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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 551-8 out of 8
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Dipole_val
ads_E
ads_site
Time since creation (age)
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)
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Rows: 25
10
25
50
100
200
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ID
✕
plane_index
✕
Volume
✕
551
111
1730.483
552
111
1730.483
553
111
1730.483
554
111
1730.483
555
111
1730.483
556
111
1730.483
557
111
1730.483
558
111
1730.483
559
111
1730.483
560
111
1730.483
561
111
1730.483
562
111
1730.483
563
111
1730.483
564
111
1730.483
565
111
1730.483
566
111
1730.483
567
111
1730.483
568
111
1730.483
569
111
1730.483
570
111
1730.483
571
111
1730.483
572
111
1730.483
573
111
1730.483
574
111
1730.483
575
111
1730.483
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