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MATLAB-code
ASE database
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Dipole_val
ads_E
ads_site
age
Time since creation
atom_E
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
distance
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
plane_index
slab_E
smax
Maximum stress on unit cell
eV/Ang
3
str_E
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 476-500 out of 594
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Dipole_val
ads_E
ads_site
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
Maximum stress on unit cell (smax)
str_E
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Age
✕
slab_E
✕
Username
✕
476
15M
-252.094
hecc
477
15M
-252.094
hecc
478
15M
-252.094
hecc
479
15M
-252.094
hecc
480
15M
-252.094
hecc
481
15M
-252.094
hecc
482
15M
-252.094
hecc
483
15M
-252.094
hecc
484
15M
-252.094
hecc
485
15M
-252.094
hecc
486
15M
-252.094
hecc
487
15M
-252.094
hecc
488
15M
-252.094
hecc
489
15M
-252.094
hecc
490
15M
-252.094
hecc
491
15M
-252.094
hecc
492
15M
-252.094
hecc
493
15M
-252.094
hecc
494
15M
-252.094
hecc
495
15M
-252.094
hecc
496
15M
-252.094
hecc
497
15M
-252.094
hecc
498
15M
-252.094
hecc
499
15M
-252.094
hecc
500
15M
-252.094
hecc
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