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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 501-31 out of 31
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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
✕
501
Au
16
Si
8
0.001
502
Au
16
Si
8
0.001
503
Au
16
Si
8
0.001
504
Au
16
Si
8
0.001
505
Au
10
Si
4
0.001
506
Au
10
Si
4
0.001
507
Au
10
Si
4
0.001
508
Au
10
Si
4
0.001
509
Au
10
Si
4
0.001
510
Au
10
Si
4
0.001
511
Au
10
Si
4
0.001
512
Au
10
Si
4
0.001
513
Au
10
Si
4
0.001
514
Au
10
Si
4
0.001
515
Au
10
Si
4
0.000
516
Au
10
Si
4
0.000
517
Au
10
Si
4
0.001
518
Au
10
Si
4
0.000
519
Au
10
Si
4
0.001
520
Au
10
Si
4
0.001
521
Au
10
Si
4
0.001
522
Au
10
Si
4
0.000
523
Au
10
Si
4
0.001
524
Au
10
Si
4
0.001
525
Au
10
Si
4
0.001
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