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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 1926-17 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
✕
1926
Au
10
Si
4
-50.373
1927
Au
10
Si
4
-50.375
1928
Au
10
Si
4
-50.367
1929
Au
10
Si
4
-50.364
1930
Au
10
Si
4
-50.371
1931
Au
10
Si
4
-50.370
1932
Au
10
Si
4
-50.372
1933
Au
10
Si
4
-50.361
1934
Au
10
Si
4
-50.352
1935
Au
10
Si
4
-50.368
1936
Au
10
Si
4
-50.368
1937
Au
10
Si
4
-50.376
1938
Au
10
Si
4
-50.362
1939
Au
10
Si
4
-50.363
1940
Au
10
Si
4
-50.365
1941
Au
10
Si
4
-50.369
1942
Au
10
Si
4
-50.374
1943
Au
10
Si
4
-50.358
1944
Au
10
Si
4
-50.366
1945
Au
10
Si
4
-50.367
1946
Au
10
Si
4
-50.362
1947
Au
10
Si
4
-50.365
1948
Au
10
Si
4
-50.364
1949
Au
10
Si
4
-50.361
1950
Au
10
Si
4
-50.361
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