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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 876-31 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)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
876
Au
8
Si
4
0.000
877
Au
8
Si
4
0.001
878
Au
8
Si
4
0.001
879
Au
8
Si
4
0.001
880
Au
8
Si
4
0.001
881
Au
8
Si
4
0.001
882
Au
8
Si
4
0.001
883
Au
8
Si
4
0.001
884
Au
8
Si
4
0.001
885
Au
8
Si
4
0.001
886
Au
8
Si
4
0.001
887
Au
8
Si
4
0.001
888
Au
8
Si
4
0.001
889
Au
8
Si
4
0.001
890
Au
8
Si
4
0.001
891
Au
8
Si
4
0.001
892
Au
8
Si
4
0.001
893
Au
8
Si
4
0.001
894
Au
8
Si
4
0.013
895
Au
8
Si
4
0.001
896
Au
8
Si
4
0.001
897
Au
8
Si
4
0.001
898
Au
8
Si
4
0.001
899
Au
8
Si
4
0.001
900
Au
8
Si
4
0.001
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