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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)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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
✕
Energy
✕
1826
Au
10
Si
4
-50.363
1827
Au
10
Si
4
-50.358
1828
Au
10
Si
4
-50.377
1829
Au
10
Si
4
-50.367
1830
Au
10
Si
4
-50.344
1831
Au
10
Si
4
-50.377
1832
Au
10
Si
4
-50.353
1833
Au
10
Si
4
-50.357
1834
Au
10
Si
4
-50.360
1835
Au
10
Si
4
-50.367
1836
Au
10
Si
4
-50.360
1837
Au
10
Si
4
-50.370
1838
Au
10
Si
4
-50.362
1839
Au
10
Si
4
-50.372
1840
Au
10
Si
4
-50.366
1841
Au
10
Si
4
-50.352
1842
Au
10
Si
4
-50.352
1843
Au
10
Si
4
-50.350
1844
Au
10
Si
4
-50.367
1845
Au
10
Si
4
-50.366
1846
Au
10
Si
4
-50.365
1847
Au
10
Si
4
-50.372
1848
Au
10
Si
4
-50.373
1849
Au
10
Si
4
-50.344
1850
Au
10
Si
4
-50.366
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