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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 826-18 out of 18
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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)
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
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200
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ID
✕
Formula
✕
Mass
✕
826
Au
8
Si
4
1688.073
827
Au
8
Si
4
1688.073
828
Au
8
Si
4
1688.073
829
Au
8
Si
4
1688.073
830
Au
8
Si
4
1688.073
831
Au
8
Si
4
1688.073
832
Au
8
Si
4
1688.073
833
Au
8
Si
4
1688.073
834
Au
8
Si
4
1688.073
835
Au
8
Si
4
1688.073
836
Au
8
Si
4
1688.073
837
Au
8
Si
4
1688.073
838
Au
8
Si
4
1688.073
839
Au
8
Si
4
1688.073
840
Au
8
Si
4
1688.073
841
Au
8
Si
4
1688.073
842
Au
8
Si
4
1688.073
843
Au
8
Si
4
1688.073
844
Au
8
Si
4
1688.073
845
Au
8
Si
4
1688.073
846
Au
8
Si
4
1688.073
847
Au
8
Si
4
1688.073
848
Au
8
Si
4
1688.073
849
Au
8
Si
4
1688.073
850
Au
8
Si
4
1688.073
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