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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 451-17 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
100
200
↓
ID
✕
Formula
✕
Charge
✕
451
Au
16
Si
8
0.000
452
Au
16
Si
8
0.000
453
Au
16
Si
8
0.000
454
Au
16
Si
8
0.000
455
Au
16
Si
8
0.000
456
Au
16
Si
8
0.000
457
Au
16
Si
8
0.000
458
Au
16
Si
8
0.000
459
Au
16
Si
8
0.000
460
Au
16
Si
8
0.000
461
Au
16
Si
8
0.000
462
Au
16
Si
8
0.000
463
Au
16
Si
8
0.000
464
Au
16
Si
8
0.000
465
Au
16
Si
8
0.000
466
Au
16
Si
8
0.000
467
Au
16
Si
8
0.000
468
Au
16
Si
8
0.000
469
Au
16
Si
8
0.000
470
Au
16
Si
8
0.000
471
Au
16
Si
8
0.000
472
Au
16
Si
8
0.000
473
Au
16
Si
8
0.000
474
Au
16
Si
8
0.000
475
Au
16
Si
8
0.000
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