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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 901-17 out of 17
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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
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200
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ID
✕
Formula
✕
Charge
✕
901
Au
8
Si
4
0.000
902
Au
8
Si
4
0.000
903
Au
8
Si
4
0.000
904
Au
8
Si
4
0.000
905
Au
8
Si
4
0.000
906
Au
8
Si
4
0.000
907
Au
8
Si
4
0.000
908
Au
8
Si
4
0.000
909
Au
8
Si
4
0.000
910
Au
8
Si
4
0.000
911
Au
8
Si
4
0.000
912
Au
8
Si
4
0.000
913
Au
8
Si
4
0.000
914
Au
8
Si
4
0.000
915
Au
8
Si
4
0.000
916
Au
8
Si
4
0.000
917
Au
8
Si
4
0.000
918
Au
8
Si
4
0.000
919
Au
8
Si
4
0.000
920
Au
8
Si
4
0.000
921
Au
8
Si
4
0.000
922
Au
8
Si
4
0.000
923
Au
8
Si
4
0.000
924
Au
8
Si
4
0.000
925
Au
8
Si
4
0.000
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