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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 414
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Au_rate
E
Si_rate
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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
100
200
↓
ID
✕
Formula
✕
Energy
✕
Age
✕
1
Au
10
Si
4
-50.378
52M
2
Au
10
Si
4
-50.382
52M
3
Au
10
Si
4
-50.378
52M
4
Au
10
Si
4
-50.376
52M
5
Au
10
Si
4
-50.381
52M
6
Au
10
Si
4
-50.382
52M
7
Au
10
Si
4
-50.377
52M
8
Au
10
Si
4
-50.374
52M
9
Au
10
Si
4
-50.376
52M
10
Au
10
Si
4
-50.380
52M
11
Au
10
Si
4
-50.377
52M
12
Au
10
Si
4
-50.378
52M
13
Au
10
Si
4
-50.377
52M
14
Au
10
Si
4
-50.370
52M
15
Au
10
Si
4
-50.381
52M
16
Au
10
Si
4
-50.375
52M
17
Au
10
Si
4
-50.378
52M
18
Au
10
Si
4
-50.378
52M
19
Au
10
Si
4
-50.374
52M
20
Au
10
Si
4
-50.377
52M
21
Au
10
Si
4
-50.381
52M
22
Au
10
Si
4
-50.372
52M
23
Au
10
Si
4
-50.372
52M
24
Au
10
Si
4
-50.372
52M
25
Au
10
Si
4
-50.372
52M
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