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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 476-8 out of 8
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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)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
476
Au
16
Si
8
0.001
477
Au
16
Si
8
0.001
478
Au
16
Si
8
0.001
479
Au
16
Si
8
0.001
480
Au
16
Si
8
0.001
481
Au
16
Si
8
0.001
482
Au
16
Si
8
0.001
483
Au
16
Si
8
0.001
484
Au
16
Si
8
0.001
485
Au
16
Si
8
0.001
486
Au
16
Si
8
0.001
487
Au
16
Si
8
0.001
488
Au
16
Si
8
0.001
489
Au
16
Si
8
0.001
490
Au
16
Si
8
0.001
491
Au
16
Si
8
0.001
492
Au
16
Si
8
0.001
493
Au
16
Si
8
0.001
494
Au
16
Si
8
0.001
495
Au
16
Si
8
0.001
496
Au
16
Si
8
0.001
497
Au
16
Si
8
0.001
498
Au
16
Si
8
0.001
499
Au
16
Si
8
0.001
500
Au
16
Si
8
0.001
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