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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 1801-8 out of 8
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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
✕
1801
Au
10
Si
4
0.000
1802
Au
10
Si
4
0.000
1803
Au
10
Si
4
0.001
1804
Au
10
Si
4
0.000
1805
Au
10
Si
4
0.000
1806
Au
10
Si
4
0.000
1807
Au
10
Si
4
0.000
1808
Au
10
Si
4
0.001
1809
Au
10
Si
4
0.001
1810
Au
10
Si
4
0.001
1811
Au
10
Si
4
0.000
1812
Au
10
Si
4
0.000
1813
Au
10
Si
4
0.000
1814
Au
10
Si
4
0.001
1815
Au
10
Si
4
0.000
1816
Au
10
Si
4
0.001
1817
Au
10
Si
4
0.000
1818
Au
10
Si
4
0.001
1819
Au
10
Si
4
0.001
1820
Au
10
Si
4
0.001
1821
Au
10
Si
4
0.001
1822
Au
10
Si
4
0.001
1823
Au
10
Si
4
0.000
1824
Au
10
Si
4
0.001
1825
Au
10
Si
4
0.000
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