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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 401-425 out of 594
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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
10
25
50
100
200
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ID
✕
Formula
✕
Calculator
✕
401
Au
16
Si
8
vasp
402
Au
16
Si
8
vasp
403
Au
16
Si
8
vasp
404
Au
16
Si
8
vasp
405
Au
16
Si
8
vasp
406
Au
16
Si
8
vasp
407
Au
16
Si
8
vasp
408
Au
16
Si
8
vasp
409
Au
16
Si
8
vasp
410
Au
16
Si
8
vasp
411
Au
16
Si
8
vasp
412
Au
16
Si
8
vasp
413
Au
16
Si
8
vasp
414
Au
16
Si
8
vasp
415
Au
16
Si
8
vasp
416
Au
16
Si
8
vasp
417
Au
16
Si
8
vasp
418
Au
16
Si
8
vasp
419
Au
16
Si
8
vasp
420
Au
16
Si
8
vasp
421
Au
16
Si
8
vasp
422
Au
16
Si
8
vasp
423
Au
16
Si
8
vasp
424
Au
16
Si
8
vasp
425
Au
16
Si
8
vasp
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