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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 376-400 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)
Chemical formula (formula)
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)
Username (user)
Rows: 25
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25
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200
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ID
✕
Volume
✕
376
8000.000
377
8000.000
378
8000.000
379
8000.000
380
8000.000
381
8000.000
382
8000.000
383
8000.000
384
8000.000
385
8000.000
386
8000.000
387
8000.000
388
8000.000
389
8000.000
390
8000.000
391
8000.000
392
8000.000
393
8000.000
394
8000.000
395
8000.000
396
8000.000
397
8000.000
398
8000.000
399
8000.000
400
8000.000
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