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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 401-18 out of 18
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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
✕
401
Au
16
Si
8
0.006
402
Au
16
Si
8
0.013
403
Au
16
Si
8
0.009
404
Au
16
Si
8
0.006
405
Au
16
Si
8
0.010
406
Au
16
Si
8
0.006
407
Au
16
Si
8
0.010
408
Au
16
Si
8
0.311
409
Au
16
Si
8
0.021
410
Au
16
Si
8
0.008
411
Au
16
Si
8
0.024
412
Au
16
Si
8
0.021
413
Au
16
Si
8
0.019
414
Au
16
Si
8
0.296
415
Au
16
Si
8
0.040
416
Au
16
Si
8
0.014
417
Au
16
Si
8
0.009
418
Au
16
Si
8
0.006
419
Au
16
Si
8
0.016
420
Au
16
Si
8
0.025
421
Au
16
Si
8
0.007
422
Au
16
Si
8
0.010
423
Au
16
Si
8
0.068
424
Au
16
Si
8
0.026
425
Au
16
Si
8
0.011
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