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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)
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
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200
↓
ID
✕
Formula
✕
Charge
✕
476
Au
16
Si
8
0.000
477
Au
16
Si
8
0.000
478
Au
16
Si
8
0.000
479
Au
16
Si
8
0.000
480
Au
16
Si
8
0.000
481
Au
16
Si
8
0.000
482
Au
16
Si
8
0.000
483
Au
16
Si
8
0.000
484
Au
16
Si
8
0.000
485
Au
16
Si
8
0.000
486
Au
16
Si
8
0.000
487
Au
16
Si
8
0.000
488
Au
16
Si
8
0.000
489
Au
16
Si
8
0.000
490
Au
16
Si
8
0.000
491
Au
16
Si
8
0.000
492
Au
16
Si
8
0.000
493
Au
16
Si
8
0.000
494
Au
16
Si
8
0.000
495
Au
16
Si
8
0.000
496
Au
16
Si
8
0.000
497
Au
16
Si
8
0.000
498
Au
16
Si
8
0.000
499
Au
16
Si
8
0.000
500
Au
16
Si
8
0.000
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