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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 901-18 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
✕
901
Au
8
Si
4
1688.073
902
Au
8
Si
4
1688.073
903
Au
8
Si
4
1688.073
904
Au
8
Si
4
1688.073
905
Au
8
Si
4
1688.073
906
Au
8
Si
4
1688.073
907
Au
8
Si
4
1688.073
908
Au
8
Si
4
1688.073
909
Au
8
Si
4
1688.073
910
Au
8
Si
4
1688.073
911
Au
8
Si
4
1688.073
912
Au
8
Si
4
1688.073
913
Au
8
Si
4
1688.073
914
Au
8
Si
4
1688.073
915
Au
8
Si
4
1688.073
916
Au
8
Si
4
1688.073
917
Au
8
Si
4
1688.073
918
Au
8
Si
4
1688.073
919
Au
8
Si
4
1688.073
920
Au
8
Si
4
1688.073
921
Au
8
Si
4
1688.073
922
Au
8
Si
4
1688.073
923
Au
8
Si
4
1688.073
924
Au
8
Si
4
1688.073
925
Au
8
Si
4
1688.073
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