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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 2126-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
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
✕
Charge
✕
2126
Au
14
Si
8
0.000
2127
Au
14
Si
8
0.000
2128
Au
10
Si
4
0.000
2129
Au
10
Si
4
0.000
2130
Au
10
Si
4
0.000
2131
Au
10
Si
4
0.000
2132
Au
10
Si
4
0.000
2133
Au
10
Si
4
0.000
2134
Au
10
Si
4
0.000
2135
Au
10
Si
4
0.000
2136
Au
10
Si
4
0.000
2137
Au
10
Si
4
0.000
2138
Au
10
Si
4
0.000
2139
Au
10
Si
4
0.000
2140
Au
10
Si
4
0.000
2141
Au
10
Si
4
0.000
2142
Au
10
Si
4
0.000
2143
Au
10
Si
4
0.000
2144
Au
10
Si
4
0.000
2145
Au
10
Si
4
0.000
2146
Au
10
Si
4
0.000
2147
Au
10
Si
4
0.000
2148
Au
10
Si
4
0.000
2149
Au
10
Si
4
0.000
2150
Au
10
Si
4
0.000
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