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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 926-31 out of 31
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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
✕
926
Au
8
Si
4
-43.800
927
Au
8
Si
4
-43.796
928
Au
8
Si
4
-44.325
929
Au
8
Si
4
-44.333
930
Au
8
Si
4
-44.353
931
Au
8
Si
4
-43.795
932
Au
8
Si
4
-44.351
933
Au
8
Si
4
-43.776
934
Au
8
Si
4
-43.776
935
Au
8
Si
4
-44.341
936
Au
8
Si
4
-44.345
937
Au
8
Si
4
-44.349
938
Au
8
Si
4
-43.782
939
Au
8
Si
4
-43.780
940
Au
8
Si
4
-43.793
941
Au
8
Si
4
-44.337
942
Au
8
Si
4
-43.782
943
Au
8
Si
4
-43.777
944
Au
8
Si
4
-44.333
945
Au
8
Si
4
-44.323
946
Au
8
Si
4
-44.344
947
Au
8
Si
4
-44.349
948
Au
8
Si
4
-44.345
949
Au
8
Si
4
-44.337
950
Au
8
Si
4
-44.353
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