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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 501-17 out of 17
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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)
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
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ID
✕
Formula
✕
Maximum force
✕
501
Au
16
Si
8
0.007
502
Au
16
Si
8
0.088
503
Au
16
Si
8
0.014
504
Au
16
Si
8
0.009
505
Au
10
Si
4
0.007
506
Au
10
Si
4
0.005
507
Au
10
Si
4
0.009
508
Au
10
Si
4
0.010
509
Au
10
Si
4
0.007
510
Au
10
Si
4
0.005
511
Au
10
Si
4
0.010
512
Au
10
Si
4
0.010
513
Au
10
Si
4
0.009
514
Au
10
Si
4
0.008
515
Au
10
Si
4
0.008
516
Au
10
Si
4
0.009
517
Au
10
Si
4
0.007
518
Au
10
Si
4
0.008
519
Au
10
Si
4
0.007
520
Au
10
Si
4
0.006
521
Au
10
Si
4
0.005
522
Au
10
Si
4
0.002
523
Au
10
Si
4
0.007
524
Au
10
Si
4
0.009
525
Au
10
Si
4
0.004
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