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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 1-25 out of 517
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Maximum force (fmax)
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
↓
ID
✕
Formula
✕
Energy
✕
Number of atoms
✕
1
Au
10
Si
4
-50.378
14
2
Au
10
Si
4
-50.382
14
3
Au
10
Si
4
-50.378
14
4
Au
10
Si
4
-50.376
14
5
Au
10
Si
4
-50.381
14
6
Au
10
Si
4
-50.382
14
7
Au
10
Si
4
-50.377
14
8
Au
10
Si
4
-50.374
14
9
Au
10
Si
4
-50.376
14
10
Au
10
Si
4
-50.380
14
11
Au
10
Si
4
-50.377
14
12
Au
10
Si
4
-50.378
14
13
Au
10
Si
4
-50.377
14
14
Au
10
Si
4
-50.370
14
15
Au
10
Si
4
-50.381
14
16
Au
10
Si
4
-50.375
14
17
Au
10
Si
4
-50.378
14
18
Au
10
Si
4
-50.378
14
19
Au
10
Si
4
-50.374
14
20
Au
10
Si
4
-50.377
14
21
Au
10
Si
4
-50.381
14
22
Au
10
Si
4
-50.372
14
23
Au
10
Si
4
-50.372
14
24
Au
10
Si
4
-50.372
14
25
Au
10
Si
4
-50.372
14
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