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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 1876-17 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
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ID
✕
Formula
✕
Maximum stress
✕
1876
Au
10
Si
4
0.000
1877
Au
10
Si
4
0.001
1878
Au
10
Si
4
0.000
1879
Au
10
Si
4
0.001
1880
Au
10
Si
4
0.000
1881
Au
10
Si
4
0.001
1882
Au
10
Si
4
0.001
1883
Au
10
Si
4
0.000
1884
Au
10
Si
4
0.001
1885
Au
10
Si
4
0.000
1886
Au
10
Si
4
0.001
1887
Au
10
Si
4
0.000
1888
Au
10
Si
4
0.000
1889
Au
10
Si
4
0.001
1890
Au
10
Si
4
0.001
1891
Au
10
Si
4
0.001
1892
Au
10
Si
4
0.001
1893
Au
10
Si
4
0.000
1894
Au
10
Si
4
0.000
1895
Au
10
Si
4
0.000
1896
Au
10
Si
4
0.001
1897
Au
10
Si
4
0.000
1898
Au
10
Si
4
0.001
1899
Au
10
Si
4
0.001
1900
Au
10
Si
4
0.001
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