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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 851-31 out of 31
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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)
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
✕
Maximum force
✕
851
Au
8
Si
4
0.009
852
Au
8
Si
4
0.009
853
Au
8
Si
4
0.007
854
Au
8
Si
4
0.008
855
Au
8
Si
4
0.006
856
Au
8
Si
4
0.007
857
Au
8
Si
4
0.031
858
Au
8
Si
4
0.031
859
Au
8
Si
4
0.006
860
Au
8
Si
4
0.006
861
Au
8
Si
4
0.006
862
Au
8
Si
4
0.009
863
Au
8
Si
4
0.007
864
Au
8
Si
4
0.036
865
Au
8
Si
4
0.022
866
Au
8
Si
4
0.008
867
Au
8
Si
4
0.007
868
Au
8
Si
4
0.009
869
Au
8
Si
4
0.028
870
Au
8
Si
4
0.006
871
Au
8
Si
4
0.009
872
Au
8
Si
4
0.008
873
Au
8
Si
4
0.006
874
Au
8
Si
4
0.013
875
Au
8
Si
4
0.023
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