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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 2026-8 out of 8
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Au_rate
E
Si_rate
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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Age
✕
2026
Au
10
Si
4
46M
2027
Au
10
Si
4
46M
2028
Au
10
Si
4
46M
2029
Au
10
Si
4
46M
2030
Au
10
Si
4
46M
2031
Au
10
Si
4
46M
2032
Au
10
Si
4
46M
2033
Au
10
Si
4
46M
2034
Au
10
Si
4
46M
2035
Au
10
Si
4
46M
2036
Au
10
Si
4
46M
2037
Au
10
Si
4
46M
2038
Au
10
Si
4
46M
2039
Au
10
Si
4
46M
2040
Au
10
Si
4
46M
2041
Au
10
Si
4
46M
2042
Au
10
Si
4
46M
2043
Au
10
Si
4
46M
2044
Au
10
Si
4
46M
2045
Au
10
Si
4
46M
2046
Au
10
Si
4
46M
2047
Au
10
Si
4
46M
2048
Au
10
Si
4
46M
2049
Au
10
Si
4
46M
2050
Au
10
Si
4
46M
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