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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 1401-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
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
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200
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ID
✕
Formula
✕
Calculator
✕
1401
Au
8
Si
4
vasp
1402
Au
8
Si
4
vasp
1403
Au
8
Si
4
vasp
1404
Au
8
Si
4
vasp
1405
Au
8
Si
4
vasp
1406
Au
8
Si
4
vasp
1407
Au
8
Si
4
vasp
1408
Au
8
Si
4
vasp
1409
Au
8
Si
4
vasp
1410
Au
8
Si
4
vasp
1411
Au
8
Si
4
vasp
1412
Au
8
Si
4
vasp
1413
Au
8
Si
4
vasp
1414
Au
8
Si
4
vasp
1415
Au
8
Si
4
vasp
1416
Au
8
Si
4
vasp
1417
Au
8
Si
4
vasp
1418
Au
8
Si
4
vasp
1419
Au
8
Si
4
vasp
1420
Au
8
Si
4
vasp
1421
Au
8
Si
4
vasp
1422
Au
8
Si
4
vasp
1423
Au
8
Si
4
vasp
1424
Au
8
Si
4
vasp
1425
Au
8
Si
4
vasp
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