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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 26-8 out of 8
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Au_rate
E
Time since creation (age)
ASE-calculator name (calculator)
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
✕
Si_rate
✕
Energy
✕
Charge
✕
26
Au
10
Si
4
0.286
-50.373
0.000
27
Au
10
Si
4
0.286
-50.380
0.000
28
Au
10
Si
4
0.286
-50.378
0.000
29
Au
10
Si
4
0.286
-50.370
0.000
30
Au
10
Si
4
0.286
-50.379
0.000
31
Au
10
Si
4
0.286
-50.380
0.000
32
Au
10
Si
4
0.286
-50.383
0.000
33
Au
10
Si
4
0.286
-50.372
0.000
34
Au
10
Si
4
0.286
-50.365
0.000
35
Au
10
Si
4
0.286
-50.370
0.000
36
Au
10
Si
4
0.286
-50.375
0.000
37
Au
10
Si
4
0.286
-50.371
0.000
38
Au
10
Si
4
0.286
-50.378
0.000
39
Au
10
Si
4
0.286
-50.380
0.000
40
Au
10
Si
4
0.286
-50.379
0.000
41
Au
10
Si
4
0.286
-50.380
0.000
42
Au
10
Si
4
0.286
-50.381
0.000
43
Au
10
Si
4
0.286
-50.378
0.000
44
Au
10
Si
4
0.286
-50.365
0.000
45
Au
10
Si
4
0.286
-50.382
0.000
46
Au
10
Si
4
0.286
-50.373
0.000
47
Au
10
Si
4
0.286
-50.376
0.000
48
Au
10
Si
4
0.286
-50.381
0.000
49
Au
10
Si
4
0.286
-50.377
0.000
50
Au
10
Si
4
0.286
-50.373
0.000
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