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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 2101-17 out of 17
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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)
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
↓
ID
✕
Formula
✕
Maximum force
✕
2101
Au
14
Si
8
0.003
2102
Au
14
Si
8
0.010
2103
Au
14
Si
8
0.008
2104
Au
14
Si
8
0.005
2105
Au
14
Si
8
0.007
2106
Au
14
Si
8
0.007
2107
Au
14
Si
8
0.003
2108
Au
14
Si
8
0.009
2109
Au
14
Si
8
0.009
2110
Au
14
Si
8
0.003
2111
Au
14
Si
8
0.006
2112
Au
14
Si
8
0.009
2113
Au
14
Si
8
0.005
2114
Au
14
Si
8
0.009
2115
Au
14
Si
8
0.007
2116
Au
14
Si
8
0.007
2117
Au
14
Si
8
0.008
2118
Au
14
Si
8
0.006
2119
Au
14
Si
8
0.006
2120
Au
14
Si
8
0.008
2121
Au
14
Si
8
0.004
2122
Au
14
Si
8
0.009
2123
Au
14
Si
8
0.006
2124
Au
14
Si
8
0.008
2125
Au
14
Si
8
0.006
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