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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 1801-414 out of 414
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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
✕
1801
Au
10
Si
4
-50.361
1802
Au
10
Si
4
-50.353
1803
Au
10
Si
4
-50.369
1804
Au
10
Si
4
-50.357
1805
Au
10
Si
4
-50.370
1806
Au
10
Si
4
-50.355
1807
Au
10
Si
4
-50.365
1808
Au
10
Si
4
-50.366
1809
Au
10
Si
4
-50.369
1810
Au
10
Si
4
-50.355
1811
Au
10
Si
4
-50.358
1812
Au
10
Si
4
-50.358
1813
Au
10
Si
4
-50.360
1814
Au
10
Si
4
-50.377
1815
Au
10
Si
4
-50.351
1816
Au
10
Si
4
-50.379
1817
Au
10
Si
4
-50.358
1818
Au
10
Si
4
-50.376
1819
Au
10
Si
4
-50.373
1820
Au
10
Si
4
-50.368
1821
Au
10
Si
4
-50.362
1822
Au
10
Si
4
-50.371
1823
Au
10
Si
4
-50.356
1824
Au
10
Si
4
-50.358
1825
Au
10
Si
4
-50.359
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