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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 526-8 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
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ID
✕
Formula
✕
Charge
✕
526
Au
10
Si
4
0.000
527
Au
10
Si
4
0.000
528
Au
10
Si
4
0.000
529
Au
10
Si
4
0.000
530
Au
10
Si
4
0.000
531
Au
10
Si
4
0.000
532
Au
10
Si
4
0.000
533
Au
10
Si
4
0.000
534
Au
10
Si
4
0.000
535
Au
10
Si
4
0.000
536
Au
10
Si
4
0.000
537
Au
10
Si
4
0.000
538
Au
10
Si
4
0.000
539
Au
10
Si
4
0.000
540
Au
10
Si
4
0.000
541
Au
10
Si
4
0.000
542
Au
10
Si
4
0.000
543
Au
10
Si
4
0.000
544
Au
10
Si
4
0.000
545
Au
10
Si
4
0.000
546
Au
10
Si
4
0.000
547
Au
10
Si
4
0.000
548
Au
10
Si
4
0.000
549
Au
10
Si
4
0.000
550
Au
10
Si
4
0.000
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