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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
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
✕
Energy
✕
Number of atoms
✕
2101
Au
14
Si
8
-81.788
22
2102
Au
14
Si
8
-81.790
22
2103
Au
14
Si
8
-81.790
22
2104
Au
14
Si
8
-81.794
22
2105
Au
14
Si
8
-81.779
22
2106
Au
14
Si
8
-81.780
22
2107
Au
14
Si
8
-81.792
22
2108
Au
14
Si
8
-81.779
22
2109
Au
14
Si
8
-81.779
22
2110
Au
14
Si
8
-81.791
22
2111
Au
14
Si
8
-81.785
22
2112
Au
14
Si
8
-81.780
22
2113
Au
14
Si
8
-81.776
22
2114
Au
14
Si
8
-81.779
22
2115
Au
14
Si
8
-81.791
22
2116
Au
14
Si
8
-81.789
22
2117
Au
14
Si
8
-81.778
22
2118
Au
14
Si
8
-81.788
22
2119
Au
14
Si
8
-81.776
22
2120
Au
14
Si
8
-81.791
22
2121
Au
14
Si
8
-81.792
22
2122
Au
14
Si
8
-81.789
22
2123
Au
14
Si
8
-81.793
22
2124
Au
14
Si
8
-81.790
22
2125
Au
14
Si
8
-81.779
22
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