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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 551-575 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
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
slab_E
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Maximum stress
✕
Energy
✕
Age
✕
551
0.008
-195.024
15M
552
0.007
-194.556
15M
553
0.007
-196.324
15M
554
0.006
-197.777
15M
555
0.006
-198.547
15M
556
0.006
-198.308
15M
557
0.006
-196.481
15M
558
0.007
-192.878
15M
559
0.007
-196.523
15M
560
0.007
-192.846
15M
561
0.008
-195.466
15M
562
0.008
-195.474
15M
563
0.008
-197.691
15M
564
0.008
-199.256
15M
565
0.005
-199.896
15M
566
0.005
-199.469
15M
567
0.006
-197.505
15M
568
0.007
-192.866
15M
569
0.008
-195.018
15M
570
0.008
-194.540
15M
571
0.007
-196.341
15M
572
0.006
-197.812
15M
573
0.006
-198.588
15M
574
0.005
-198.347
15M
575
0.006
-196.406
15M
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