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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 626-8 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
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200
↓
ID
✕
Formula
✕
Maximum stress
✕
626
Au
8
Si
4
0.001
627
Au
8
Si
4
0.001
628
Au
8
Si
4
0.001
629
Au
8
Si
4
0.001
630
Au
8
Si
4
0.001
631
Au
8
Si
4
0.001
632
Au
8
Si
4
0.001
633
Au
8
Si
4
0.001
634
Au
8
Si
4
0.001
635
Au
8
Si
4
0.001
636
Au
8
Si
4
0.001
637
Au
8
Si
4
0.001
638
Au
8
Si
4
0.001
639
Au
8
Si
4
0.000
640
Au
8
Si
4
0.001
641
Au
8
Si
4
0.001
642
Au
8
Si
4
0.001
643
Au
8
Si
4
0.001
644
Au
10
Si
4
0.001
645
Au
10
Si
4
0.001
646
Au
10
Si
4
0.001
647
Au
10
Si
4
0.001
648
Au
10
Si
4
0.001
649
Au
10
Si
4
0.000
650
Au
10
Si
4
0.001
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