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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 426-17 out of 17
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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
✕
426
Au
16
Si
8
-88.729
427
Au
16
Si
8
-87.587
428
Au
16
Si
8
-87.936
429
Au
16
Si
8
-87.903
430
Au
16
Si
8
-88.729
431
Au
16
Si
8
-87.579
432
Au
16
Si
8
-87.562
433
Au
16
Si
8
-88.721
434
Au
16
Si
8
-87.560
435
Au
16
Si
8
-87.567
436
Au
16
Si
8
-87.945
437
Au
16
Si
8
-87.567
438
Au
16
Si
8
-87.568
439
Au
16
Si
8
-88.715
440
Au
16
Si
8
-87.958
441
Au
16
Si
8
-87.966
442
Au
16
Si
8
-87.575
443
Au
16
Si
8
-87.563
444
Au
16
Si
8
-88.719
445
Au
16
Si
8
-87.952
446
Au
16
Si
8
-87.561
447
Au
16
Si
8
-87.949
448
Au
16
Si
8
-87.571
449
Au
16
Si
8
-87.556
450
Au
16
Si
8
-87.937
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