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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 426-8 out of 8
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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
✕
426
Au
16
Si
8
vasp
427
Au
16
Si
8
vasp
428
Au
16
Si
8
vasp
429
Au
16
Si
8
vasp
430
Au
16
Si
8
vasp
431
Au
16
Si
8
vasp
432
Au
16
Si
8
vasp
433
Au
16
Si
8
vasp
434
Au
16
Si
8
vasp
435
Au
16
Si
8
vasp
436
Au
16
Si
8
vasp
437
Au
16
Si
8
vasp
438
Au
16
Si
8
vasp
439
Au
16
Si
8
vasp
440
Au
16
Si
8
vasp
441
Au
16
Si
8
vasp
442
Au
16
Si
8
vasp
443
Au
16
Si
8
vasp
444
Au
16
Si
8
vasp
445
Au
16
Si
8
vasp
446
Au
16
Si
8
vasp
447
Au
16
Si
8
vasp
448
Au
16
Si
8
vasp
449
Au
16
Si
8
vasp
450
Au
16
Si
8
vasp
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