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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 826-8 out of 8
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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
✕
826
Au
8
Si
4
-44.352
827
Au
8
Si
4
-44.348
828
Au
8
Si
4
-44.355
829
Au
8
Si
4
-44.355
830
Au
8
Si
4
-43.782
831
Au
8
Si
4
-44.325
832
Au
8
Si
4
-44.355
833
Au
8
Si
4
-44.343
834
Au
8
Si
4
-44.355
835
Au
8
Si
4
-44.346
836
Au
8
Si
4
-44.353
837
Au
8
Si
4
-44.338
838
Au
8
Si
4
-44.332
839
Au
8
Si
4
-44.350
840
Au
8
Si
4
-44.338
841
Au
8
Si
4
-44.355
842
Au
8
Si
4
-44.352
843
Au
8
Si
4
-44.331
844
Au
8
Si
4
-44.351
845
Au
8
Si
4
-43.794
846
Au
8
Si
4
-44.357
847
Au
8
Si
4
-44.355
848
Au
8
Si
4
-44.350
849
Au
8
Si
4
-44.329
850
Au
8
Si
4
-43.789
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