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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 1451-17 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
✕
1451
Au
8
Si
4
vasp
1452
Au
8
Si
4
vasp
1453
Au
8
Si
4
vasp
1454
Au
8
Si
4
vasp
1455
Au
8
Si
4
vasp
1456
Au
8
Si
4
vasp
1457
Au
8
Si
4
vasp
1458
Au
8
Si
4
vasp
1459
Au
8
Si
4
vasp
1460
Au
8
Si
4
vasp
1461
Au
8
Si
4
vasp
1462
Au
8
Si
4
vasp
1463
Au
8
Si
4
vasp
1464
Au
8
Si
4
vasp
1465
Au
8
Si
4
vasp
1466
Au
8
Si
4
vasp
1467
Au
8
Si
4
vasp
1468
Au
8
Si
4
vasp
1469
Au
8
Si
4
vasp
1470
Au
8
Si
4
vasp
1471
Au
8
Si
4
vasp
1472
Au
8
Si
4
vasp
1473
Au
8
Si
4
vasp
1474
Au
8
Si
4
vasp
1475
Au
8
Si
4
vasp
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