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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 301-8 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
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200
↓
ID
✕
Formula
✕
Mass
✕
301
Au
8
Si
4
1688.073
302
Au
8
Si
4
1688.073
303
Au
8
Si
4
1688.073
304
Au
8
Si
4
1688.073
305
Au
8
Si
4
1688.073
306
Au
8
Si
4
1688.073
307
Au
8
Si
4
1688.073
308
Au
8
Si
4
1688.073
309
Au
8
Si
4
1688.073
310
Au
8
Si
4
1688.073
311
Au
8
Si
4
1688.073
312
Au
8
Si
4
1688.073
313
Au
8
Si
4
1688.073
314
Au
8
Si
4
1688.073
315
Au
16
Si
8
3376.145
316
Au
16
Si
8
3376.145
317
Au
16
Si
8
3376.145
318
Au
16
Si
8
3376.145
319
Au
16
Si
8
3376.145
320
Au
16
Si
8
3376.145
321
Au
16
Si
8
3376.145
322
Au
16
Si
8
3376.145
323
Au
16
Si
8
3376.145
324
Au
16
Si
8
3376.145
325
Au
16
Si
8
3376.145
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