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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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E
Si_rate
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Age
✕
Volume
✕
Au_rate
✕
26
Au
10
Si
4
43M
1721.431
0.714
27
Au
10
Si
4
43M
1721.907
0.714
28
Au
10
Si
4
43M
1721.764
0.714
29
Au
10
Si
4
43M
1721.743
0.714
30
Au
10
Si
4
43M
1721.783
0.714
31
Au
10
Si
4
43M
1721.196
0.714
32
Au
10
Si
4
43M
1721.686
0.714
33
Au
10
Si
4
43M
1721.952
0.714
34
Au
10
Si
4
43M
1722.454
0.714
35
Au
10
Si
4
43M
1722.269
0.714
36
Au
10
Si
4
43M
1722.023
0.714
37
Au
10
Si
4
43M
1721.960
0.714
38
Au
10
Si
4
43M
1721.867
0.714
39
Au
10
Si
4
43M
1721.952
0.714
40
Au
10
Si
4
43M
1721.748
0.714
41
Au
10
Si
4
43M
1721.747
0.714
42
Au
10
Si
4
43M
1722.174
0.714
43
Au
10
Si
4
43M
1721.793
0.714
44
Au
10
Si
4
43M
1722.066
0.714
45
Au
10
Si
4
43M
1721.811
0.714
46
Au
10
Si
4
43M
1721.955
0.714
47
Au
10
Si
4
43M
1721.958
0.714
48
Au
10
Si
4
43M
1721.958
0.714
49
Au
10
Si
4
43M
1721.802
0.714
50
Au
10
Si
4
43M
1721.991
0.714
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