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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 376-8 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
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ID
✕
Formula
✕
Energy
✕
376
Au
16
Si
8
-87.958
377
Au
16
Si
8
-87.923
378
Au
16
Si
8
-87.569
379
Au
16
Si
8
-87.562
380
Au
16
Si
8
-87.890
381
Au
16
Si
8
-87.960
382
Au
16
Si
8
-87.949
383
Au
16
Si
8
-87.956
384
Au
16
Si
8
-87.948
385
Au
16
Si
8
-87.968
386
Au
16
Si
8
-88.716
387
Au
16
Si
8
-87.949
388
Au
16
Si
8
-87.926
389
Au
16
Si
8
-87.948
390
Au
16
Si
8
-87.956
391
Au
16
Si
8
-87.936
392
Au
16
Si
8
-87.554
393
Au
16
Si
8
-87.553
394
Au
16
Si
8
-87.562
395
Au
16
Si
8
-87.574
396
Au
16
Si
8
-87.930
397
Au
16
Si
8
-87.954
398
Au
16
Si
8
-87.557
399
Au
16
Si
8
-87.958
400
Au
16
Si
8
-87.544
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