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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 1901-17 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)
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
↓
ID
✕
Formula
✕
Mass
✕
1901
Au
10
Si
4
2082.006
1902
Au
10
Si
4
2082.006
1903
Au
10
Si
4
2082.006
1904
Au
10
Si
4
2082.006
1905
Au
10
Si
4
2082.006
1906
Au
10
Si
4
2082.006
1907
Au
10
Si
4
2082.006
1908
Au
10
Si
4
2082.006
1909
Au
10
Si
4
2082.006
1910
Au
10
Si
4
2082.006
1911
Au
10
Si
4
2082.006
1912
Au
10
Si
4
2082.006
1913
Au
10
Si
4
2082.006
1914
Au
10
Si
4
2082.006
1915
Au
10
Si
4
2082.006
1916
Au
10
Si
4
2082.006
1917
Au
10
Si
4
2082.006
1918
Au
10
Si
4
2082.006
1919
Au
10
Si
4
2082.006
1920
Au
10
Si
4
2082.006
1921
Au
10
Si
4
2082.006
1922
Au
10
Si
4
2082.006
1923
Au
10
Si
4
2082.006
1924
Au
10
Si
4
2082.006
1925
Au
10
Si
4
2082.006
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