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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)
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
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200
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ID
✕
Formula
✕
Maximum force
✕
826
Au
8
Si
4
0.009
827
Au
8
Si
4
0.016
828
Au
8
Si
4
0.009
829
Au
8
Si
4
0.026
830
Au
8
Si
4
0.010
831
Au
8
Si
4
0.021
832
Au
8
Si
4
0.006
833
Au
8
Si
4
0.008
834
Au
8
Si
4
0.035
835
Au
8
Si
4
0.043
836
Au
8
Si
4
0.051
837
Au
8
Si
4
0.010
838
Au
8
Si
4
0.038
839
Au
8
Si
4
0.015
840
Au
8
Si
4
0.022
841
Au
8
Si
4
0.007
842
Au
8
Si
4
0.009
843
Au
8
Si
4
0.023
844
Au
8
Si
4
0.017
845
Au
8
Si
4
0.005
846
Au
8
Si
4
0.012
847
Au
8
Si
4
0.009
848
Au
8
Si
4
0.008
849
Au
8
Si
4
0.009
850
Au
8
Si
4
0.035
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