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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 326-350 out of 594
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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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200
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ID
✕
Volume
✕
326
8000.000
327
8000.000
328
8000.000
329
8000.000
330
8000.000
331
8000.000
332
8000.000
333
8000.000
334
8000.000
335
8000.000
336
8000.000
337
8000.000
338
8000.000
339
8000.000
340
8000.000
341
8000.000
342
8000.000
343
8000.000
344
8000.000
345
8000.000
346
8000.000
347
8000.000
348
8000.000
349
8000.000
350
8000.000
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