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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 851-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
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
✕
Mass
✕
851
Au
8
Si
4
1688.073
852
Au
8
Si
4
1688.073
853
Au
8
Si
4
1688.073
854
Au
8
Si
4
1688.073
855
Au
8
Si
4
1688.073
856
Au
8
Si
4
1688.073
857
Au
8
Si
4
1688.073
858
Au
8
Si
4
1688.073
859
Au
8
Si
4
1688.073
860
Au
8
Si
4
1688.073
861
Au
8
Si
4
1688.073
862
Au
8
Si
4
1688.073
863
Au
8
Si
4
1688.073
864
Au
8
Si
4
1688.073
865
Au
8
Si
4
1688.073
866
Au
8
Si
4
1688.073
867
Au
8
Si
4
1688.073
868
Au
8
Si
4
1688.073
869
Au
8
Si
4
1688.073
870
Au
8
Si
4
1688.073
871
Au
8
Si
4
1688.073
872
Au
8
Si
4
1688.073
873
Au
8
Si
4
1688.073
874
Au
8
Si
4
1688.073
875
Au
8
Si
4
1688.073
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