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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 51-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
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
✕
Charge
✕
Energy
✕
Number of atoms
✕
51
Au
10
Si
4
0.000
-50.366
14
52
Au
10
Si
4
0.000
-50.363
14
53
Au
10
Si
4
0.000
-50.364
14
54
Au
10
Si
4
0.000
-50.381
14
55
Au
10
Si
4
0.000
-50.369
14
56
Au
10
Si
4
0.000
-50.380
14
57
Au
10
Si
4
0.000
-50.381
14
58
Au
10
Si
4
0.000
-50.374
14
59
Au
10
Si
4
0.000
-50.363
14
60
Au
10
Si
4
0.000
-50.375
14
61
Au
10
Si
4
0.000
-50.366
14
62
Au
10
Si
4
0.000
-50.375
14
63
Au
10
Si
4
0.000
-50.369
14
64
Au
10
Si
4
0.000
-50.366
14
65
Au
10
Si
4
0.000
-50.361
14
66
Au
10
Si
4
0.000
-50.374
14
67
Au
10
Si
4
0.000
-50.370
14
68
Au
10
Si
4
0.000
-50.379
14
69
Au
10
Si
4
0.000
-50.371
14
70
Au
10
Si
4
0.000
-50.379
14
71
Au
10
Si
4
0.000
-50.374
14
72
Au
10
Si
4
0.000
-50.379
14
73
Au
10
Si
4
0.000
-50.377
14
74
Au
10
Si
4
0.000
-50.369
14
75
Au
10
Si
4
0.000
-50.374
14
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