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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 414
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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
✕
326
0.000
17285.869
327
0.000
17285.869
328
0.000
17285.869
329
0.000
17285.869
330
0.000
17285.869
331
0.000
17285.869
332
0.000
17285.869
333
0.000
17285.869
334
0.000
17285.869
335
0.000
17285.869
336
0.000
17285.869
337
0.000
17285.869
338
0.000
17285.869
339
0.000
17285.869
340
0.000
17285.869
341
0.000
17285.869
342
0.000
17285.869
343
0.000
17285.869
344
0.000
17285.869
345
0.000
17285.869
346
0.000
17285.869
347
0.000
17285.869
348
0.000
17285.869
349
0.000
17285.869
350
0.000
17285.869
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