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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 501-525 out of 2180
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
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
100
200
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ID
✕
Formula
✕
501
Au
16
Si
8
502
Au
16
Si
8
503
Au
16
Si
8
504
Au
16
Si
8
505
Au
10
Si
4
506
Au
10
Si
4
507
Au
10
Si
4
508
Au
10
Si
4
509
Au
10
Si
4
510
Au
10
Si
4
511
Au
10
Si
4
512
Au
10
Si
4
513
Au
10
Si
4
514
Au
10
Si
4
515
Au
10
Si
4
516
Au
10
Si
4
517
Au
10
Si
4
518
Au
10
Si
4
519
Au
10
Si
4
520
Au
10
Si
4
521
Au
10
Si
4
522
Au
10
Si
4
523
Au
10
Si
4
524
Au
10
Si
4
525
Au
10
Si
4
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