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ASE database
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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 2101-8 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)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
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
✕
2101
Au
14
Si
8
43M
TTT
0.290
-81.788
2102
Au
14
Si
8
43M
TTT
0.290
-81.790
2103
Au
14
Si
8
43M
TTT
0.290
-81.790
2104
Au
14
Si
8
43M
TTT
0.290
-81.794
2105
Au
14
Si
8
43M
TTT
0.290
-81.779
2106
Au
14
Si
8
43M
TTT
0.290
-81.780
2107
Au
14
Si
8
43M
TTT
0.290
-81.792
2108
Au
14
Si
8
43M
TTT
0.290
-81.779
2109
Au
14
Si
8
43M
TTT
0.290
-81.779
2110
Au
14
Si
8
43M
TTT
0.290
-81.791
2111
Au
14
Si
8
43M
TTT
0.290
-81.785
2112
Au
14
Si
8
43M
TTT
0.290
-81.780
2113
Au
14
Si
8
43M
TTT
0.290
-81.776
2114
Au
14
Si
8
43M
TTT
0.290
-81.779
2115
Au
14
Si
8
43M
TTT
0.290
-81.791
2116
Au
14
Si
8
43M
TTT
0.290
-81.789
2117
Au
14
Si
8
43M
TTT
0.290
-81.778
2118
Au
14
Si
8
43M
TTT
0.290
-81.788
2119
Au
14
Si
8
43M
TTT
0.290
-81.776
2120
Au
14
Si
8
43M
TTT
0.290
-81.791
2121
Au
14
Si
8
43M
TTT
0.290
-81.792
2122
Au
14
Si
8
43M
TTT
0.290
-81.789
2123
Au
14
Si
8
43M
TTT
0.290
-81.793
2124
Au
14
Si
8
43M
TTT
0.290
-81.790
2125
Au
14
Si
8
43M
TTT
0.290
-81.779
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