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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 926-594 out of 594
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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
✕
926
Au
8
Si
4
0.005
927
Au
8
Si
4
0.008
928
Au
8
Si
4
0.047
929
Au
8
Si
4
0.014
930
Au
8
Si
4
0.009
931
Au
8
Si
4
0.005
932
Au
8
Si
4
0.008
933
Au
8
Si
4
0.040
934
Au
8
Si
4
0.007
935
Au
8
Si
4
0.008
936
Au
8
Si
4
0.017
937
Au
8
Si
4
0.010
938
Au
8
Si
4
0.011
939
Au
8
Si
4
0.008
940
Au
8
Si
4
0.026
941
Au
8
Si
4
0.012
942
Au
8
Si
4
0.010
943
Au
8
Si
4
0.032
944
Au
8
Si
4
0.010
945
Au
8
Si
4
0.045
946
Au
8
Si
4
0.009
947
Au
8
Si
4
0.007
948
Au
8
Si
4
0.010
949
Au
8
Si
4
0.006
950
Au
8
Si
4
0.038
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