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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 1026-31 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)
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
✕
1026
Au
8
Si
4
-44.351
1027
Au
8
Si
4
-44.331
1028
Au
8
Si
4
-43.776
1029
Au
8
Si
4
-44.333
1030
Au
8
Si
4
-43.787
1031
Au
8
Si
4
-44.360
1032
Au
8
Si
4
-44.347
1033
Au
8
Si
4
-43.785
1034
Au
8
Si
4
-44.353
1035
Au
8
Si
4
-43.782
1036
Au
8
Si
4
-44.357
1037
Au
8
Si
4
-43.784
1038
Au
8
Si
4
-44.350
1039
Au
8
Si
4
-44.355
1040
Au
8
Si
4
-43.796
1041
Au
8
Si
4
-44.329
1042
Au
8
Si
4
-43.279
1043
Au
8
Si
4
-44.344
1044
Au
8
Si
4
-44.353
1045
Au
8
Si
4
-44.338
1046
Au
8
Si
4
-44.327
1047
Au
8
Si
4
-44.355
1048
Au
8
Si
4
-44.318
1049
Au
8
Si
4
-44.345
1050
Au
8
Si
4
-43.796
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