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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 301-325 out of 517
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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)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
↓
ID
✕
Formula
✕
Maximum stress
✕
301
Au
8
Si
4
0.001
302
Au
8
Si
4
0.001
303
Au
8
Si
4
0.001
304
Au
8
Si
4
0.001
305
Au
8
Si
4
0.002
306
Au
8
Si
4
0.001
307
Au
8
Si
4
0.001
308
Au
8
Si
4
0.001
309
Au
8
Si
4
0.001
310
Au
8
Si
4
0.001
311
Au
8
Si
4
0.001
312
Au
8
Si
4
0.001
313
Au
8
Si
4
0.001
314
Au
8
Si
4
0.001
315
Au
16
Si
8
0.001
316
Au
16
Si
8
0.001
317
Au
16
Si
8
0.001
318
Au
16
Si
8
0.001
319
Au
16
Si
8
0.001
320
Au
16
Si
8
0.001
321
Au
16
Si
8
0.001
322
Au
16
Si
8
0.001
323
Au
16
Si
8
0.001
324
Au
16
Si
8
0.001
325
Au
16
Si
8
0.001
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