ASE database

ID Formula Number of atoms Maximum stress atom_E PBC Volume str_E
551 Cu54Na 55 0.008 -0.225 TTT 1730.483 -195.024
552 Cu54Mg 55 0.007 -0.004 TTT 1730.483 -194.556
553 AlCu54 55 0.007 -0.295 TTT 1730.483 -196.324
554 Cu54Si 55 0.006 -0.830 TTT 1730.483 -197.777
555 Cu54P 55 0.006 -1.888 TTT 1730.483 -198.547
556 Cu54S 55 0.006 -0.945 TTT 1730.483 -198.308
557 Cu54Cl 55 0.006 -0.243 TTT 1730.483 -196.481
558 Cu54Ar 55 0.007 -0.025 TTT 1730.483 -192.878
559 Cu54H 55 0.007 -1.120 TTT 1730.483 -196.523
560 Cu54He 55 0.007 0.002 TTT 1730.483 -192.846
561 Cu54Li 55 0.008 -0.299 TTT 1730.483 -195.466
562 BeCu54 55 0.008 -0.039 TTT 1730.483 -195.474
563 Cu54B 55 0.008 -0.349 TTT 1730.483 -197.691
564 Cu54C 55 0.008 -1.250 TTT 1730.483 -199.256
565 Cu54N 55 0.005 -3.120 TTT 1730.483 -199.896
566 Cu54O 55 0.005 -1.530 TTT 1730.483 -199.469
567 Cu54F 55 0.006 -0.424 TTT 1730.483 -197.505
568 Cu54Ne 55 0.007 -0.013 TTT 1730.483 -192.866
569 Cu54Na 55 0.008 -0.225 TTT 1730.483 -195.018
570 Cu54Mg 55 0.008 -0.004 TTT 1730.483 -194.540
571 AlCu54 55 0.007 -0.295 TTT 1730.483 -196.341
572 Cu54Si 55 0.006 -0.830 TTT 1730.483 -197.812
573 Cu54P 55 0.006 -1.890 TTT 1730.483 -198.588
574 Cu54S 55 0.005 -0.945 TTT 1730.483 -198.347
575 Cu54Cl 55 0.006 -0.243 TTT 1730.483 -196.406