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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 451-475 out of 517
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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
↓
ID
✕
Formula
✕
Maximum force
✕
451
Au
16
Si
8
0.010
452
Au
16
Si
8
0.023
453
Au
16
Si
8
0.010
454
Au
16
Si
8
0.009
455
Au
16
Si
8
0.010
456
Au
16
Si
8
0.013
457
Au
16
Si
8
0.008
458
Au
16
Si
8
0.006
459
Au
16
Si
8
0.009
460
Au
16
Si
8
0.005
461
Au
16
Si
8
0.007
462
Au
16
Si
8
0.011
463
Au
16
Si
8
0.008
464
Au
16
Si
8
0.010
465
Au
16
Si
8
0.027
466
Au
16
Si
8
0.017
467
Au
16
Si
8
0.006
468
Au
16
Si
8
0.010
469
Au
16
Si
8
0.038
470
Au
16
Si
8
0.008
471
Au
16
Si
8
0.009
472
Au
16
Si
8
0.014
473
Au
16
Si
8
0.020
474
Au
16
Si
8
0.103
475
Au
16
Si
8
0.007
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