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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 576-594 out of 594
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Dipole_val
ads_E
ads_site
ASE-calculator name (calculator)
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
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
Charge
✕
atom_E
✕
str_E
✕
Maximum stress
✕
Energy
✕
distance
✕
Age
✕
0.000
-0.025
-192.880
0.007
-192.880
4.003
15M
0.000
-1.117
-195.885
0.007
-195.885
1.519
15M
0.000
0.002
-192.846
0.007
-192.846
3.707
15M
0.000
-0.299
-195.366
0.008
-195.366
2.080
15M
0.000
-0.039
-194.841
0.008
-194.841
1.533
15M
0.000
-0.349
-196.257
0.007
-196.257
1.497
15M
0.000
-1.248
-197.311
0.008
-197.311
1.476
15M
0.000
-3.124
-197.708
0.007
-197.708
1.581
15M
0.000
-1.533
-197.707
0.007
-197.707
1.643
15M
0.000
-0.424
-197.040
0.006
-197.040
1.854
15M
0.000
-0.013
-192.865
0.007
-192.865
3.559
15M
0.000
-0.225
-194.968
0.008
-194.968
2.403
15M
0.000
-0.004
-194.352
0.008
-194.352
2.052
15M
0.000
-0.295
-195.938
0.007
-195.938
1.947
15M
0.000
-0.830
-197.142
0.008
-197.142
1.736
15M
0.000
-1.888
-197.546
0.008
-197.546
1.610
15M
0.000
-0.945
-197.153
0.008
-197.153
1.800
15M
0.000
-0.243
-196.079
0.006
-196.079
2.184
15M
0.000
-0.025
-192.878
0.007
-192.878
3.846
15M
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