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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 401-414 out of 414
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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
✕
401
Au
16
Si
8
-87.962
402
Au
16
Si
8
-87.574
403
Au
16
Si
8
-87.565
404
Au
16
Si
8
-88.722
405
Au
16
Si
8
-87.954
406
Au
16
Si
8
-87.955
407
Au
16
Si
8
-87.947
408
Au
16
Si
8
-87.342
409
Au
16
Si
8
-87.564
410
Au
16
Si
8
-87.572
411
Au
16
Si
8
-88.723
412
Au
16
Si
8
-87.550
413
Au
16
Si
8
-87.540
414
Au
16
Si
8
-87.493
415
Au
16
Si
8
-87.963
416
Au
16
Si
8
-87.560
417
Au
16
Si
8
-87.943
418
Au
16
Si
8
-87.950
419
Au
16
Si
8
-87.947
420
Au
16
Si
8
-87.948
421
Au
16
Si
8
-87.950
422
Au
16
Si
8
-87.567
423
Au
16
Si
8
-87.939
424
Au
16
Si
8
-88.723
425
Au
16
Si
8
-87.947
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