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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)
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
✕
Si_rate
✕
Energy
✕
26
Au
10
Si
4
0.286
-50.373
27
Au
10
Si
4
0.286
-50.380
28
Au
10
Si
4
0.286
-50.378
29
Au
10
Si
4
0.286
-50.370
30
Au
10
Si
4
0.286
-50.379
31
Au
10
Si
4
0.286
-50.380
32
Au
10
Si
4
0.286
-50.383
33
Au
10
Si
4
0.286
-50.372
34
Au
10
Si
4
0.286
-50.365
35
Au
10
Si
4
0.286
-50.370
36
Au
10
Si
4
0.286
-50.375
37
Au
10
Si
4
0.286
-50.371
38
Au
10
Si
4
0.286
-50.378
39
Au
10
Si
4
0.286
-50.380
40
Au
10
Si
4
0.286
-50.379
41
Au
10
Si
4
0.286
-50.380
42
Au
10
Si
4
0.286
-50.381
43
Au
10
Si
4
0.286
-50.378
44
Au
10
Si
4
0.286
-50.365
45
Au
10
Si
4
0.286
-50.382
46
Au
10
Si
4
0.286
-50.373
47
Au
10
Si
4
0.286
-50.376
48
Au
10
Si
4
0.286
-50.381
49
Au
10
Si
4
0.286
-50.377
50
Au
10
Si
4
0.286
-50.373
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