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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 426-18 out of 18
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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
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200
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ID
✕
Formula
✕
Mass
✕
426
Au
16
Si
8
3376.145
427
Au
16
Si
8
3376.145
428
Au
16
Si
8
3376.145
429
Au
16
Si
8
3376.145
430
Au
16
Si
8
3376.145
431
Au
16
Si
8
3376.145
432
Au
16
Si
8
3376.145
433
Au
16
Si
8
3376.145
434
Au
16
Si
8
3376.145
435
Au
16
Si
8
3376.145
436
Au
16
Si
8
3376.145
437
Au
16
Si
8
3376.145
438
Au
16
Si
8
3376.145
439
Au
16
Si
8
3376.145
440
Au
16
Si
8
3376.145
441
Au
16
Si
8
3376.145
442
Au
16
Si
8
3376.145
443
Au
16
Si
8
3376.145
444
Au
16
Si
8
3376.145
445
Au
16
Si
8
3376.145
446
Au
16
Si
8
3376.145
447
Au
16
Si
8
3376.145
448
Au
16
Si
8
3376.145
449
Au
16
Si
8
3376.145
450
Au
16
Si
8
3376.145
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