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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
Time since creation (age)
Net charge in unit cell (charge)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Au_rate
✕
Energy
✕
Calculator
✕
PBC
✕
26
Au
10
Si
4
0.714
-50.373
vasp
TTT
27
Au
10
Si
4
0.714
-50.380
vasp
TTT
28
Au
10
Si
4
0.714
-50.378
vasp
TTT
29
Au
10
Si
4
0.714
-50.370
vasp
TTT
30
Au
10
Si
4
0.714
-50.379
vasp
TTT
31
Au
10
Si
4
0.714
-50.380
vasp
TTT
32
Au
10
Si
4
0.714
-50.383
vasp
TTT
33
Au
10
Si
4
0.714
-50.372
vasp
TTT
34
Au
10
Si
4
0.714
-50.365
vasp
TTT
35
Au
10
Si
4
0.714
-50.370
vasp
TTT
36
Au
10
Si
4
0.714
-50.375
vasp
TTT
37
Au
10
Si
4
0.714
-50.371
vasp
TTT
38
Au
10
Si
4
0.714
-50.378
vasp
TTT
39
Au
10
Si
4
0.714
-50.380
vasp
TTT
40
Au
10
Si
4
0.714
-50.379
vasp
TTT
41
Au
10
Si
4
0.714
-50.380
vasp
TTT
42
Au
10
Si
4
0.714
-50.381
vasp
TTT
43
Au
10
Si
4
0.714
-50.378
vasp
TTT
44
Au
10
Si
4
0.714
-50.365
vasp
TTT
45
Au
10
Si
4
0.714
-50.382
vasp
TTT
46
Au
10
Si
4
0.714
-50.373
vasp
TTT
47
Au
10
Si
4
0.714
-50.376
vasp
TTT
48
Au
10
Si
4
0.714
-50.381
vasp
TTT
49
Au
10
Si
4
0.714
-50.377
vasp
TTT
50
Au
10
Si
4
0.714
-50.373
vasp
TTT
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