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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 1426-18 out of 18
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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)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
1426
Au
8
Si
4
1423.780
1427
Au
8
Si
4
1427.413
1428
Au
8
Si
4
1425.768
1429
Au
8
Si
4
1426.720
1430
Au
8
Si
4
1427.061
1431
Au
8
Si
4
1427.552
1432
Au
8
Si
4
1443.510
1433
Au
8
Si
4
1425.449
1434
Au
8
Si
4
1443.661
1435
Au
8
Si
4
1427.451
1436
Au
8
Si
4
1444.315
1437
Au
8
Si
4
1443.659
1438
Au
8
Si
4
1421.128
1439
Au
8
Si
4
1443.716
1440
Au
8
Si
4
1427.064
1441
Au
8
Si
4
1426.760
1442
Au
8
Si
4
1427.464
1443
Au
8
Si
4
1423.628
1444
Au
8
Si
4
1444.112
1445
Au
8
Si
4
1427.239
1446
Au
8
Si
4
1443.989
1447
Au
8
Si
4
1443.745
1448
Au
8
Si
4
1426.262
1449
Au
8
Si
4
1422.435
1450
Au
8
Si
4
1441.843
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