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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 1-8 out of 8
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E
Si_rate
Time since creation (age)
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
✕
Au_rate
✕
Energy
✕
Calculator
✕
1
Au
10
Si
4
0.714
-50.378
vasp
2
Au
10
Si
4
0.714
-50.382
vasp
3
Au
10
Si
4
0.714
-50.378
vasp
4
Au
10
Si
4
0.714
-50.376
vasp
5
Au
10
Si
4
0.714
-50.381
vasp
6
Au
10
Si
4
0.714
-50.382
vasp
7
Au
10
Si
4
0.714
-50.377
vasp
8
Au
10
Si
4
0.714
-50.374
vasp
9
Au
10
Si
4
0.714
-50.376
vasp
10
Au
10
Si
4
0.714
-50.380
vasp
11
Au
10
Si
4
0.714
-50.377
vasp
12
Au
10
Si
4
0.714
-50.378
vasp
13
Au
10
Si
4
0.714
-50.377
vasp
14
Au
10
Si
4
0.714
-50.370
vasp
15
Au
10
Si
4
0.714
-50.381
vasp
16
Au
10
Si
4
0.714
-50.375
vasp
17
Au
10
Si
4
0.714
-50.378
vasp
18
Au
10
Si
4
0.714
-50.378
vasp
19
Au
10
Si
4
0.714
-50.374
vasp
20
Au
10
Si
4
0.714
-50.377
vasp
21
Au
10
Si
4
0.714
-50.381
vasp
22
Au
10
Si
4
0.714
-50.372
vasp
23
Au
10
Si
4
0.714
-50.372
vasp
24
Au
10
Si
4
0.714
-50.372
vasp
25
Au
10
Si
4
0.714
-50.372
vasp
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