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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 1776-18 out of 18
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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
✕
1776
Au
10
Si
4
0.001
1777
Au
10
Si
4
0.001
1778
Au
10
Si
4
0.001
1779
Au
10
Si
4
0.001
1780
Au
10
Si
4
0.001
1781
Au
10
Si
4
0.001
1782
Au
10
Si
4
0.000
1783
Au
10
Si
4
0.001
1784
Au
10
Si
4
0.000
1785
Au
10
Si
4
0.001
1786
Au
10
Si
4
0.000
1787
Au
10
Si
4
0.000
1788
Au
10
Si
4
0.000
1789
Au
10
Si
4
0.000
1790
Au
10
Si
4
0.001
1791
Au
10
Si
4
0.001
1792
Au
10
Si
4
0.001
1793
Au
10
Si
4
0.001
1794
Au
10
Si
4
0.000
1795
Au
10
Si
4
0.001
1796
Au
10
Si
4
0.000
1797
Au
10
Si
4
0.000
1798
Au
10
Si
4
0.001
1799
Au
10
Si
4
0.001
1800
Au
10
Si
4
0.001
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