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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
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Mass
✕
Username
✕
E
✕
2101
Au
14
Si
8
2982.212
yangxb
0.290
2102
Au
14
Si
8
2982.212
yangxb
0.290
2103
Au
14
Si
8
2982.212
yangxb
0.290
2104
Au
14
Si
8
2982.212
yangxb
0.290
2105
Au
14
Si
8
2982.212
yangxb
0.290
2106
Au
14
Si
8
2982.212
yangxb
0.290
2107
Au
14
Si
8
2982.212
yangxb
0.290
2108
Au
14
Si
8
2982.212
yangxb
0.290
2109
Au
14
Si
8
2982.212
yangxb
0.290
2110
Au
14
Si
8
2982.212
yangxb
0.290
2111
Au
14
Si
8
2982.212
yangxb
0.290
2112
Au
14
Si
8
2982.212
yangxb
0.290
2113
Au
14
Si
8
2982.212
yangxb
0.290
2114
Au
14
Si
8
2982.212
yangxb
0.290
2115
Au
14
Si
8
2982.212
yangxb
0.290
2116
Au
14
Si
8
2982.212
yangxb
0.290
2117
Au
14
Si
8
2982.212
yangxb
0.290
2118
Au
14
Si
8
2982.212
yangxb
0.290
2119
Au
14
Si
8
2982.212
yangxb
0.290
2120
Au
14
Si
8
2982.212
yangxb
0.290
2121
Au
14
Si
8
2982.212
yangxb
0.290
2122
Au
14
Si
8
2982.212
yangxb
0.290
2123
Au
14
Si
8
2982.212
yangxb
0.290
2124
Au
14
Si
8
2982.212
yangxb
0.290
2125
Au
14
Si
8
2982.212
yangxb
0.290
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