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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 726-517 out of 517
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
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200
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ID
✕
Formula
✕
Charge
✕
726
Au
16
Si
8
0.000
727
Au
16
Si
8
0.000
728
Au
16
Si
8
0.000
729
Au
16
Si
8
0.000
730
Au
16
Si
8
0.000
731
Au
16
Si
8
0.000
732
Au
16
Si
8
0.000
733
Au
16
Si
8
0.000
734
Au
16
Si
8
0.000
735
Au
16
Si
8
0.000
736
Au
16
Si
8
0.000
737
Au
16
Si
8
0.000
738
Au
16
Si
8
0.000
739
Au
16
Si
8
0.000
740
Au
16
Si
8
0.000
741
Au
16
Si
8
0.000
742
Au
16
Si
8
0.000
743
Au
16
Si
8
0.000
744
Au
16
Si
8
0.000
745
Au
16
Si
8
0.000
746
Au
20
Si
8
0.000
747
Au
8
Si
4
0.000
748
Au
8
Si
4
0.000
749
Au
8
Si
4
0.000
750
Au
8
Si
4
0.000
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