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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)
Total energy (energy)
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
✕
Maximum force
✕
1801
Au
10
Si
4
0.009
1802
Au
10
Si
4
0.009
1803
Au
10
Si
4
0.006
1804
Au
10
Si
4
0.009
1805
Au
10
Si
4
0.008
1806
Au
10
Si
4
0.008
1807
Au
10
Si
4
0.010
1808
Au
10
Si
4
0.011
1809
Au
10
Si
4
0.007
1810
Au
10
Si
4
0.007
1811
Au
10
Si
4
0.008
1812
Au
10
Si
4
0.008
1813
Au
10
Si
4
0.007
1814
Au
10
Si
4
0.007
1815
Au
10
Si
4
0.006
1816
Au
10
Si
4
0.008
1817
Au
10
Si
4
0.009
1818
Au
10
Si
4
0.010
1819
Au
10
Si
4
0.010
1820
Au
10
Si
4
0.007
1821
Au
10
Si
4
0.008
1822
Au
10
Si
4
0.009
1823
Au
10
Si
4
0.010
1824
Au
10
Si
4
0.010
1825
Au
10
Si
4
0.008
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