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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 1-8 out of 8
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Dipole_val
ads_E
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
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
ads_site
✕
Age
✕
1
2f
15M
2
2f
15M
3
2f
15M
4
2f
15M
5
2f
15M
6
2f
15M
7
2f
15M
8
2f
15M
9
2f
15M
10
2f
15M
11
2f
15M
12
2f
15M
13
2f
15M
14
2f
15M
15
2f
15M
16
2f
15M
17
2f
15M
18
2f
15M
19
1b
15M
20
1b
15M
21
1b
15M
22
1b
15M
23
1b
15M
24
1b
15M
25
1b
15M
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