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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 426-450 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
✕
426
Au
16
Si
8
0.008
427
Au
16
Si
8
0.028
428
Au
16
Si
8
0.019
429
Au
16
Si
8
0.142
430
Au
16
Si
8
0.010
431
Au
16
Si
8
0.012
432
Au
16
Si
8
0.009
433
Au
16
Si
8
0.016
434
Au
16
Si
8
0.020
435
Au
16
Si
8
0.006
436
Au
16
Si
8
0.006
437
Au
16
Si
8
0.010
438
Au
16
Si
8
0.023
439
Au
16
Si
8
0.007
440
Au
16
Si
8
0.010
441
Au
16
Si
8
0.013
442
Au
16
Si
8
0.009
443
Au
16
Si
8
0.028
444
Au
16
Si
8
0.007
445
Au
16
Si
8
0.014
446
Au
16
Si
8
0.009
447
Au
16
Si
8
0.016
448
Au
16
Si
8
0.009
449
Au
16
Si
8
0.011
450
Au
16
Si
8
0.007
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