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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 1826-17 out of 17
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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
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200
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ID
✕
Formula
✕
Calculator
✕
1826
Au
10
Si
4
vasp
1827
Au
10
Si
4
vasp
1828
Au
10
Si
4
vasp
1829
Au
10
Si
4
vasp
1830
Au
10
Si
4
vasp
1831
Au
10
Si
4
vasp
1832
Au
10
Si
4
vasp
1833
Au
10
Si
4
vasp
1834
Au
10
Si
4
vasp
1835
Au
10
Si
4
vasp
1836
Au
10
Si
4
vasp
1837
Au
10
Si
4
vasp
1838
Au
10
Si
4
vasp
1839
Au
10
Si
4
vasp
1840
Au
10
Si
4
vasp
1841
Au
10
Si
4
vasp
1842
Au
10
Si
4
vasp
1843
Au
10
Si
4
vasp
1844
Au
10
Si
4
vasp
1845
Au
10
Si
4
vasp
1846
Au
10
Si
4
vasp
1847
Au
10
Si
4
vasp
1848
Au
10
Si
4
vasp
1849
Au
10
Si
4
vasp
1850
Au
10
Si
4
vasp
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