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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
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 351-375 out of 414
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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
✕
351
C
60
H
18
mse-gucc
352
C
60
H
18
mse-gucc
353
C
60
H
18
mse-gucc
354
C
60
H
18
mse-gucc
355
C
60
H
18
mse-gucc
356
C
60
H
18
mse-gucc
357
C
60
H
18
mse-gucc
358
C
60
H
18
mse-gucc
359
C
60
H
18
mse-gucc
360
C
60
H
18
mse-gucc
361
C
60
H
18
mse-gucc
362
C
60
H
18
mse-gucc
363
C
60
H
18
mse-gucc
364
C
60
H
18
mse-gucc
365
C
60
H
18
mse-gucc
366
C
60
H
18
mse-gucc
367
C
60
H
18
mse-gucc
368
C
60
H
18
mse-gucc
369
C
60
H
18
mse-gucc
370
C
60
H
18
mse-gucc
371
C
60
H
18
mse-gucc
372
C
60
H
18
mse-gucc
373
C
60
H
18
mse-gucc
374
C
60
H
18
mse-gucc
375
C
60
H
18
mse-gucc
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