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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 26-50 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
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Age
✕
slab_E
✕
26
15M
-165.064
27
15M
-165.064
28
15M
-165.064
29
15M
-165.064
30
15M
-165.064
31
15M
-165.064
32
15M
-165.064
33
15M
-165.064
34
15M
-165.064
35
15M
-165.064
36
15M
-165.064
37
15M
-165.064
38
15M
-165.064
39
15M
-165.064
40
15M
-165.064
41
15M
-165.064
42
15M
-165.064
43
15M
-165.064
44
15M
-165.064
45
15M
-165.064
46
15M
-165.064
47
15M
-165.064
48
15M
-165.064
49
15M
-165.064
50
15M
-165.064
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