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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 876-17 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
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ID
✕
Formula
✕
Energy
✕
876
Au
8
Si
4
-43.777
877
Au
8
Si
4
-44.352
878
Au
8
Si
4
-44.349
879
Au
8
Si
4
-44.337
880
Au
8
Si
4
-44.351
881
Au
8
Si
4
-43.796
882
Au
8
Si
4
-44.345
883
Au
8
Si
4
-44.350
884
Au
8
Si
4
-44.337
885
Au
8
Si
4
-44.350
886
Au
8
Si
4
-44.334
887
Au
8
Si
4
-44.345
888
Au
8
Si
4
-43.779
889
Au
8
Si
4
-43.775
890
Au
8
Si
4
-44.344
891
Au
8
Si
4
-44.338
892
Au
8
Si
4
-44.341
893
Au
8
Si
4
-44.348
894
Au
8
Si
4
-42.202
895
Au
8
Si
4
-43.797
896
Au
8
Si
4
-44.347
897
Au
8
Si
4
-44.335
898
Au
8
Si
4
-43.788
899
Au
8
Si
4
-44.336
900
Au
8
Si
4
-44.349
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