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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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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
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
✕
Au_rate
✕
Maximum force
✕
PBC
✕
Si_rate
✕
E
✕
2101
0.636
0.003
TTT
0.364
0.290
2102
0.636
0.010
TTT
0.364
0.290
2103
0.636
0.008
TTT
0.364
0.290
2104
0.636
0.005
TTT
0.364
0.290
2105
0.636
0.007
TTT
0.364
0.290
2106
0.636
0.007
TTT
0.364
0.290
2107
0.636
0.003
TTT
0.364
0.290
2108
0.636
0.009
TTT
0.364
0.290
2109
0.636
0.009
TTT
0.364
0.290
2110
0.636
0.003
TTT
0.364
0.290
2111
0.636
0.006
TTT
0.364
0.290
2112
0.636
0.009
TTT
0.364
0.290
2113
0.636
0.005
TTT
0.364
0.290
2114
0.636
0.009
TTT
0.364
0.290
2115
0.636
0.007
TTT
0.364
0.290
2116
0.636
0.007
TTT
0.364
0.290
2117
0.636
0.008
TTT
0.364
0.290
2118
0.636
0.006
TTT
0.364
0.290
2119
0.636
0.006
TTT
0.364
0.290
2120
0.636
0.008
TTT
0.364
0.290
2121
0.636
0.004
TTT
0.364
0.290
2122
0.636
0.009
TTT
0.364
0.290
2123
0.636
0.006
TTT
0.364
0.290
2124
0.636
0.008
TTT
0.364
0.290
2125
0.636
0.006
TTT
0.364
0.290
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