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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 1576-517 out of 517
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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
✕
1576
Au
8
Si
4
vasp
1577
Au
8
Si
4
vasp
1578
Au
8
Si
4
vasp
1579
Au
8
Si
4
vasp
1580
Au
8
Si
4
vasp
1581
Au
8
Si
4
vasp
1582
Au
8
Si
4
vasp
1583
Au
8
Si
4
vasp
1584
Au
8
Si
4
vasp
1585
Au
8
Si
4
vasp
1586
Au
8
Si
4
vasp
1587
Au
8
Si
4
vasp
1588
Au
8
Si
4
vasp
1589
Au
8
Si
4
vasp
1590
Au
8
Si
4
vasp
1591
Au
8
Si
4
vasp
1592
Au
8
Si
4
vasp
1593
Au
8
Si
4
vasp
1594
Au
8
Si
4
vasp
1595
Au
8
Si
4
vasp
1596
Au
8
Si
4
vasp
1597
Au
8
Si
4
vasp
1598
Au
8
Si
4
vasp
1599
Au
8
Si
4
vasp
1600
Au
8
Si
4
vasp
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