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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 476-31 out of 31
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
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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200
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ID
✕
Formula
✕
Mass
✕
476
Au
16
Si
8
3376.145
477
Au
16
Si
8
3376.145
478
Au
16
Si
8
3376.145
479
Au
16
Si
8
3376.145
480
Au
16
Si
8
3376.145
481
Au
16
Si
8
3376.145
482
Au
16
Si
8
3376.145
483
Au
16
Si
8
3376.145
484
Au
16
Si
8
3376.145
485
Au
16
Si
8
3376.145
486
Au
16
Si
8
3376.145
487
Au
16
Si
8
3376.145
488
Au
16
Si
8
3376.145
489
Au
16
Si
8
3376.145
490
Au
16
Si
8
3376.145
491
Au
16
Si
8
3376.145
492
Au
16
Si
8
3376.145
493
Au
16
Si
8
3376.145
494
Au
16
Si
8
3376.145
495
Au
16
Si
8
3376.145
496
Au
16
Si
8
3376.145
497
Au
16
Si
8
3376.145
498
Au
16
Si
8
3376.145
499
Au
16
Si
8
3376.145
500
Au
16
Si
8
3376.145
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