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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 326-31 out of 31
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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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ID
✕
Formula
✕
Mass
✕
326
Au
16
Si
8
3376.145
327
Au
16
Si
8
3376.145
328
Au
16
Si
8
3376.145
329
Au
16
Si
8
3376.145
330
Au
16
Si
8
3376.145
331
Au
16
Si
8
3376.145
332
Au
16
Si
8
3376.145
333
Au
16
Si
8
3376.145
334
Au
16
Si
8
3376.145
335
Au
16
Si
8
3376.145
336
Au
16
Si
8
3376.145
337
Au
16
Si
8
3376.145
338
Au
16
Si
8
3376.145
339
Au
16
Si
8
3376.145
340
Au
16
Si
8
3376.145
341
Au
16
Si
8
3376.145
342
Au
16
Si
8
3376.145
343
Au
16
Si
8
3376.145
344
Au
16
Si
8
3376.145
345
Au
16
Si
8
3376.145
346
Au
16
Si
8
3376.145
347
Au
16
Si
8
3376.145
348
Au
16
Si
8
3376.145
349
Au
16
Si
8
3376.145
350
Au
16
Si
8
3376.145
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