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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 26-8 out of 8
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Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
Maximum stress on unit cell (smax)
str_E
Username (user)
Rows: 25
10
25
50
100
200
slab_E
✕
Energy
✕
Mass
✕
Volume
✕
-165.064
-169.953
17285.869
2654.442
-165.064
-168.878
17285.869
2654.442
-165.064
-165.084
17285.869
2654.442
-165.064
-167.438
17285.869
2654.442
-165.064
-166.817
17285.869
2654.442
-165.064
-168.662
17285.869
2654.442
-165.064
-169.936
17285.869
2654.442
-165.064
-170.059
17285.869
2654.442
-165.064
-169.436
17285.869
2654.442
-165.064
-168.055
17285.869
2654.442
-165.064
-165.093
17285.869
2654.442
-165.064
-168.134
17285.869
2654.442
-165.064
-165.067
17285.869
2654.442
-165.064
-167.627
17285.869
2654.442
-165.064
-166.735
17285.869
2654.442
-165.064
-168.412
17285.869
2654.442
-165.064
-169.007
17285.869
2654.442
-165.064
-168.955
17285.869
2654.442
-165.064
-168.874
17285.869
2654.442
-165.064
-168.510
17285.869
2654.442
-165.064
-165.081
17285.869
2654.442
-165.064
-167.240
17285.869
2654.442
-165.064
-166.341
17285.869
2654.442
-165.064
-168.104
17285.869
2654.442
-165.064
-168.778
17285.869
2654.442
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