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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 1851-17 out of 17
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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
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
1851
Au
10
Si
4
0.001
1852
Au
10
Si
4
0.000
1853
Au
10
Si
4
0.001
1854
Au
10
Si
4
0.000
1855
Au
10
Si
4
0.000
1856
Au
10
Si
4
0.001
1857
Au
10
Si
4
0.001
1858
Au
10
Si
4
0.001
1859
Au
10
Si
4
0.000
1860
Au
10
Si
4
0.000
1861
Au
10
Si
4
0.001
1862
Au
10
Si
4
0.001
1863
Au
10
Si
4
0.000
1864
Au
10
Si
4
0.001
1865
Au
10
Si
4
0.000
1866
Au
10
Si
4
0.001
1867
Au
10
Si
4
0.000
1868
Au
10
Si
4
0.000
1869
Au
10
Si
4
0.000
1870
Au
10
Si
4
0.001
1871
Au
10
Si
4
0.001
1872
Au
10
Si
4
0.001
1873
Au
10
Si
4
0.001
1874
Au
10
Si
4
0.001
1875
Au
10
Si
4
0.001
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