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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 2101-8 out of 8
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Au_rate
Si_rate
Time since creation (age)
Maximum force (fmax)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
Formula
✕
E
✕
Charge
✕
Maximum stress
✕
Calculator
✕
Mass
✕
Energy
✕
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.788
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.790
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.790
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.794
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.779
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.780
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.792
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.779
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.779
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.791
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.785
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.780
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.776
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.779
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.791
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.789
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.778
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.788
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.776
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.791
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.792
Au
14
Si
8
0.290
0.000
0.000
vasp
2982.212
-81.789
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.793
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.790
Au
14
Si
8
0.290
0.000
0.001
vasp
2982.212
-81.779
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