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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 351-18 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
✕
351
Au
16
Si
8
3376.145
352
Au
16
Si
8
3376.145
353
Au
16
Si
8
3376.145
354
Au
16
Si
8
3376.145
355
Au
16
Si
8
3376.145
356
Au
16
Si
8
3376.145
357
Au
16
Si
8
3376.145
358
Au
16
Si
8
3376.145
359
Au
16
Si
8
3376.145
360
Au
16
Si
8
3376.145
361
Au
16
Si
8
3376.145
362
Au
16
Si
8
3376.145
363
Au
16
Si
8
3376.145
364
Au
16
Si
8
3376.145
365
Au
16
Si
8
3376.145
366
Au
16
Si
8
3376.145
367
Au
16
Si
8
3376.145
368
Au
16
Si
8
3376.145
369
Au
16
Si
8
3376.145
370
Au
16
Si
8
3376.145
371
Au
16
Si
8
3376.145
372
Au
16
Si
8
3376.145
373
Au
16
Si
8
3376.145
374
Au
16
Si
8
3376.145
375
Au
16
Si
8
3376.145
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