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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 576-18 out of 18
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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
✕
576
Au
10
Si
4
-50.025
577
Au
10
Si
4
-50.021
578
Au
10
Si
4
-50.036
579
Au
10
Si
4
-50.045
580
Au
10
Si
4
-50.017
581
Au
10
Si
4
-50.025
582
Au
10
Si
4
-50.038
583
Au
10
Si
4
-50.026
584
Au
10
Si
4
-50.038
585
Au
10
Si
4
-50.032
586
Au
10
Si
4
-50.039
587
Au
10
Si
4
-50.038
588
Au
10
Si
4
-50.035
589
Au
10
Si
4
-50.035
590
Au
10
Si
4
-50.036
591
Au
10
Si
4
-50.016
592
Au
10
Si
4
-50.022
593
Au
10
Si
4
-50.046
594
Au
10
Si
4
-50.017
595
Au
10
Si
4
-50.037
596
Au
10
Si
4
-50.033
597
Au
10
Si
4
-50.017
598
Au
10
Si
4
-50.018
599
Au
8
Si
4
-43.756
600
Au
8
Si
4
-43.779
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