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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 276-127 out of 127
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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)
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
✕
Maximum force
✕
276
Au
8
Si
4
0.008
277
Au
8
Si
4
0.008
278
Au
8
Si
4
0.009
279
Au
8
Si
4
0.009
280
Au
8
Si
4
0.007
281
Au
8
Si
4
0.033
282
Au
8
Si
4
0.008
283
Au
8
Si
4
0.039
284
Au
8
Si
4
0.010
285
Au
8
Si
4
0.021
286
Au
8
Si
4
0.017
287
Au
8
Si
4
0.012
288
Au
8
Si
4
0.011
289
Au
8
Si
4
0.019
290
Au
8
Si
4
0.014
291
Au
8
Si
4
0.009
292
Au
8
Si
4
0.029
293
Au
8
Si
4
0.008
294
Au
8
Si
4
0.008
295
Au
8
Si
4
0.016
296
Au
8
Si
4
0.010
297
Au
8
Si
4
0.010
298
Au
8
Si
4
0.034
299
Au
8
Si
4
0.009
300
Au
8
Si
4
0.033
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