ASE database

Displaying rows 526-8 out of 8
↓ ID ✕ Calculator ✕ PBC ✕ str_E ✕ Magnetic moment ✕ atom_E ✕ Username ✕
526 vasp TTT -195.504 0.000 -0.039 hecc
527 vasp TTT -197.683 -0.000 -0.349 hecc
528 vasp TTT -199.306 -0.000 -1.250 hecc
529 vasp TTT -199.897 -0.000 -3.120 hecc
530 vasp TTT -199.470 -0.000 -1.530 hecc
531 vasp TTT -197.506 0.000 -0.424 hecc
532 vasp TTT -192.866 -0.000 -0.013 hecc
533 vasp TTT -195.024 0.000 -0.225 hecc
534 vasp TTT -194.558 -0.000 -0.004 hecc
535 vasp TTT -196.341 -0.000 -0.295 hecc
536 vasp TTT -197.812 -0.000 -0.830 hecc
537 vasp TTT -198.589 -0.000 -1.890 hecc
538 vasp TTT -198.348 -0.000 -0.945 hecc
539 vasp TTT -196.487 -0.000 -0.243 hecc
540 vasp TTT -192.878 0.000 -0.025 hecc
541 vasp TTT -196.520 -0.000 -1.117 hecc
542 vasp TTT -192.846 -0.000 0.002 hecc
543 vasp TTT -195.476 0.000 -0.299 hecc
544 vasp TTT -195.497 0.000 -0.039 hecc
545 vasp TTT -197.667 0.000 -0.349 hecc
546 vasp TTT -199.261 -0.000 -1.248 hecc
547 vasp TTT -199.816 0.000 -3.124 hecc
548 vasp TTT -199.380 0.000 -1.533 hecc
549 vasp TTT -197.474 0.000 -0.424 hecc
550 vasp TTT -192.866 0.000 -0.013 hecc