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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 551-18 out of 18
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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
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ID
✕
Formula
✕
Charge
✕
551
Au
10
Si
4
0.000
552
Au
10
Si
4
0.000
553
Au
10
Si
4
0.000
554
Au
10
Si
4
0.000
555
Au
10
Si
4
0.000
556
Au
10
Si
4
0.000
557
Au
10
Si
4
0.000
558
Au
10
Si
4
0.000
559
Au
10
Si
4
0.000
560
Au
10
Si
4
0.000
561
Au
10
Si
4
0.000
562
Au
10
Si
4
0.000
563
Au
10
Si
4
0.000
564
Au
10
Si
4
0.000
565
Au
10
Si
4
0.000
566
Au
10
Si
4
0.000
567
Au
10
Si
4
0.000
568
Au
10
Si
4
0.000
569
Au
10
Si
4
0.000
570
Au
10
Si
4
0.000
571
Au
10
Si
4
0.000
572
Au
10
Si
4
0.000
573
Au
10
Si
4
0.000
574
Au
10
Si
4
0.000
575
Au
10
Si
4
0.000
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