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MATLAB-code
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 551-575 out of 594
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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)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Rows: 25
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25
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ID
✕
Volume
✕
Username
✕
551
1730.483
hecc
552
1730.483
hecc
553
1730.483
hecc
554
1730.483
hecc
555
1730.483
hecc
556
1730.483
hecc
557
1730.483
hecc
558
1730.483
hecc
559
1730.483
hecc
560
1730.483
hecc
561
1730.483
hecc
562
1730.483
hecc
563
1730.483
hecc
564
1730.483
hecc
565
1730.483
hecc
566
1730.483
hecc
567
1730.483
hecc
568
1730.483
hecc
569
1730.483
hecc
570
1730.483
hecc
571
1730.483
hecc
572
1730.483
hecc
573
1730.483
hecc
574
1730.483
hecc
575
1730.483
hecc
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