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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 476-31 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
✕
476
Au
16
Si
8
-87.939
477
Au
16
Si
8
-87.576
478
Au
16
Si
8
-87.949
479
Au
16
Si
8
-87.530
480
Au
16
Si
8
-87.577
481
Au
16
Si
8
-87.581
482
Au
16
Si
8
-87.497
483
Au
16
Si
8
-87.959
484
Au
16
Si
8
-87.950
485
Au
16
Si
8
-87.568
486
Au
16
Si
8
-87.959
487
Au
16
Si
8
-87.564
488
Au
16
Si
8
-87.562
489
Au
16
Si
8
-87.566
490
Au
16
Si
8
-87.545
491
Au
16
Si
8
-87.574
492
Au
16
Si
8
-87.950
493
Au
16
Si
8
-87.569
494
Au
16
Si
8
-87.481
495
Au
16
Si
8
-87.958
496
Au
16
Si
8
-87.479
497
Au
16
Si
8
-87.948
498
Au
16
Si
8
-87.554
499
Au
16
Si
8
-87.579
500
Au
16
Si
8
-87.960
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