ASE database

Displaying rows 526-8 out of 8
↓ ID ✕ Calculator ✕ PBC ✕ str_E ✕ Magnetic moment ✕ atom_E ✕ Username ✕ Dipole_val ✕
526 vasp TTT -195.504 0.000 -0.039 hecc -0.793
527 vasp TTT -197.683 -0.000 -0.349 hecc 0.375
528 vasp TTT -199.306 -0.000 -1.250 hecc 0.645
529 vasp TTT -199.897 -0.000 -3.120 hecc 0.716
530 vasp TTT -199.470 -0.000 -1.530 hecc 0.779
531 vasp TTT -197.506 0.000 -0.424 hecc 0.691
532 vasp TTT -192.866 -0.000 -0.013 hecc -0.008
533 vasp TTT -195.024 0.000 -0.225 hecc -4.509
534 vasp TTT -194.558 -0.000 -0.004 hecc -2.586
535 vasp TTT -196.341 -0.000 -0.295 hecc -0.999
536 vasp TTT -197.812 -0.000 -0.830 hecc 0.033
537 vasp TTT -198.589 -0.000 -1.890 hecc 0.599
538 vasp TTT -198.348 -0.000 -0.945 hecc 0.730
539 vasp TTT -196.487 -0.000 -0.243 hecc 0.342
540 vasp TTT -192.878 0.000 -0.025 hecc -0.060
541 vasp TTT -196.520 -0.000 -1.117 hecc 0.018
542 vasp TTT -192.846 -0.000 0.002 hecc -0.018
543 vasp TTT -195.476 0.000 -0.299 hecc -3.363
544 vasp TTT -195.497 0.000 -0.039 hecc -0.802
545 vasp TTT -197.667 0.000 -0.349 hecc 0.352
546 vasp TTT -199.261 -0.000 -1.248 hecc 0.620
547 vasp TTT -199.816 0.000 -3.124 hecc 0.718
548 vasp TTT -199.380 0.000 -1.533 hecc 0.820
549 vasp TTT -197.474 0.000 -0.424 hecc 0.747
550 vasp TTT -192.866 0.000 -0.013 hecc -0.010