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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)
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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
826
Au
8
Si
4
0.000
827
Au
8
Si
4
0.000
828
Au
8
Si
4
0.000
829
Au
8
Si
4
0.000
830
Au
8
Si
4
0.000
831
Au
8
Si
4
0.000
832
Au
8
Si
4
0.000
833
Au
8
Si
4
0.000
834
Au
8
Si
4
0.000
835
Au
8
Si
4
0.000
836
Au
8
Si
4
0.000
837
Au
8
Si
4
0.000
838
Au
8
Si
4
0.000
839
Au
8
Si
4
0.000
840
Au
8
Si
4
0.000
841
Au
8
Si
4
0.000
842
Au
8
Si
4
0.000
843
Au
8
Si
4
0.000
844
Au
8
Si
4
0.000
845
Au
8
Si
4
0.000
846
Au
8
Si
4
0.000
847
Au
8
Si
4
0.000
848
Au
8
Si
4
0.000
849
Au
8
Si
4
0.000
850
Au
8
Si
4
0.000
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