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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
Time since creation (age)
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
✕
Charge
✕
Calculator
✕
51
Au
10
Si
4
0.286
-50.366
0.000
vasp
52
Au
10
Si
4
0.286
-50.363
0.000
vasp
53
Au
10
Si
4
0.286
-50.364
0.000
vasp
54
Au
10
Si
4
0.286
-50.381
0.000
vasp
55
Au
10
Si
4
0.286
-50.369
0.000
vasp
56
Au
10
Si
4
0.286
-50.380
0.000
vasp
57
Au
10
Si
4
0.286
-50.381
0.000
vasp
58
Au
10
Si
4
0.286
-50.374
0.000
vasp
59
Au
10
Si
4
0.286
-50.363
0.000
vasp
60
Au
10
Si
4
0.286
-50.375
0.000
vasp
61
Au
10
Si
4
0.286
-50.366
0.000
vasp
62
Au
10
Si
4
0.286
-50.375
0.000
vasp
63
Au
10
Si
4
0.286
-50.369
0.000
vasp
64
Au
10
Si
4
0.286
-50.366
0.000
vasp
65
Au
10
Si
4
0.286
-50.361
0.000
vasp
66
Au
10
Si
4
0.286
-50.374
0.000
vasp
67
Au
10
Si
4
0.286
-50.370
0.000
vasp
68
Au
10
Si
4
0.286
-50.379
0.000
vasp
69
Au
10
Si
4
0.286
-50.371
0.000
vasp
70
Au
10
Si
4
0.286
-50.379
0.000
vasp
71
Au
10
Si
4
0.286
-50.374
0.000
vasp
72
Au
10
Si
4
0.286
-50.379
0.000
vasp
73
Au
10
Si
4
0.286
-50.377
0.000
vasp
74
Au
10
Si
4
0.286
-50.369
0.000
vasp
75
Au
10
Si
4
0.286
-50.374
0.000
vasp
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