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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 1951-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
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
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ID
✕
Formula
✕
Calculator
✕
1951
Au
16
Si
8
vasp
1952
Au
16
Si
8
vasp
1953
Au
14
Si
8
vasp
1954
Au
16
Si
8
vasp
1955
Au
16
Si
8
vasp
1956
Au
16
Si
8
vasp
1957
Au
16
Si
8
vasp
1958
Au
16
Si
8
vasp
1959
Au
16
Si
8
vasp
1960
Au
16
Si
8
vasp
1961
Au
16
Si
8
vasp
1962
Au
16
Si
8
vasp
1963
Au
16
Si
8
vasp
1964
Au
16
Si
8
vasp
1965
Au
16
Si
8
vasp
1966
Au
16
Si
8
vasp
1967
Au
16
Si
8
vasp
1968
Au
16
Si
8
vasp
1969
Au
16
Si
8
vasp
1970
Au
16
Si
8
vasp
1971
Au
16
Si
8
vasp
1972
Au
16
Si
8
vasp
1973
Au
16
Si
8
vasp
1974
Au
16
Si
8
vasp
1975
Au
16
Si
8
vasp
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