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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)
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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
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200
↓
ID
✕
Formula
✕
Charge
✕
751
Au
8
Si
4
0.000
752
Au
8
Si
4
0.000
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
0.000
757
Au
8
Si
4
0.000
758
Au
8
Si
4
0.000
759
Au
8
Si
4
0.000
760
Au
8
Si
4
0.000
761
Au
8
Si
4
0.000
762
Au
8
Si
4
0.000
763
Au
8
Si
4
0.000
764
Au
8
Si
4
0.000
765
Au
8
Si
4
0.000
766
Au
8
Si
4
0.000
767
Au
8
Si
4
0.000
768
Au
8
Si
4
0.000
769
Au
8
Si
4
0.000
770
Au
8
Si
4
0.000
771
Au
8
Si
4
0.000
772
Au
8
Si
4
0.000
773
Au
8
Si
4
0.000
774
Au
8
Si
4
0.000
775
Au
8
Si
4
0.000
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