008
593 Cu54Cl -0.243 1.499 2.184 1730.483 0.008 0.006
594 Cu54Ar -0.025 -0.070 3.846 1730.483 0.010 0.007