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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 401-8 out of 8
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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)
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
↓
ID
✕
Formula
✕
Mass
✕
401
Au
16
Si
8
3376.145
402
Au
16
Si
8
3376.145
403
Au
16
Si
8
3376.145
404
Au
16
Si
8
3376.145
405
Au
16
Si
8
3376.145
406
Au
16
Si
8
3376.145
407
Au
16
Si
8
3376.145
408
Au
16
Si
8
3376.145
409
Au
16
Si
8
3376.145
410
Au
16
Si
8
3376.145
411
Au
16
Si
8
3376.145
412
Au
16
Si
8
3376.145
413
Au
16
Si
8
3376.145
414
Au
16
Si
8
3376.145
415
Au
16
Si
8
3376.145
416
Au
16
Si
8
3376.145
417
Au
16
Si
8
3376.145
418
Au
16
Si
8
3376.145
419
Au
16
Si
8
3376.145
420
Au
16
Si
8
3376.145
421
Au
16
Si
8
3376.145
422
Au
16
Si
8
3376.145
423
Au
16
Si
8
3376.145
424
Au
16
Si
8
3376.145
425
Au
16
Si
8
3376.145
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