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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 451-17 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
10
25
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ID
✕
Formula
✕
Calculator
✕
451
Au
16
Si
8
vasp
452
Au
16
Si
8
vasp
453
Au
16
Si
8
vasp
454
Au
16
Si
8
vasp
455
Au
16
Si
8
vasp
456
Au
16
Si
8
vasp
457
Au
16
Si
8
vasp
458
Au
16
Si
8
vasp
459
Au
16
Si
8
vasp
460
Au
16
Si
8
vasp
461
Au
16
Si
8
vasp
462
Au
16
Si
8
vasp
463
Au
16
Si
8
vasp
464
Au
16
Si
8
vasp
465
Au
16
Si
8
vasp
466
Au
16
Si
8
vasp
467
Au
16
Si
8
vasp
468
Au
16
Si
8
vasp
469
Au
16
Si
8
vasp
470
Au
16
Si
8
vasp
471
Au
16
Si
8
vasp
472
Au
16
Si
8
vasp
473
Au
16
Si
8
vasp
474
Au
16
Si
8
vasp
475
Au
16
Si
8
vasp
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