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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)
Total energy (energy)
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
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ID
✕
Formula
✕
2101
Au
14
Si
8
2102
Au
14
Si
8
2103
Au
14
Si
8
2104
Au
14
Si
8
2105
Au
14
Si
8
2106
Au
14
Si
8
2107
Au
14
Si
8
2108
Au
14
Si
8
2109
Au
14
Si
8
2110
Au
14
Si
8
2111
Au
14
Si
8
2112
Au
14
Si
8
2113
Au
14
Si
8
2114
Au
14
Si
8
2115
Au
14
Si
8
2116
Au
14
Si
8
2117
Au
14
Si
8
2118
Au
14
Si
8
2119
Au
14
Si
8
2120
Au
14
Si
8
2121
Au
14
Si
8
2122
Au
14
Si
8
2123
Au
14
Si
8
2124
Au
14
Si
8
2125
Au
14
Si
8
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