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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 517
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Time since creation (age)
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
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ID
✕
Charge
✕
Mass
✕
351
0.000
17285.869
352
0.000
17285.869
353
0.000
17285.869
354
0.000
17285.869
355
0.000
17285.869
356
0.000
17285.869
357
0.000
17285.869
358
0.000
17285.869
359
0.000
17285.869
360
0.000
17285.869
361
0.000
17285.869
362
0.000
17285.869
363
0.000
17285.869
364
0.000
17285.869
365
0.000
17285.869
366
0.000
17285.869
367
0.000
17285.869
368
0.000
17285.869
369
0.000
17285.869
370
0.000
17285.869
371
0.000
17285.869
372
0.000
17285.869
373
0.000
17285.869
374
0.000
17285.869
375
0.000
17285.869
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