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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)
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
✕
1876
Au
10
Si
4
-50.364
1877
Au
10
Si
4
-50.371
1878
Au
10
Si
4
-50.373
1879
Au
10
Si
4
-50.379
1880
Au
10
Si
4
-50.365
1881
Au
10
Si
4
-50.363
1882
Au
10
Si
4
-50.377
1883
Au
10
Si
4
-50.347
1884
Au
10
Si
4
-50.362
1885
Au
10
Si
4
-50.367
1886
Au
10
Si
4
-50.368
1887
Au
10
Si
4
-50.377
1888
Au
10
Si
4
-50.364
1889
Au
10
Si
4
-50.363
1890
Au
10
Si
4
-50.368
1891
Au
10
Si
4
-50.373
1892
Au
10
Si
4
-50.371
1893
Au
10
Si
4
-50.369
1894
Au
10
Si
4
-50.369
1895
Au
10
Si
4
-50.358
1896
Au
10
Si
4
-50.368
1897
Au
10
Si
4
-50.372
1898
Au
10
Si
4
-50.362
1899
Au
10
Si
4
-50.380
1900
Au
10
Si
4
-50.377
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