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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)
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
1426
Au
8
Si
4
-44.334
1427
Au
8
Si
4
-44.358
1428
Au
8
Si
4
-44.333
1429
Au
8
Si
4
-44.347
1430
Au
8
Si
4
-44.336
1431
Au
8
Si
4
-44.349
1432
Au
8
Si
4
-43.779
1433
Au
8
Si
4
-44.350
1434
Au
8
Si
4
-43.772
1435
Au
8
Si
4
-44.348
1436
Au
8
Si
4
-43.764
1437
Au
8
Si
4
-43.790
1438
Au
8
Si
4
-43.609
1439
Au
8
Si
4
-43.796
1440
Au
8
Si
4
-44.351
1441
Au
8
Si
4
-44.342
1442
Au
8
Si
4
-44.346
1443
Au
8
Si
4
-44.332
1444
Au
8
Si
4
-43.784
1445
Au
8
Si
4
-44.347
1446
Au
8
Si
4
-43.781
1447
Au
8
Si
4
-43.796
1448
Au
8
Si
4
-44.349
1449
Au
8
Si
4
-44.326
1450
Au
8
Si
4
-43.771
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