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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 1401-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
1401
Au
8
Si
4
0.000
1402
Au
8
Si
4
0.000
1403
Au
8
Si
4
0.000
1404
Au
8
Si
4
0.000
1405
Au
8
Si
4
0.000
1406
Au
8
Si
4
0.000
1407
Au
8
Si
4
0.000
1408
Au
8
Si
4
0.000
1409
Au
8
Si
4
0.000
1410
Au
8
Si
4
0.000
1411
Au
8
Si
4
0.000
1412
Au
8
Si
4
0.000
1413
Au
8
Si
4
0.000
1414
Au
8
Si
4
0.000
1415
Au
8
Si
4
0.000
1416
Au
8
Si
4
0.000
1417
Au
8
Si
4
0.000
1418
Au
8
Si
4
0.000
1419
Au
8
Si
4
0.000
1420
Au
8
Si
4
0.000
1421
Au
8
Si
4
0.000
1422
Au
8
Si
4
0.000
1423
Au
8
Si
4
0.000
1424
Au
8
Si
4
0.000
1425
Au
8
Si
4
0.000
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