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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 651-17 out of 17
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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
✕
651
Au
10
Si
4
-50.040
652
Au
10
Si
4
-50.037
653
Au
10
Si
4
-50.047
654
Au
10
Si
4
-50.044
655
Au
10
Si
4
-50.034
656
Au
10
Si
4
-50.029
657
Au
10
Si
4
-50.051
658
Au
10
Si
4
-50.037
659
Au
10
Si
4
-50.050
660
Au
10
Si
4
-50.037
661
Au
10
Si
4
-50.031
662
Au
16
Si
8
-87.965
663
Au
16
Si
8
-87.961
664
Au
16
Si
8
-87.962
665
Au
16
Si
8
-87.957
666
Au
16
Si
8
-87.964
667
Au
16
Si
8
-87.927
668
Au
16
Si
8
-87.954
669
Au
16
Si
8
-87.965
670
Au
16
Si
8
-87.965
671
Au
16
Si
8
-87.970
672
Au
16
Si
8
-87.951
673
Au
16
Si
8
-87.961
674
Au
16
Si
8
-87.969
675
Au
16
Si
8
-87.962
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