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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 2051-8 out of 8
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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)
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
✕
Number of atoms
✕
Energy
✕
2051
Au
10
Si
4
14
-50.034
2052
Au
10
Si
4
14
-50.032
2053
Au
10
Si
4
14
-50.035
2054
Au
10
Si
4
14
-50.044
2055
Au
10
Si
4
14
-50.030
2056
Au
10
Si
4
14
-50.032
2057
Au
10
Si
4
14
-50.041
2058
Au
10
Si
4
14
-50.036
2059
Au
10
Si
4
14
-50.025
2060
Au
10
Si
4
14
-50.035
2061
Au
10
Si
4
14
-50.022
2062
Au
10
Si
4
14
-50.034
2063
Au
10
Si
4
14
-50.021
2064
Au
10
Si
4
14
-50.045
2065
Au
10
Si
4
14
-50.032
2066
Au
10
Si
4
14
-50.021
2067
Au
10
Si
4
14
-50.039
2068
Au
10
Si
4
14
-50.050
2069
Au
10
Si
4
14
-50.029
2070
Au
10
Si
4
14
-50.042
2071
Au
16
Si
8
24
-87.954
2072
Au
16
Si
8
24
-87.947
2073
Au
16
Si
8
24
-87.950
2074
Au
16
Si
8
24
-87.953
2075
Au
16
Si
8
24
-87.948
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