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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
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
✕
26
Au
10
Si
4
43M
1721.431
27
Au
10
Si
4
43M
1721.907
28
Au
10
Si
4
43M
1721.764
29
Au
10
Si
4
43M
1721.743
30
Au
10
Si
4
43M
1721.783
31
Au
10
Si
4
43M
1721.196
32
Au
10
Si
4
43M
1721.686
33
Au
10
Si
4
43M
1721.952
34
Au
10
Si
4
43M
1722.454
35
Au
10
Si
4
43M
1722.269
36
Au
10
Si
4
43M
1722.023
37
Au
10
Si
4
43M
1721.960
38
Au
10
Si
4
43M
1721.867
39
Au
10
Si
4
43M
1721.952
40
Au
10
Si
4
43M
1721.748
41
Au
10
Si
4
43M
1721.747
42
Au
10
Si
4
43M
1722.174
43
Au
10
Si
4
43M
1721.793
44
Au
10
Si
4
43M
1722.066
45
Au
10
Si
4
43M
1721.811
46
Au
10
Si
4
43M
1721.955
47
Au
10
Si
4
43M
1721.958
48
Au
10
Si
4
43M
1721.958
49
Au
10
Si
4
43M
1721.802
50
Au
10
Si
4
43M
1721.991
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