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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 1426-17 out of 17
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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
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200
↓
ID
✕
Formula
✕
Maximum stress
✕
1426
Au
8
Si
4
0.001
1427
Au
8
Si
4
0.001
1428
Au
8
Si
4
0.001
1429
Au
8
Si
4
0.001
1430
Au
8
Si
4
0.001
1431
Au
8
Si
4
0.001
1432
Au
8
Si
4
0.001
1433
Au
8
Si
4
0.001
1434
Au
8
Si
4
0.000
1435
Au
8
Si
4
0.001
1436
Au
8
Si
4
0.000
1437
Au
8
Si
4
0.001
1438
Au
8
Si
4
0.005
1439
Au
8
Si
4
0.001
1440
Au
8
Si
4
0.001
1441
Au
8
Si
4
0.001
1442
Au
8
Si
4
0.001
1443
Au
8
Si
4
0.001
1444
Au
8
Si
4
0.001
1445
Au
8
Si
4
0.001
1446
Au
8
Si
4
0.001
1447
Au
8
Si
4
0.001
1448
Au
8
Si
4
0.001
1449
Au
8
Si
4
0.001
1450
Au
8
Si
4
0.001
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