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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
ASE-calculator name (calculator)
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
↓
ID
✕
Formula
✕
Age
✕
Charge
✕
2101
Au
14
Si
8
43M
0.000
2102
Au
14
Si
8
43M
0.000
2103
Au
14
Si
8
43M
0.000
2104
Au
14
Si
8
43M
0.000
2105
Au
14
Si
8
43M
0.000
2106
Au
14
Si
8
43M
0.000
2107
Au
14
Si
8
43M
0.000
2108
Au
14
Si
8
43M
0.000
2109
Au
14
Si
8
43M
0.000
2110
Au
14
Si
8
43M
0.000
2111
Au
14
Si
8
43M
0.000
2112
Au
14
Si
8
43M
0.000
2113
Au
14
Si
8
43M
0.000
2114
Au
14
Si
8
43M
0.000
2115
Au
14
Si
8
43M
0.000
2116
Au
14
Si
8
43M
0.000
2117
Au
14
Si
8
43M
0.000
2118
Au
14
Si
8
43M
0.000
2119
Au
14
Si
8
43M
0.000
2120
Au
14
Si
8
43M
0.000
2121
Au
14
Si
8
43M
0.000
2122
Au
14
Si
8
43M
0.000
2123
Au
14
Si
8
43M
0.000
2124
Au
14
Si
8
43M
0.000
2125
Au
14
Si
8
43M
0.000
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