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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 1751-31 out of 31
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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
50
100
200
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ID
✕
Formula
✕
Calculator
✕
1751
Au
10
Si
4
vasp
1752
Au
10
Si
4
vasp
1753
Au
10
Si
4
vasp
1754
Au
10
Si
4
vasp
1755
Au
10
Si
4
vasp
1756
Au
10
Si
4
vasp
1757
Au
10
Si
4
vasp
1758
Au
10
Si
4
vasp
1759
Au
10
Si
4
vasp
1760
Au
10
Si
4
vasp
1761
Au
10
Si
4
vasp
1762
Au
10
Si
4
vasp
1763
Au
10
Si
4
vasp
1764
Au
10
Si
4
vasp
1765
Au
10
Si
4
vasp
1766
Au
10
Si
4
vasp
1767
Au
10
Si
4
vasp
1768
Au
10
Si
4
vasp
1769
Au
10
Si
4
vasp
1770
Au
10
Si
4
vasp
1771
Au
10
Si
4
vasp
1772
Au
10
Si
4
vasp
1773
Au
10
Si
4
vasp
1774
Au
10
Si
4
vasp
1775
Au
10
Si
4
vasp
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