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Au_rate
E
Si_rate
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
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 326-18 out of 18
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Au_rate
E
Si_rate
Time since creation (age)
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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
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ID
✕
Formula
✕
Calculator
✕
326
Au
16
Si
8
vasp
327
Au
16
Si
8
vasp
328
Au
16
Si
8
vasp
329
Au
16
Si
8
vasp
330
Au
16
Si
8
vasp
331
Au
16
Si
8
vasp
332
Au
16
Si
8
vasp
333
Au
16
Si
8
vasp
334
Au
16
Si
8
vasp
335
Au
16
Si
8
vasp
336
Au
16
Si
8
vasp
337
Au
16
Si
8
vasp
338
Au
16
Si
8
vasp
339
Au
16
Si
8
vasp
340
Au
16
Si
8
vasp
341
Au
16
Si
8
vasp
342
Au
16
Si
8
vasp
343
Au
16
Si
8
vasp
344
Au
16
Si
8
vasp
345
Au
16
Si
8
vasp
346
Au
16
Si
8
vasp
347
Au
16
Si
8
vasp
348
Au
16
Si
8
vasp
349
Au
16
Si
8
vasp
350
Au
16
Si
8
vasp
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