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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 101-125 out of 594
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Dipole_val
ads_E
ads_site
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
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
atom_E
✕
Age
✕
Charge
✕
distance
✕
-0.225
15M
0.000
2.409
-0.004
15M
0.000
1.938
-0.295
15M
0.000
1.701
-0.830
15M
0.000
1.560
-1.888
15M
0.000
1.549
-0.945
15M
0.000
1.636
-0.243
15M
0.000
1.936
-0.025
15M
0.000
3.439
-1.117
15M
0.000
1.599
0.002
15M
0.000
3.610
-0.299
15M
0.000
2.237
-0.039
15M
0.000
2.078
-0.349
15M
0.000
1.927
-1.248
15M
0.000
1.835
-3.124
15M
0.000
1.836
-1.533
15M
0.000
1.889
-0.424
15M
0.000
2.038
-0.013
15M
0.000
3.629
-0.225
15M
0.000
2.544
-0.004
15M
0.000
2.384
-0.295
15M
0.000
2.395
-0.830
15M
0.000
2.136
-1.888
15M
0.000
2.139
-0.945
15M
0.000
2.212
-0.243
15M
0.000
2.331
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