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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 676-17 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)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
↓
ID
✕
Formula
✕
Maximum stress
✕
676
Au
16
Si
8
0.001
677
Au
16
Si
8
0.001
678
Au
16
Si
8
0.001
679
Au
16
Si
8
0.001
680
Au
16
Si
8
0.001
681
Au
16
Si
8
0.001
682
Au
16
Si
8
0.001
683
Au
16
Si
8
0.001
684
Au
16
Si
8
0.001
685
Au
16
Si
8
0.001
686
Au
16
Si
8
0.001
687
Au
16
Si
8
0.001
688
Au
16
Si
8
0.001
689
Au
16
Si
8
0.001
690
Au
16
Si
8
0.001
691
Au
16
Si
8
0.001
692
Au
16
Si
8
0.001
693
Au
16
Si
8
0.001
694
Au
16
Si
8
0.001
695
Au
16
Si
8
0.001
696
Au
16
Si
8
0.001
697
Au
16
Si
8
0.001
698
Au
16
Si
8
0.001
699
Au
16
Si
8
0.001
700
Au
16
Si
8
0.001
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