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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 801-17 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)
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
50
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200
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ID
✕
Formula
✕
Maximum force
✕
801
Au
8
Si
4
0.009
802
Au
8
Si
4
0.009
803
Au
8
Si
4
0.007
804
Au
8
Si
4
0.006
805
Au
10
Si
4
0.023
806
Au
16
Si
8
0.009
807
Au
16
Si
8
0.007
808
Au
16
Si
8
0.008
809
Au
16
Si
8
0.008
810
Au
16
Si
8
0.007
811
Au
16
Si
8
0.008
812
Au
16
Si
8
0.009
813
Au
16
Si
8
0.008
814
Au
16
Si
8
0.008
815
Au
16
Si
8
0.008
816
Au
16
Si
8
0.007
817
Au
16
Si
8
0.007
818
Au
8
Si
4
0.009
819
Au
8
Si
4
0.008
820
Au
8
Si
4
0.010
821
Au
8
Si
4
0.009
822
Au
8
Si
4
0.008
823
Au
8
Si
4
0.020
824
Au
8
Si
4
0.010
825
Au
8
Si
4
0.017
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