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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 1676-17 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
10
25
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ID
✕
Formula
✕
Calculator
✕
1676
Au
10
Si
4
vasp
1677
Au
10
Si
4
vasp
1678
Au
10
Si
4
vasp
1679
Au
10
Si
4
vasp
1680
Au
10
Si
4
vasp
1681
Au
10
Si
4
vasp
1682
Au
10
Si
4
vasp
1683
Au
10
Si
4
vasp
1684
Au
10
Si
4
vasp
1685
Au
10
Si
4
vasp
1686
Au
10
Si
4
vasp
1687
Au
10
Si
4
vasp
1688
Au
10
Si
4
vasp
1689
Au
10
Si
4
vasp
1690
Au
10
Si
4
vasp
1691
Au
10
Si
4
vasp
1692
Au
10
Si
4
vasp
1693
Au
10
Si
4
vasp
1694
Au
10
Si
4
vasp
1695
Au
10
Si
4
vasp
1696
Au
10
Si
4
vasp
1697
Au
10
Si
4
vasp
1698
Au
10
Si
4
vasp
1699
Au
10
Si
4
vasp
1700
Au
10
Si
4
vasp
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