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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 1426-31 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)
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
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ID
✕
Formula
✕
Maximum force
✕
1426
Au
8
Si
4
0.008
1427
Au
8
Si
4
0.014
1428
Au
8
Si
4
0.010
1429
Au
8
Si
4
0.026
1430
Au
8
Si
4
0.009
1431
Au
8
Si
4
0.042
1432
Au
8
Si
4
0.008
1433
Au
8
Si
4
0.010
1434
Au
8
Si
4
0.059
1435
Au
8
Si
4
0.008
1436
Au
8
Si
4
0.006
1437
Au
8
Si
4
0.020
1438
Au
8
Si
4
0.688
1439
Au
8
Si
4
0.015
1440
Au
8
Si
4
0.011
1441
Au
8
Si
4
0.008
1442
Au
8
Si
4
0.011
1443
Au
8
Si
4
0.017
1444
Au
8
Si
4
0.005
1445
Au
8
Si
4
0.010
1446
Au
8
Si
4
0.008
1447
Au
8
Si
4
0.008
1448
Au
8
Si
4
0.020
1449
Au
8
Si
4
0.025
1450
Au
8
Si
4
0.034
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