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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 726-414 out of 414
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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
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ID
✕
Formula
✕
Energy
✕
726
Au
16
Si
8
-87.961
727
Au
16
Si
8
-87.960
728
Au
16
Si
8
-87.963
729
Au
16
Si
8
-87.961
730
Au
16
Si
8
-87.956
731
Au
16
Si
8
-87.951
732
Au
16
Si
8
-87.963
733
Au
16
Si
8
-87.956
734
Au
16
Si
8
-87.955
735
Au
16
Si
8
-87.961
736
Au
16
Si
8
-87.948
737
Au
16
Si
8
-87.918
738
Au
16
Si
8
-87.956
739
Au
16
Si
8
-87.947
740
Au
16
Si
8
-87.966
741
Au
16
Si
8
-87.950
742
Au
16
Si
8
-87.973
743
Au
16
Si
8
-87.965
744
Au
16
Si
8
-87.947
745
Au
16
Si
8
-87.972
746
Au
20
Si
8
-100.053
747
Au
8
Si
4
-43.734
748
Au
8
Si
4
-43.738
749
Au
8
Si
4
-43.730
750
Au
8
Si
4
-43.737
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