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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 1776-0 out of 0
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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
✕
1776
Au
10
Si
4
-50.029
1777
Au
10
Si
4
-50.036
1778
Au
10
Si
4
-50.032
1779
Au
10
Si
4
-50.034
1780
Au
10
Si
4
-50.019
1781
Au
10
Si
4
-50.360
1782
Au
10
Si
4
-50.360
1783
Au
10
Si
4
-50.356
1784
Au
10
Si
4
-50.366
1785
Au
10
Si
4
-50.370
1786
Au
10
Si
4
-50.354
1787
Au
10
Si
4
-50.358
1788
Au
10
Si
4
-50.348
1789
Au
10
Si
4
-50.362
1790
Au
10
Si
4
-50.360
1791
Au
10
Si
4
-50.378
1792
Au
10
Si
4
-50.379
1793
Au
10
Si
4
-50.356
1794
Au
10
Si
4
-50.348
1795
Au
10
Si
4
-50.372
1796
Au
10
Si
4
-50.374
1797
Au
10
Si
4
-50.362
1798
Au
10
Si
4
-50.368
1799
Au
10
Si
4
-50.376
1800
Au
10
Si
4
-50.364
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