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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 476-31 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)
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
✕
476
Au
16
Si
8
0.029
477
Au
16
Si
8
0.007
478
Au
16
Si
8
0.010
479
Au
16
Si
8
0.088
480
Au
16
Si
8
0.018
481
Au
16
Si
8
0.013
482
Au
16
Si
8
0.009
483
Au
16
Si
8
0.010
484
Au
16
Si
8
0.008
485
Au
16
Si
8
0.007
486
Au
16
Si
8
0.009
487
Au
16
Si
8
0.028
488
Au
16
Si
8
0.023
489
Au
16
Si
8
0.010
490
Au
16
Si
8
0.029
491
Au
16
Si
8
0.009
492
Au
16
Si
8
0.007
493
Au
16
Si
8
0.008
494
Au
16
Si
8
0.006
495
Au
16
Si
8
0.009
496
Au
16
Si
8
0.010
497
Au
16
Si
8
0.008
498
Au
16
Si
8
0.025
499
Au
16
Si
8
0.015
500
Au
16
Si
8
0.010
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