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MATLAB-code
ASE database
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age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
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
perms_num
perms_number
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 476-500 out of 517
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ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Age
✕
Username
✕
476
C
60
H
36
54M
mse-gucc
477
C
60
H
36
54M
mse-gucc
478
C
60
H
36
54M
mse-gucc
479
C
60
H
36
54M
mse-gucc
480
C
60
H
36
54M
mse-gucc
481
C
60
H
36
54M
mse-gucc
482
C
60
H
36
54M
mse-gucc
483
C
60
H
36
54M
mse-gucc
484
C
60
H
36
54M
mse-gucc
485
C
60
H
36
54M
mse-gucc
486
C
60
H
36
54M
mse-gucc
487
C
60
H
36
54M
mse-gucc
488
C
60
H
36
54M
mse-gucc
489
C
60
H
36
54M
mse-gucc
490
C
60
H
36
54M
mse-gucc
491
C
60
H
36
54M
mse-gucc
492
C
60
H
36
54M
mse-gucc
493
C
60
H
36
54M
mse-gucc
494
C
60
H
36
54M
mse-gucc
495
C
60
H
36
54M
mse-gucc
496
C
60
H
36
54M
mse-gucc
497
C
60
H
36
54M
mse-gucc
498
C
60
H
36
54M
mse-gucc
499
C
60
H
36
54M
mse-gucc
500
C
60
H
36
54M
mse-gucc
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