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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 1401-517 out of 517
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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
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200
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ID
✕
Formula
✕
Maximum force
✕
1401
Au
8
Si
4
0.014
1402
Au
8
Si
4
0.011
1403
Au
8
Si
4
0.011
1404
Au
8
Si
4
0.005
1405
Au
8
Si
4
0.009
1406
Au
8
Si
4
0.172
1407
Au
8
Si
4
0.009
1408
Au
8
Si
4
0.009
1409
Au
8
Si
4
0.022
1410
Au
8
Si
4
0.189
1411
Au
8
Si
4
0.013
1412
Au
8
Si
4
0.009
1413
Au
8
Si
4
0.019
1414
Au
8
Si
4
0.296
1415
Au
8
Si
4
0.009
1416
Au
8
Si
4
0.008
1417
Au
8
Si
4
0.016
1418
Au
8
Si
4
0.027
1419
Au
8
Si
4
0.007
1420
Au
8
Si
4
0.027
1421
Au
8
Si
4
0.008
1422
Au
8
Si
4
0.075
1423
Au
8
Si
4
0.015
1424
Au
8
Si
4
0.046
1425
Au
8
Si
4
0.010
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