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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 501-17 out of 17
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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
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ID
✕
Formula
✕
Calculator
✕
501
Au
16
Si
8
vasp
502
Au
16
Si
8
vasp
503
Au
16
Si
8
vasp
504
Au
16
Si
8
vasp
505
Au
10
Si
4
vasp
506
Au
10
Si
4
vasp
507
Au
10
Si
4
vasp
508
Au
10
Si
4
vasp
509
Au
10
Si
4
vasp
510
Au
10
Si
4
vasp
511
Au
10
Si
4
vasp
512
Au
10
Si
4
vasp
513
Au
10
Si
4
vasp
514
Au
10
Si
4
vasp
515
Au
10
Si
4
vasp
516
Au
10
Si
4
vasp
517
Au
10
Si
4
vasp
518
Au
10
Si
4
vasp
519
Au
10
Si
4
vasp
520
Au
10
Si
4
vasp
521
Au
10
Si
4
vasp
522
Au
10
Si
4
vasp
523
Au
10
Si
4
vasp
524
Au
10
Si
4
vasp
525
Au
10
Si
4
vasp
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