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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 901-414 out of 414
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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
✕
901
Au
8
Si
4
0.008
902
Au
8
Si
4
0.009
903
Au
8
Si
4
0.019
904
Au
8
Si
4
0.034
905
Au
8
Si
4
0.017
906
Au
8
Si
4
0.016
907
Au
8
Si
4
0.008
908
Au
8
Si
4
0.007
909
Au
8
Si
4
0.008
910
Au
8
Si
4
0.007
911
Au
8
Si
4
0.005
912
Au
8
Si
4
0.005
913
Au
8
Si
4
0.007
914
Au
8
Si
4
0.009
915
Au
8
Si
4
0.015
916
Au
8
Si
4
0.005
917
Au
8
Si
4
0.058
918
Au
8
Si
4
0.013
919
Au
8
Si
4
0.031
920
Au
8
Si
4
0.007
921
Au
8
Si
4
0.009
922
Au
8
Si
4
0.004
923
Au
8
Si
4
0.009
924
Au
8
Si
4
0.007
925
Au
8
Si
4
0.006
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