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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)
plane_index
Maximum stress on unit cell (smax)
str_E
Username (user)
Rows: 25
10
25
50
100
200
slab_E
✕
Energy
✕
Mass
✕
Volume
✕
PBC
✕
-165.064
-169.953
17285.869
2654.442
TTT
-165.064
-168.878
17285.869
2654.442
TTT
-165.064
-165.084
17285.869
2654.442
TTT
-165.064
-167.438
17285.869
2654.442
TTT
-165.064
-166.817
17285.869
2654.442
TTT
-165.064
-168.662
17285.869
2654.442
TTT
-165.064
-169.936
17285.869
2654.442
TTT
-165.064
-170.059
17285.869
2654.442
TTT
-165.064
-169.436
17285.869
2654.442
TTT
-165.064
-168.055
17285.869
2654.442
TTT
-165.064
-165.093
17285.869
2654.442
TTT
-165.064
-168.134
17285.869
2654.442
TTT
-165.064
-165.067
17285.869
2654.442
TTT
-165.064
-167.627
17285.869
2654.442
TTT
-165.064
-166.735
17285.869
2654.442
TTT
-165.064
-168.412
17285.869
2654.442
TTT
-165.064
-169.007
17285.869
2654.442
TTT
-165.064
-168.955
17285.869
2654.442
TTT
-165.064
-168.874
17285.869
2654.442
TTT
-165.064
-168.510
17285.869
2654.442
TTT
-165.064
-165.081
17285.869
2654.442
TTT
-165.064
-167.240
17285.869
2654.442
TTT
-165.064
-166.341
17285.869
2654.442
TTT
-165.064
-168.104
17285.869
2654.442
TTT
-165.064
-168.778
17285.869
2654.442
TTT
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