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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 1401-31 out of 31
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
1401
Au
8
Si
4
0.001
1402
Au
8
Si
4
0.001
1403
Au
8
Si
4
0.001
1404
Au
8
Si
4
0.001
1405
Au
8
Si
4
0.001
1406
Au
8
Si
4
0.002
1407
Au
8
Si
4
0.001
1408
Au
8
Si
4
0.001
1409
Au
8
Si
4
0.001
1410
Au
8
Si
4
0.001
1411
Au
8
Si
4
0.001
1412
Au
8
Si
4
0.001
1413
Au
8
Si
4
0.001
1414
Au
8
Si
4
0.003
1415
Au
8
Si
4
0.001
1416
Au
8
Si
4
0.001
1417
Au
8
Si
4
0.001
1418
Au
8
Si
4
0.001
1419
Au
8
Si
4
0.001
1420
Au
8
Si
4
0.001
1421
Au
8
Si
4
0.001
1422
Au
8
Si
4
0.001
1423
Au
8
Si
4
0.001
1424
Au
8
Si
4
0.001
1425
Au
8
Si
4
0.001
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