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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 526-550 out of 594
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Dipole_val
ads_E
ads_site
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
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Age
✕
atom_E
✕
Maximum stress
✕
526
15M
-0.039
0.008
527
15M
-0.349
0.006
528
15M
-1.250
0.006
529
15M
-3.120
0.005
530
15M
-1.530
0.005
531
15M
-0.424
0.006
532
15M
-0.013
0.007
533
15M
-0.225
0.008
534
15M
-0.004
0.007
535
15M
-0.295
0.007
536
15M
-0.830
0.006
537
15M
-1.890
0.006
538
15M
-0.945
0.006
539
15M
-0.243
0.006
540
15M
-0.025
0.007
541
15M
-1.117
0.007
542
15M
0.002
0.007
543
15M
-0.299
0.008
544
15M
-0.039
0.007
545
15M
-0.349
0.006
546
15M
-1.248
0.005
547
15M
-3.124
0.005
548
15M
-1.533
0.006
549
15M
-0.424
0.006
550
15M
-0.013
0.007
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