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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 426-8 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)
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
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
426
Au
16
Si
8
0.001
427
Au
16
Si
8
0.001
428
Au
16
Si
8
0.001
429
Au
16
Si
8
0.001
430
Au
16
Si
8
0.001
431
Au
16
Si
8
0.001
432
Au
16
Si
8
0.001
433
Au
16
Si
8
0.001
434
Au
16
Si
8
0.001
435
Au
16
Si
8
0.001
436
Au
16
Si
8
0.001
437
Au
16
Si
8
0.001
438
Au
16
Si
8
0.001
439
Au
16
Si
8
0.001
440
Au
16
Si
8
0.001
441
Au
16
Si
8
0.001
442
Au
16
Si
8
0.001
443
Au
16
Si
8
0.001
444
Au
16
Si
8
0.001
445
Au
16
Si
8
0.001
446
Au
16
Si
8
0.001
447
Au
16
Si
8
0.000
448
Au
16
Si
8
0.001
449
Au
16
Si
8
0.001
450
Au
16
Si
8
0.001
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