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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)
ASE-calculator name (calculator)
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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
1676
Au
10
Si
4
0.001
1677
Au
10
Si
4
0.000
1678
Au
10
Si
4
0.000
1679
Au
10
Si
4
0.001
1680
Au
10
Si
4
0.000
1681
Au
10
Si
4
0.000
1682
Au
10
Si
4
0.001
1683
Au
10
Si
4
0.001
1684
Au
10
Si
4
0.000
1685
Au
10
Si
4
0.001
1686
Au
10
Si
4
0.001
1687
Au
10
Si
4
0.001
1688
Au
10
Si
4
0.001
1689
Au
10
Si
4
0.001
1690
Au
10
Si
4
0.001
1691
Au
10
Si
4
0.000
1692
Au
10
Si
4
0.000
1693
Au
10
Si
4
0.001
1694
Au
10
Si
4
0.001
1695
Au
10
Si
4
0.001
1696
Au
10
Si
4
0.000
1697
Au
10
Si
4
0.001
1698
Au
10
Si
4
0.001
1699
Au
10
Si
4
0.001
1700
Au
10
Si
4
0.001
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