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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 776-17 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)
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
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ID
✕
Formula
✕
Mass
✕
776
Au
8
Si
4
1688.073
777
Au
8
Si
4
1688.073
778
Au
8
Si
4
1688.073
779
Au
8
Si
4
1688.073
780
Au
8
Si
4
1688.073
781
Au
8
Si
4
1688.073
782
Au
8
Si
4
1688.073
783
Au
8
Si
4
1688.073
784
Au
8
Si
4
1688.073
785
Au
8
Si
4
1688.073
786
Au
8
Si
4
1688.073
787
Au
8
Si
4
1688.073
788
Au
8
Si
4
1688.073
789
Au
8
Si
4
1688.073
790
Au
8
Si
4
1688.073
791
Au
8
Si
4
1688.073
792
Au
8
Si
4
1688.073
793
Au
8
Si
4
1688.073
794
Au
8
Si
4
1688.073
795
Au
8
Si
4
1688.073
796
Au
8
Si
4
1688.073
797
Au
8
Si
4
1688.073
798
Au
8
Si
4
1688.073
799
Au
8
Si
4
1688.073
800
Au
8
Si
4
1688.073
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