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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 501-525 out of 594
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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
✕
501
Au
16
Si
8
0.000
502
Au
16
Si
8
0.000
503
Au
16
Si
8
0.000
504
Au
16
Si
8
0.000
505
Au
10
Si
4
0.000
506
Au
10
Si
4
0.000
507
Au
10
Si
4
0.000
508
Au
10
Si
4
0.000
509
Au
10
Si
4
0.000
510
Au
10
Si
4
0.000
511
Au
10
Si
4
0.000
512
Au
10
Si
4
0.000
513
Au
10
Si
4
0.000
514
Au
10
Si
4
0.000
515
Au
10
Si
4
0.000
516
Au
10
Si
4
0.000
517
Au
10
Si
4
0.000
518
Au
10
Si
4
0.000
519
Au
10
Si
4
0.000
520
Au
10
Si
4
0.000
521
Au
10
Si
4
0.000
522
Au
10
Si
4
0.000
523
Au
10
Si
4
0.000
524
Au
10
Si
4
0.000
525
Au
10
Si
4
0.000
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