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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 526-550 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)
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
✕
Mass
✕
0.000
-0.039
-195.504
0.008
-195.504
1.451
15M
17285.869
0.000
-0.349
-197.683
0.006
-197.683
1.151
15M
17285.869
0.000
-1.250
-199.306
0.006
-199.306
0.969
15M
17285.869
0.000
-3.120
-199.897
0.005
-199.897
0.961
15M
17285.869
0.000
-1.530
-199.470
0.005
-199.470
1.074
15M
17285.869
0.000
-0.424
-197.506
0.006
-197.506
1.412
15M
17285.869
0.000
-0.013
-192.866
0.007
-192.866
3.642
15M
17285.869
0.000
-0.225
-195.024
0.008
-195.024
2.382
15M
17285.869
0.000
-0.004
-194.558
0.007
-194.558
2.028
15M
17285.869
0.000
-0.295
-196.341
0.007
-196.341
1.816
15M
17285.869
0.000
-0.830
-197.812
0.006
-197.812
1.653
15M
17285.869
0.000
-1.890
-198.589
0.006
-198.589
1.587
15M
17285.869
0.000
-0.945
-198.348
0.006
-198.348
1.587
15M
17285.869
0.000
-0.243
-196.487
0.006
-196.487
1.825
15M
17285.869
0.000
-0.025
-192.878
0.007
-192.878
3.872
15M
17285.869
0.000
-1.117
-196.520
0.007
-196.520
0.924
15M
17285.869
0.000
0.002
-192.846
0.007
-192.846
3.741
15M
17285.869
0.000
-0.299
-195.476
0.008
-195.476
2.030
15M
17285.869
0.000
-0.039
-195.497
0.007
-195.497
1.445
15M
17285.869
0.000
-0.349
-197.667
0.006
-197.667
1.126
15M
17285.869
0.000
-1.248
-199.261
0.005
-199.261
0.945
15M
17285.869
0.000
-3.124
-199.816
0.005
-199.816
0.958
15M
17285.869
0.000
-1.533
-199.380
0.006
-199.380
1.094
15M
17285.869
0.000
-0.424
-197.474
0.006
-197.474
1.440
15M
17285.869
0.000
-0.013
-192.866
0.007
-192.866
3.613
15M
17285.869
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