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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 476-17 out of 17
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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
✕
476
Au
16
Si
8
vasp
477
Au
16
Si
8
vasp
478
Au
16
Si
8
vasp
479
Au
16
Si
8
vasp
480
Au
16
Si
8
vasp
481
Au
16
Si
8
vasp
482
Au
16
Si
8
vasp
483
Au
16
Si
8
vasp
484
Au
16
Si
8
vasp
485
Au
16
Si
8
vasp
486
Au
16
Si
8
vasp
487
Au
16
Si
8
vasp
488
Au
16
Si
8
vasp
489
Au
16
Si
8
vasp
490
Au
16
Si
8
vasp
491
Au
16
Si
8
vasp
492
Au
16
Si
8
vasp
493
Au
16
Si
8
vasp
494
Au
16
Si
8
vasp
495
Au
16
Si
8
vasp
496
Au
16
Si
8
vasp
497
Au
16
Si
8
vasp
498
Au
16
Si
8
vasp
499
Au
16
Si
8
vasp
500
Au
16
Si
8
vasp
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