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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 276-18 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)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
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
✕
Energy
✕
276
Au
8
Si
4
-43.754
277
Au
8
Si
4
-44.354
278
Au
8
Si
4
-43.753
279
Au
8
Si
4
-44.344
280
Au
8
Si
4
-43.753
281
Au
8
Si
4
-43.795
282
Au
8
Si
4
-43.750
283
Au
8
Si
4
-44.348
284
Au
8
Si
4
-43.749
285
Au
8
Si
4
-44.351
286
Au
8
Si
4
-44.348
287
Au
8
Si
4
-44.356
288
Au
8
Si
4
-43.988
289
Au
8
Si
4
-44.352
290
Au
8
Si
4
-44.349
291
Au
8
Si
4
-43.753
292
Au
8
Si
4
-44.348
293
Au
8
Si
4
-43.751
294
Au
8
Si
4
-44.339
295
Au
8
Si
4
-44.354
296
Au
8
Si
4
-43.996
297
Au
8
Si
4
-43.789
298
Au
8
Si
4
-44.349
299
Au
8
Si
4
-43.787
300
Au
8
Si
4
-44.349
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