ASE database

Displaying rows 526-8 out of 8
↓ ID ✕ Formula ✕ PBC ✕ Maximum force ✕ distance ✕ Number of atoms ✕ Energy ✕ Username ✕ atom_E ✕ Volume ✕
526 BeCu54 TTT 0.010 1.451 55 -195.504 hecc -0.039 1730.483
527 Cu54B TTT 0.005 1.151 55 -197.683 hecc -0.349 1730.483
528 Cu54C TTT 0.009 0.969 55 -199.306 hecc -1.250 1730.483
529 Cu54N TTT 0.005 0.961 55 -199.897 hecc -3.120 1730.483
530 Cu54O TTT 0.013 1.074 55 -199.470 hecc -1.530 1730.483
531 Cu54F TTT 0.010 1.412 55 -197.506 hecc -0.424 1730.483
532 Cu54Ne TTT 0.010 3.642 55 -192.866 hecc -0.013 1730.483
533 Cu54Na TTT 0.006 2.382 55 -195.024 hecc -0.225 1730.483
534 Cu54Mg TTT 0.008 2.028 55 -194.558 hecc -0.004 1730.483
535 AlCu54 TTT 0.008 1.816 55 -196.341 hecc -0.295 1730.483
536 Cu54Si TTT 0.010 1.653 55 -197.812 hecc -0.830 1730.483
537 Cu54P TTT 0.010 1.587 55 -198.589 hecc -1.890 1730.483
538 Cu54S TTT 0.008 1.587 55 -198.348 hecc -0.945 1730.483
539 Cu54Cl TTT 0.009 1.825 55 -196.487 hecc -0.243 1730.483
540 Cu54Ar TTT 0.011 3.872 55 -192.878 hecc -0.025 1730.483
541 Cu54H TTT 0.009 0.924 55 -196.520 hecc -1.117 1730.483
542 Cu54He TTT 0.009 3.741 55 -192.846 hecc 0.002 1730.483
543 Cu54Li TTT 0.010 2.030 55 -195.476 hecc -0.299 1730.483
544 BeCu54 TTT 0.010 1.445 55 -195.497 hecc -0.039 1730.483
545 Cu54B TTT 0.005 1.126 55 -197.667 hecc -0.349 1730.483
546 Cu54C TTT 0.009 0.945 55 -199.261 hecc -1.248 1730.483
547 Cu54N TTT 0.009 0.958 55 -199.816 hecc -3.124 1730.483
548 Cu54O TTT 0.010 1.094 55 -199.380 hecc -1.533 1730.483
549 Cu54F TTT 0.010 1.440 55 -197.474 hecc -0.424 1730.483
550 Cu54Ne TTT 0.010 3.613 55 -192.866 hecc -0.013 1730.483