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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 751-17 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)
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
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200
↓
ID
✕
Formula
✕
Maximum stress
✕
751
Au
8
Si
4
0.000
752
Au
8
Si
4
0.001
753
Au
8
Si
4
0.000
754
Au
8
Si
4
0.000
755
Au
8
Si
4
0.000
756
Au
8
Si
4
0.001
757
Au
8
Si
4
0.001
758
Au
8
Si
4
0.001
759
Au
8
Si
4
0.001
760
Au
8
Si
4
0.001
761
Au
8
Si
4
0.001
762
Au
8
Si
4
0.001
763
Au
8
Si
4
0.001
764
Au
8
Si
4
0.001
765
Au
8
Si
4
0.001
766
Au
8
Si
4
0.001
767
Au
8
Si
4
0.001
768
Au
8
Si
4
0.001
769
Au
8
Si
4
0.001
770
Au
8
Si
4
0.001
771
Au
8
Si
4
0.001
772
Au
8
Si
4
0.001
773
Au
8
Si
4
0.001
774
Au
8
Si
4
0.001
775
Au
8
Si
4
0.001
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