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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 851-31 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
✕
851
Au
8
Si
4
-44.348
852
Au
8
Si
4
-44.355
853
Au
8
Si
4
-43.772
854
Au
8
Si
4
-44.347
855
Au
8
Si
4
-44.358
856
Au
8
Si
4
-44.351
857
Au
8
Si
4
-44.358
858
Au
8
Si
4
-44.362
859
Au
8
Si
4
-44.346
860
Au
8
Si
4
-44.355
861
Au
8
Si
4
-44.354
862
Au
8
Si
4
-44.351
863
Au
8
Si
4
-44.344
864
Au
8
Si
4
-44.354
865
Au
8
Si
4
-43.789
866
Au
8
Si
4
-44.341
867
Au
8
Si
4
-44.349
868
Au
8
Si
4
-44.339
869
Au
8
Si
4
-44.353
870
Au
8
Si
4
-43.775
871
Au
8
Si
4
-44.330
872
Au
8
Si
4
-44.342
873
Au
8
Si
4
-44.344
874
Au
8
Si
4
-44.340
875
Au
8
Si
4
-44.331
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