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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 826-31 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)
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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
826
Au
8
Si
4
0.001
827
Au
8
Si
4
0.001
828
Au
8
Si
4
0.001
829
Au
8
Si
4
0.001
830
Au
8
Si
4
0.001
831
Au
8
Si
4
0.001
832
Au
8
Si
4
0.001
833
Au
8
Si
4
0.001
834
Au
8
Si
4
0.001
835
Au
8
Si
4
0.001
836
Au
8
Si
4
0.001
837
Au
8
Si
4
0.001
838
Au
8
Si
4
0.001
839
Au
8
Si
4
0.001
840
Au
8
Si
4
0.001
841
Au
8
Si
4
0.001
842
Au
8
Si
4
0.001
843
Au
8
Si
4
0.001
844
Au
8
Si
4
0.001
845
Au
8
Si
4
0.001
846
Au
8
Si
4
0.001
847
Au
8
Si
4
0.001
848
Au
8
Si
4
0.001
849
Au
8
Si
4
0.001
850
Au
8
Si
4
0.001
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