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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 776-517 out of 517
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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)
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
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ID
✕
Formula
✕
Maximum force
✕
776
Au
8
Si
4
0.007
777
Au
8
Si
4
0.009
778
Au
8
Si
4
0.009
779
Au
8
Si
4
0.008
780
Au
8
Si
4
0.010
781
Au
8
Si
4
0.007
782
Au
8
Si
4
0.010
783
Au
8
Si
4
0.007
784
Au
8
Si
4
0.009
785
Au
8
Si
4
0.010
786
Au
8
Si
4
0.007
787
Au
8
Si
4
0.008
788
Au
8
Si
4
0.009
789
Au
8
Si
4
0.008
790
Au
8
Si
4
0.006
791
Au
8
Si
4
0.009
792
Au
8
Si
4
0.009
793
Au
8
Si
4
0.010
794
Au
8
Si
4
0.010
795
Au
8
Si
4
0.010
796
Au
8
Si
4
0.009
797
Au
8
Si
4
0.010
798
Au
8
Si
4
0.008
799
Au
8
Si
4
0.008
800
Au
8
Si
4
0.006
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