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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)
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
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200
↓
ID
✕
Formula
✕
Charge
✕
601
Au
8
Si
4
0.000
602
Au
8
Si
4
0.000
603
Au
8
Si
4
0.000
604
Au
8
Si
4
0.000
605
Au
8
Si
4
0.000
606
Au
8
Si
4
0.000
607
Au
8
Si
4
0.000
608
Au
8
Si
4
0.000
609
Au
8
Si
4
0.000
610
Au
8
Si
4
0.000
611
Au
8
Si
4
0.000
612
Au
8
Si
4
0.000
613
Au
8
Si
4
0.000
614
Au
8
Si
4
0.000
615
Au
8
Si
4
0.000
616
Au
8
Si
4
0.000
617
Au
8
Si
4
0.000
618
Au
8
Si
4
0.000
619
Au
8
Si
4
0.000
620
Au
8
Si
4
0.000
621
Au
8
Si
4
0.000
622
Au
8
Si
4
0.000
623
Au
8
Si
4
0.000
624
Au
8
Si
4
0.000
625
Au
8
Si
4
0.000
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