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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 1901-31 out of 31
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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
↓
ID
✕
Formula
✕
Energy
✕
1901
Au
10
Si
4
-50.351
1902
Au
10
Si
4
-50.381
1903
Au
10
Si
4
-50.356
1904
Au
10
Si
4
-50.366
1905
Au
10
Si
4
-50.358
1906
Au
10
Si
4
-50.376
1907
Au
10
Si
4
-50.357
1908
Au
10
Si
4
-50.359
1909
Au
10
Si
4
-50.369
1910
Au
10
Si
4
-50.359
1911
Au
10
Si
4
-50.376
1912
Au
10
Si
4
-50.366
1913
Au
10
Si
4
-50.366
1914
Au
10
Si
4
-50.379
1915
Au
10
Si
4
-50.373
1916
Au
10
Si
4
-50.375
1917
Au
10
Si
4
-50.358
1918
Au
10
Si
4
-50.362
1919
Au
10
Si
4
-50.370
1920
Au
10
Si
4
-50.371
1921
Au
10
Si
4
-50.360
1922
Au
10
Si
4
-50.358
1923
Au
10
Si
4
-50.375
1924
Au
10
Si
4
-50.368
1925
Au
10
Si
4
-50.360
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