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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)
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
✕
Number of atoms
✕
Au
14
Si
8
0.000
vasp
-81.786
22
Au
14
Si
8
0.000
vasp
-81.777
22
Au
10
Si
4
0.000
vasp
-50.365
14
Au
10
Si
4
0.000
vasp
-50.370
14
Au
10
Si
4
0.000
vasp
-50.368
14
Au
10
Si
4
0.000
vasp
-50.367
14
Au
10
Si
4
0.000
vasp
-50.372
14
Au
10
Si
4
0.000
vasp
-50.372
14
Au
10
Si
4
0.000
vasp
-50.371
14
Au
10
Si
4
0.000
vasp
-50.368
14
Au
10
Si
4
0.000
vasp
-50.368
14
Au
10
Si
4
0.000
vasp
-50.376
14
Au
10
Si
4
0.000
vasp
-50.371
14
Au
10
Si
4
0.000
vasp
-50.374
14
Au
10
Si
4
0.000
vasp
-50.373
14
Au
10
Si
4
0.000
vasp
-50.373
14
Au
10
Si
4
0.000
vasp
-50.371
14
Au
10
Si
4
0.000
vasp
-50.374
14
Au
10
Si
4
0.000
vasp
-50.376
14
Au
10
Si
4
0.000
vasp
-50.366
14
Au
10
Si
4
0.000
vasp
-50.377
14
Au
10
Si
4
0.000
vasp
-50.377
14
Au
10
Si
4
0.000
vasp
-50.377
14
Au
10
Si
4
0.000
vasp
-50.375
14
Au
10
Si
4
0.000
vasp
-50.370
14
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