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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 2180
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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)
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
✕
1
Au
10
Si
4
-50.378
2
Au
10
Si
4
-50.382
3
Au
10
Si
4
-50.378
4
Au
10
Si
4
-50.376
5
Au
10
Si
4
-50.381
6
Au
10
Si
4
-50.382
7
Au
10
Si
4
-50.377
8
Au
10
Si
4
-50.374
9
Au
10
Si
4
-50.376
10
Au
10
Si
4
-50.380
11
Au
10
Si
4
-50.377
12
Au
10
Si
4
-50.378
13
Au
10
Si
4
-50.377
14
Au
10
Si
4
-50.370
15
Au
10
Si
4
-50.381
16
Au
10
Si
4
-50.375
17
Au
10
Si
4
-50.378
18
Au
10
Si
4
-50.378
19
Au
10
Si
4
-50.374
20
Au
10
Si
4
-50.377
21
Au
10
Si
4
-50.381
22
Au
10
Si
4
-50.372
23
Au
10
Si
4
-50.372
24
Au
10
Si
4
-50.372
25
Au
10
Si
4
-50.372
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