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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 576-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
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ID
✕
Formula
✕
Calculator
✕
576
Au
10
Si
4
vasp
577
Au
10
Si
4
vasp
578
Au
10
Si
4
vasp
579
Au
10
Si
4
vasp
580
Au
10
Si
4
vasp
581
Au
10
Si
4
vasp
582
Au
10
Si
4
vasp
583
Au
10
Si
4
vasp
584
Au
10
Si
4
vasp
585
Au
10
Si
4
vasp
586
Au
10
Si
4
vasp
587
Au
10
Si
4
vasp
588
Au
10
Si
4
vasp
589
Au
10
Si
4
vasp
590
Au
10
Si
4
vasp
591
Au
10
Si
4
vasp
592
Au
10
Si
4
vasp
593
Au
10
Si
4
vasp
594
Au
10
Si
4
vasp
595
Au
10
Si
4
vasp
596
Au
10
Si
4
vasp
597
Au
10
Si
4
vasp
598
Au
10
Si
4
vasp
599
Au
8
Si
4
vasp
600
Au
8
Si
4
vasp
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