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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 576-594 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)
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
Username (user)
Volume of unit cell (volume)
Rows: 25
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200
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ID
✕
Dipole_val
✕
atom_E
✕
576
-0.041
-0.025
577
0.281
-1.117
578
-0.019
0.002
579
-3.579
-0.299
580
-0.919
-0.039
581
0.323
-0.349
582
0.960
-1.248
583
1.474
-3.124
584
1.815
-1.533
585
1.950
-0.424
586
-0.016
-0.013
587
-4.587
-0.225
588
-2.541
-0.004
589
-0.969
-0.295
590
0.022
-0.830
591
0.571
-1.888
592
1.109
-0.945
593
1.499
-0.243
594
-0.070
-0.025
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