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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 101-8 out of 8
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Si_rate
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Maximum force (fmax)
Uniqe row ID (id)
Magnetic moment (magmom)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
Formula
✕
Age
✕
PBC
✕
E
✕
Energy
✕
Mass
✕
Number of atoms
✕
Au_rate
✕
Au
10
Si
6
43M
TTT
0.303
-59.682
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.674
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.675
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.682
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.671
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.681
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.683
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.675
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.673
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.679
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.682
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.682
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.682
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.683
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.682
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.681
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.670
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.681
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.679
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.681
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.682
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.682
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.683
2138.176
16
0.625
Au
10
Si
6
43M
TTT
0.303
-59.681
2138.176
16
0.625
Au
8
Si
4
43M
TTT
0.296
-43.735
1688.073
12
0.667
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