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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 926-18 out of 18
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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)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
↓
ID
✕
Formula
✕
Maximum stress
✕
926
Au
8
Si
4
0.001
927
Au
8
Si
4
0.001
928
Au
8
Si
4
0.001
929
Au
8
Si
4
0.001
930
Au
8
Si
4
0.001
931
Au
8
Si
4
0.001
932
Au
8
Si
4
0.001
933
Au
8
Si
4
0.001
934
Au
8
Si
4
0.001
935
Au
8
Si
4
0.001
936
Au
8
Si
4
0.001
937
Au
8
Si
4
0.001
938
Au
8
Si
4
0.001
939
Au
8
Si
4
0.001
940
Au
8
Si
4
0.001
941
Au
8
Si
4
0.000
942
Au
8
Si
4
0.001
943
Au
8
Si
4
0.001
944
Au
8
Si
4
0.001
945
Au
8
Si
4
0.001
946
Au
8
Si
4
0.001
947
Au
8
Si
4
0.001
948
Au
8
Si
4
0.001
949
Au
8
Si
4
0.001
950
Au
8
Si
4
0.001
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