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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 1426-594 out of 594
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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
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ID
✕
Formula
✕
Calculator
✕
1426
Au
8
Si
4
vasp
1427
Au
8
Si
4
vasp
1428
Au
8
Si
4
vasp
1429
Au
8
Si
4
vasp
1430
Au
8
Si
4
vasp
1431
Au
8
Si
4
vasp
1432
Au
8
Si
4
vasp
1433
Au
8
Si
4
vasp
1434
Au
8
Si
4
vasp
1435
Au
8
Si
4
vasp
1436
Au
8
Si
4
vasp
1437
Au
8
Si
4
vasp
1438
Au
8
Si
4
vasp
1439
Au
8
Si
4
vasp
1440
Au
8
Si
4
vasp
1441
Au
8
Si
4
vasp
1442
Au
8
Si
4
vasp
1443
Au
8
Si
4
vasp
1444
Au
8
Si
4
vasp
1445
Au
8
Si
4
vasp
1446
Au
8
Si
4
vasp
1447
Au
8
Si
4
vasp
1448
Au
8
Si
4
vasp
1449
Au
8
Si
4
vasp
1450
Au
8
Si
4
vasp
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