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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 1-25 out of 594
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ads_E
ads_site
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
Mass
✕
str_E
✕
atom_E
✕
slab_E
✕
Dipole_val
✕
plane_index
✕
17285.869
-168.070
-1.117
-165.064
-0.123
100
17285.869
-165.069
0.002
-165.064
-0.011
100
17285.869
-168.230
-0.299
-165.064
-2.696
100
17285.869
-169.147
-0.039
-165.064
-0.238
100
17285.869
-171.055
-0.349
-165.064
-0.022
100
17285.869
-171.207
-1.248
-165.064
0.044
100
17285.869
-170.577
-3.124
-165.064
0.360
100
17285.869
-169.926
-1.533
-165.064
0.594
100
17285.869
-168.695
-0.424
-165.064
1.029
100
17285.869
-165.085
-0.013
-165.064
-0.012
100
17285.869
-167.652
-0.225
-165.064
-4.669
100
17285.869
-167.509
-0.004
-165.064
-2.555
100
17285.869
-169.611
-0.295
-165.064
-0.805
100
17285.869
-170.944
-0.830
-165.064
-0.276
100
17285.869
-171.031
-1.888
-165.064
0.008
100
17285.869
-169.906
-0.945
-165.064
0.191
100
17285.869
-167.868
-0.243
-165.064
0.752
100
17285.869
-165.095
-0.025
-165.064
-0.077
100
17285.869
-168.428
-1.117
-165.064
-0.004
100
17285.869
-165.069
0.002
-165.064
-0.017
100
17285.869
-167.904
-0.299
-165.064
-3.955
100
17285.869
-167.816
-0.039
-165.064
-1.093
100
17285.869
-169.754
-0.349
-165.064
-0.008
100
17285.869
-170.497
-1.248
-165.064
0.475
100
17285.869
-170.360
-3.124
-165.064
0.930
100
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