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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 576-17 out of 17
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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
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200
↓
ID
✕
Formula
✕
Maximum stress
✕
576
Au
10
Si
4
0.001
577
Au
10
Si
4
0.001
578
Au
10
Si
4
0.001
579
Au
10
Si
4
0.001
580
Au
10
Si
4
0.001
581
Au
10
Si
4
0.001
582
Au
10
Si
4
0.001
583
Au
10
Si
4
0.001
584
Au
10
Si
4
0.001
585
Au
10
Si
4
0.001
586
Au
10
Si
4
0.001
587
Au
10
Si
4
0.001
588
Au
10
Si
4
0.001
589
Au
10
Si
4
0.001
590
Au
10
Si
4
0.000
591
Au
10
Si
4
0.001
592
Au
10
Si
4
0.001
593
Au
10
Si
4
0.001
594
Au
10
Si
4
0.001
595
Au
10
Si
4
0.001
596
Au
10
Si
4
0.001
597
Au
10
Si
4
0.000
598
Au
10
Si
4
0.001
599
Au
8
Si
4
0.001
600
Au
8
Si
4
0.001
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