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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 751-17 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
✕
751
Au
8
Si
4
-43.736
752
Au
8
Si
4
-43.740
753
Au
8
Si
4
-43.737
754
Au
8
Si
4
-43.739
755
Au
8
Si
4
-43.738
756
Au
8
Si
4
-43.756
757
Au
8
Si
4
-43.754
758
Au
8
Si
4
-43.756
759
Au
8
Si
4
-43.752
760
Au
8
Si
4
-43.757
761
Au
8
Si
4
-43.754
762
Au
8
Si
4
-43.756
763
Au
8
Si
4
-43.755
764
Au
8
Si
4
-43.752
765
Au
8
Si
4
-43.756
766
Au
8
Si
4
-43.755
767
Au
8
Si
4
-43.724
768
Au
8
Si
4
-43.749
769
Au
8
Si
4
-43.753
770
Au
8
Si
4
-43.753
771
Au
8
Si
4
-43.756
772
Au
8
Si
4
-43.756
773
Au
8
Si
4
-43.752
774
Au
8
Si
4
-43.755
775
Au
8
Si
4
-43.756
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