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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)
Net charge in unit cell (charge)
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
✕
Number of atoms
✕
Energy
✕
51
Au
10
Si
4
14
-50.366
52
Au
10
Si
4
14
-50.363
53
Au
10
Si
4
14
-50.364
54
Au
10
Si
4
14
-50.381
55
Au
10
Si
4
14
-50.369
56
Au
10
Si
4
14
-50.380
57
Au
10
Si
4
14
-50.381
58
Au
10
Si
4
14
-50.374
59
Au
10
Si
4
14
-50.363
60
Au
10
Si
4
14
-50.375
61
Au
10
Si
4
14
-50.366
62
Au
10
Si
4
14
-50.375
63
Au
10
Si
4
14
-50.369
64
Au
10
Si
4
14
-50.366
65
Au
10
Si
4
14
-50.361
66
Au
10
Si
4
14
-50.374
67
Au
10
Si
4
14
-50.370
68
Au
10
Si
4
14
-50.379
69
Au
10
Si
4
14
-50.371
70
Au
10
Si
4
14
-50.379
71
Au
10
Si
4
14
-50.374
72
Au
10
Si
4
14
-50.379
73
Au
10
Si
4
14
-50.377
74
Au
10
Si
4
14
-50.369
75
Au
10
Si
4
14
-50.374
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