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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 851-31 out of 31
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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
50
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200
↓
ID
✕
Formula
✕
Charge
✕
851
Au
8
Si
4
0.000
852
Au
8
Si
4
0.000
853
Au
8
Si
4
0.000
854
Au
8
Si
4
0.000
855
Au
8
Si
4
0.000
856
Au
8
Si
4
0.000
857
Au
8
Si
4
0.000
858
Au
8
Si
4
0.000
859
Au
8
Si
4
0.000
860
Au
8
Si
4
0.000
861
Au
8
Si
4
0.000
862
Au
8
Si
4
0.000
863
Au
8
Si
4
0.000
864
Au
8
Si
4
0.000
865
Au
8
Si
4
0.000
866
Au
8
Si
4
0.000
867
Au
8
Si
4
0.000
868
Au
8
Si
4
0.000
869
Au
8
Si
4
0.000
870
Au
8
Si
4
0.000
871
Au
8
Si
4
0.000
872
Au
8
Si
4
0.000
873
Au
8
Si
4
0.000
874
Au
8
Si
4
0.000
875
Au
8
Si
4
0.000
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