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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 501-525 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
✕
501
15M
-252.094
hecc
502
15M
-252.094
hecc
503
15M
-252.094
hecc
504
15M
-252.094
hecc
505
15M
-252.094
hecc
506
15M
-252.094
hecc
507
15M
-252.094
hecc
508
15M
-252.094
hecc
509
15M
-252.094
hecc
510
15M
-252.094
hecc
511
15M
-252.094
hecc
512
15M
-252.094
hecc
513
15M
-252.094
hecc
514
15M
-252.094
hecc
515
15M
-252.094
hecc
516
15M
-252.094
hecc
517
15M
-252.094
hecc
518
15M
-252.094
hecc
519
15M
-252.094
hecc
520
15M
-252.094
hecc
521
15M
-252.094
hecc
522
15M
-252.094
hecc
523
15M
-192.845
hecc
524
15M
-192.845
hecc
525
15M
-192.845
hecc
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