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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
Si_rate
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Maximum force (fmax)
Magnetic moment (magmom)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Age
✕
PBC
✕
E
✕
Energy
✕
Mass
✕
Number of atoms
✕
2051
Au
10
Si
4
43M
TTT
0.260
-50.034
2082.006
14
2052
Au
10
Si
4
43M
TTT
0.260
-50.032
2082.006
14
2053
Au
10
Si
4
43M
TTT
0.260
-50.035
2082.006
14
2054
Au
10
Si
4
43M
TTT
0.260
-50.044
2082.006
14
2055
Au
10
Si
4
43M
TTT
0.261
-50.030
2082.006
14
2056
Au
10
Si
4
43M
TTT
0.260
-50.032
2082.006
14
2057
Au
10
Si
4
43M
TTT
0.260
-50.041
2082.006
14
2058
Au
10
Si
4
43M
TTT
0.260
-50.036
2082.006
14
2059
Au
10
Si
4
43M
TTT
0.261
-50.025
2082.006
14
2060
Au
10
Si
4
43M
TTT
0.260
-50.035
2082.006
14
2061
Au
10
Si
4
43M
TTT
0.261
-50.022
2082.006
14
2062
Au
10
Si
4
43M
TTT
0.260
-50.034
2082.006
14
2063
Au
10
Si
4
43M
TTT
0.261
-50.021
2082.006
14
2064
Au
10
Si
4
43M
TTT
0.259
-50.045
2082.006
14
2065
Au
10
Si
4
43M
TTT
0.260
-50.032
2082.006
14
2066
Au
10
Si
4
43M
TTT
0.261
-50.021
2082.006
14
2067
Au
10
Si
4
43M
TTT
0.260
-50.039
2082.006
14
2068
Au
10
Si
4
43M
TTT
0.259
-50.050
2082.006
14
2069
Au
10
Si
4
43M
TTT
0.261
-50.029
2082.006
14
2070
Au
10
Si
4
43M
TTT
0.260
-50.042
2082.006
14
2071
Au
16
Si
8
43M
TTT
0.275
-87.954
3376.145
24
2072
Au
16
Si
8
43M
TTT
0.276
-87.947
3376.145
24
2073
Au
16
Si
8
43M
TTT
0.276
-87.950
3376.145
24
2074
Au
16
Si
8
43M
TTT
0.275
-87.953
3376.145
24
2075
Au
16
Si
8
43M
TTT
0.276
-87.948
3376.145
24
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