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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 601-8 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
✕
601
Au
8
Si
4
0.001
602
Au
8
Si
4
0.001
603
Au
8
Si
4
0.002
604
Au
8
Si
4
0.001
605
Au
8
Si
4
0.002
606
Au
8
Si
4
0.001
607
Au
8
Si
4
0.001
608
Au
8
Si
4
0.001
609
Au
8
Si
4
0.001
610
Au
8
Si
4
0.001
611
Au
8
Si
4
0.001
612
Au
8
Si
4
0.001
613
Au
8
Si
4
0.001
614
Au
8
Si
4
0.001
615
Au
8
Si
4
0.001
616
Au
8
Si
4
0.001
617
Au
8
Si
4
0.001
618
Au
8
Si
4
0.001
619
Au
8
Si
4
0.001
620
Au
8
Si
4
0.001
621
Au
8
Si
4
0.001
622
Au
8
Si
4
0.001
623
Au
8
Si
4
0.001
624
Au
8
Si
4
0.001
625
Au
8
Si
4
0.001
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