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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 376-8 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
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
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ID
✕
PBC
✕
Mass
✕
376
TTT
17285.869
377
TTT
17285.869
378
TTT
17285.869
379
TTT
17285.869
380
TTT
17285.869
381
TTT
17285.869
382
TTT
17285.869
383
TTT
17285.869
384
TTT
17285.869
385
TTT
17285.869
386
TTT
17285.869
387
TTT
17285.869
388
TTT
17285.869
389
TTT
17285.869
390
TTT
17285.869
391
TTT
17285.869
392
TTT
17285.869
393
TTT
17285.869
394
TTT
17285.869
395
TTT
17285.869
396
TTT
17285.869
397
TTT
17285.869
398
TTT
17285.869
399
TTT
17285.869
400
TTT
17285.869
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