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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)
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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
PBC
✕
2126
Au
14
Si
8
TTT
2127
Au
14
Si
8
TTT
2128
Au
10
Si
4
TTT
2129
Au
10
Si
4
TTT
2130
Au
10
Si
4
TTT
2131
Au
10
Si
4
TTT
2132
Au
10
Si
4
TTT
2133
Au
10
Si
4
TTT
2134
Au
10
Si
4
TTT
2135
Au
10
Si
4
TTT
2136
Au
10
Si
4
TTT
2137
Au
10
Si
4
TTT
2138
Au
10
Si
4
TTT
2139
Au
10
Si
4
TTT
2140
Au
10
Si
4
TTT
2141
Au
10
Si
4
TTT
2142
Au
10
Si
4
TTT
2143
Au
10
Si
4
TTT
2144
Au
10
Si
4
TTT
2145
Au
10
Si
4
TTT
2146
Au
10
Si
4
TTT
2147
Au
10
Si
4
TTT
2148
Au
10
Si
4
TTT
2149
Au
10
Si
4
TTT
2150
Au
10
Si
4
TTT
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