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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 1476-17 out of 17
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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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25
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ID
✕
Formula
✕
Calculator
✕
1476
Au
8
Si
4
vasp
1477
Au
8
Si
4
vasp
1478
Au
8
Si
4
vasp
1479
Au
8
Si
4
vasp
1480
Au
8
Si
4
vasp
1481
Au
8
Si
4
vasp
1482
Au
8
Si
4
vasp
1483
Au
8
Si
4
vasp
1484
Au
8
Si
4
vasp
1485
Au
8
Si
4
vasp
1486
Au
8
Si
4
vasp
1487
Au
8
Si
4
vasp
1488
Au
8
Si
4
vasp
1489
Au
8
Si
4
vasp
1490
Au
8
Si
4
vasp
1491
Au
8
Si
4
vasp
1492
Au
8
Si
4
vasp
1493
Au
8
Si
4
vasp
1494
Au
8
Si
4
vasp
1495
Au
8
Si
4
vasp
1496
Au
8
Si
4
vasp
1497
Au
8
Si
4
vasp
1498
Au
8
Si
4
vasp
1499
Au
8
Si
4
vasp
1500
Au
8
Si
4
vasp
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