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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 1651-18 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)
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
✕
1651
Au
10
Si
4
-50.036
1652
Au
10
Si
4
-50.027
1653
Au
10
Si
4
-50.031
1654
Au
10
Si
4
-50.036
1655
Au
10
Si
4
-50.030
1656
Au
10
Si
4
-50.030
1657
Au
10
Si
4
-50.018
1658
Au
10
Si
4
-50.042
1659
Au
10
Si
4
-50.032
1660
Au
10
Si
4
-50.021
1661
Au
10
Si
4
-50.030
1662
Au
10
Si
4
-50.036
1663
Au
10
Si
4
-50.032
1664
Au
10
Si
4
-50.029
1665
Au
10
Si
4
-50.036
1666
Au
10
Si
4
-50.024
1667
Au
10
Si
4
-50.020
1668
Au
10
Si
4
-50.039
1669
Au
10
Si
4
-50.023
1670
Au
10
Si
4
-50.026
1671
Au
10
Si
4
-50.037
1672
Au
10
Si
4
-50.034
1673
Au
10
Si
4
-50.039
1674
Au
10
Si
4
-50.040
1675
Au
10
Si
4
-50.021
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