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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 2126-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
Maximum force (fmax)
Uniqe row ID (id)
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
100
200
Formula
✕
Charge
✕
Calculator
✕
Energy
✕
Au
14
Si
8
0.000
vasp
-81.786
Au
14
Si
8
0.000
vasp
-81.777
Au
10
Si
4
0.000
vasp
-50.365
Au
10
Si
4
0.000
vasp
-50.370
Au
10
Si
4
0.000
vasp
-50.368
Au
10
Si
4
0.000
vasp
-50.367
Au
10
Si
4
0.000
vasp
-50.372
Au
10
Si
4
0.000
vasp
-50.372
Au
10
Si
4
0.000
vasp
-50.371
Au
10
Si
4
0.000
vasp
-50.368
Au
10
Si
4
0.000
vasp
-50.368
Au
10
Si
4
0.000
vasp
-50.376
Au
10
Si
4
0.000
vasp
-50.371
Au
10
Si
4
0.000
vasp
-50.374
Au
10
Si
4
0.000
vasp
-50.373
Au
10
Si
4
0.000
vasp
-50.373
Au
10
Si
4
0.000
vasp
-50.371
Au
10
Si
4
0.000
vasp
-50.374
Au
10
Si
4
0.000
vasp
-50.376
Au
10
Si
4
0.000
vasp
-50.366
Au
10
Si
4
0.000
vasp
-50.377
Au
10
Si
4
0.000
vasp
-50.377
Au
10
Si
4
0.000
vasp
-50.377
Au
10
Si
4
0.000
vasp
-50.375
Au
10
Si
4
0.000
vasp
-50.370
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