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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 1401-8 out of 8
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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
✕
1401
Au
8
Si
4
-43.778
1402
Au
8
Si
4
-43.783
1403
Au
8
Si
4
-44.339
1404
Au
8
Si
4
-43.783
1405
Au
8
Si
4
-44.324
1406
Au
8
Si
4
-43.475
1407
Au
8
Si
4
-44.333
1408
Au
8
Si
4
-43.789
1409
Au
8
Si
4
-44.352
1410
Au
8
Si
4
-43.739
1411
Au
8
Si
4
-43.774
1412
Au
8
Si
4
-44.339
1413
Au
8
Si
4
-43.788
1414
Au
8
Si
4
-43.448
1415
Au
8
Si
4
-43.795
1416
Au
8
Si
4
-44.335
1417
Au
8
Si
4
-44.349
1418
Au
8
Si
4
-44.340
1419
Au
8
Si
4
-44.334
1420
Au
8
Si
4
-43.769
1421
Au
8
Si
4
-43.798
1422
Au
8
Si
4
-43.753
1423
Au
8
Si
4
-44.346
1424
Au
8
Si
4
-43.792
1425
Au
8
Si
4
-44.328
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