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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 451-475 out of 517
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Time since creation (age)
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
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200
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ID
✕
Formula
✕
Username
✕
451
C
60
H
36
mse-gucc
452
C
60
H
36
mse-gucc
453
C
60
H
36
mse-gucc
454
C
60
H
36
mse-gucc
455
C
60
H
36
mse-gucc
456
C
60
H
36
mse-gucc
457
C
60
H
36
mse-gucc
458
C
60
H
36
mse-gucc
459
C
60
H
36
mse-gucc
460
C
60
H
36
mse-gucc
461
C
60
H
36
mse-gucc
462
C
60
H
36
mse-gucc
463
C
60
H
36
mse-gucc
464
C
60
H
36
mse-gucc
465
C
60
H
36
mse-gucc
466
C
60
H
36
mse-gucc
467
C
60
H
36
mse-gucc
468
C
60
H
36
mse-gucc
469
C
60
H
36
mse-gucc
470
C
60
H
36
mse-gucc
471
C
60
H
36
mse-gucc
472
C
60
H
36
mse-gucc
473
C
60
H
36
mse-gucc
474
C
60
H
36
mse-gucc
475
C
60
H
36
mse-gucc
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