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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 2151-8 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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
PBC
✕
2151
Au
10
Si
4
1721.671
TTT
2152
Au
10
Si
4
1721.882
TTT
2153
Au
10
Si
4
1721.904
TTT
2154
Au
10
Si
4
1721.627
TTT
2155
Au
10
Si
4
1722.046
TTT
2156
Au
10
Si
4
1721.545
TTT
2157
Au
10
Si
4
1721.455
TTT
2158
Au
10
Si
4
1721.988
TTT
2159
Au
10
Si
4
1722.266
TTT
2160
Au
10
Si
4
1721.661
TTT
2161
Au
10
Si
4
1721.817
TTT
2162
Au
10
Si
4
1721.781
TTT
2163
Au
10
Si
4
1721.511
TTT
2164
Au
10
Si
4
1722.128
TTT
2165
Au
20
Si
8
3441.466
TTT
2166
Au
20
Si
8
3442.059
TTT
2167
Au
20
Si
8
3441.406
TTT
2168
Au
20
Si
8
3441.087
TTT
2169
Au
20
Si
8
3442.423
TTT
2170
Au
20
Si
8
3441.220
TTT
2171
Au
20
Si
8
3442.681
TTT
2172
Au
20
Si
8
3442.024
TTT
2173
Au
20
Si
8
3442.666
TTT
2174
Au
20
Si
8
3441.932
TTT
2175
Au
20
Si
8
3442.444
TTT
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