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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 351-17 out of 17
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
↓
ID
✕
Formula
✕
Charge
✕
351
Au
16
Si
8
0.000
352
Au
16
Si
8
0.000
353
Au
16
Si
8
0.000
354
Au
16
Si
8
0.000
355
Au
16
Si
8
0.000
356
Au
16
Si
8
0.000
357
Au
16
Si
8
0.000
358
Au
16
Si
8
0.000
359
Au
16
Si
8
0.000
360
Au
16
Si
8
0.000
361
Au
16
Si
8
0.000
362
Au
16
Si
8
0.000
363
Au
16
Si
8
0.000
364
Au
16
Si
8
0.000
365
Au
16
Si
8
0.000
366
Au
16
Si
8
0.000
367
Au
16
Si
8
0.000
368
Au
16
Si
8
0.000
369
Au
16
Si
8
0.000
370
Au
16
Si
8
0.000
371
Au
16
Si
8
0.000
372
Au
16
Si
8
0.000
373
Au
16
Si
8
0.000
374
Au
16
Si
8
0.000
375
Au
16
Si
8
0.000
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