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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 2076-8 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
✕
2076
Au
16
Si
8
0.000
2077
Au
16
Si
8
0.000
2078
Au
16
Si
8
0.000
2079
Au
16
Si
8
0.000
2080
Au
16
Si
8
0.000
2081
Au
20
Si
8
0.000
2082
Au
14
Si
8
0.000
2083
Au
14
Si
8
0.000
2084
Au
14
Si
8
0.000
2085
Au
14
Si
8
0.000
2086
Au
14
Si
8
0.000
2087
Au
14
Si
8
0.000
2088
Au
14
Si
8
0.000
2089
Au
14
Si
8
0.000
2090
Au
14
Si
8
0.000
2091
Au
14
Si
8
0.000
2092
Au
14
Si
8
0.000
2093
Au
14
Si
8
0.000
2094
Au
14
Si
8
0.000
2095
Au
14
Si
8
0.000
2096
Au
14
Si
8
0.000
2097
Au
14
Si
8
0.000
2098
Au
14
Si
8
0.000
2099
Au
14
Si
8
0.000
2100
Au
14
Si
8
0.000
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