ASE database

ID Formula Charge Number of atoms distance Maximum stress atom_E Dipole_val Username
476 Cu72O 0.000 73 1.186 0.008 -1.533 1.890 hecc
477 Cu72F 0.000 73 1.458 0.009 -0.424 1.591 hecc
478 Cu72Ne 0.000 73 3.512 0.009 -0.013 -0.016 hecc
479 Cu72Na 0.000 73 2.401 0.009 -0.225 -5.565 hecc
480 Cu72Mg 0.000 73 2.123 0.009 -0.004 -2.698 hecc
481 AlCu72 0.000 73 1.951 0.009 -0.295 -0.852 hecc
482 Cu72Si 0.000 73 1.698 0.008 -0.830 0.401 hecc
483 Cu72P 0.000 73 1.627 0.008 -1.888 1.385 hecc
484 Cu72S 0.000 73 1.661 0.008 -0.945 1.900 hecc
485 Cu72Cl 0.000 73 1.846 0.008 -0.243 1.457 hecc
486 Cu72Ar 0.000 73 3.514 0.010 -0.025 -0.147 hecc
487 Cu72H 0.000 73 0.191 0.009 -1.117 -0.111 hecc
488 Cu72He 0.000 73 3.595 0.009 0.002 -0.015 hecc
489 Cu72Li 0.000 73 1.442 0.009 -0.299 -2.438 hecc
490 BeCu72 0.000 73 0.695 0.009 -0.039 -0.095 hecc
491 Cu72B 0.000 73 0.325 0.008 -0.349 0.372 hecc
492 Cu72C 0.000 73 0.191 0.008 -1.248 0.376 hecc
493 Cu72N 0.000 73 0.231 0.008 -3.124 0.377 hecc
494 Cu72O 0.000 73 0.415 0.008 -1.533 0.408 hecc
495 Cu72F 0.000 73 1.175 0.008 -0.424 1.134 hecc
496 Cu72Ne 0.000 73 3.329 0.009 -0.013 -0.006 hecc
497 Cu72Na 0.000 73 1.923 0.009 -0.225 -4.075 hecc
498 Cu72Mg 0.000 73 1.356 0.009 -0.004 -1.810 hecc
499 AlCu72 0.000 73 1.032 0.009 -0.295 -0.206 hecc
500 Cu72Si 0.000 73 0.849 0.009 -0.830 0.444 hecc