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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 2176-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
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
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ID
✕
Formula
✕
Charge
✕
Energy
✕
Calculator
✕
2176
Au
20
Si
8
0.000
-100.818
vasp
2177
Au
20
Si
8
0.000
-100.824
vasp
2178
Au
20
Si
8
0.000
-100.808
vasp
2179
Au
20
Si
8
0.000
-100.788
vasp
2180
Au
20
Si
8
0.000
-100.838
vasp
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