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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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E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
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
✕
Charge
✕
Mass
✕
Au_rate
✕
PBC
✕
2101
0.000
17285.869
0.636
TTT
2102
0.000
17285.869
0.636
TTT
2103
0.000
17285.869
0.636
TTT
2104
0.000
17285.869
0.636
TTT
2105
0.000
17285.869
0.636
TTT
2106
0.000
17285.869
0.636
TTT
2107
0.000
17285.869
0.636
TTT
2108
0.000
17285.869
0.636
TTT
2109
0.000
17285.869
0.636
TTT
2110
0.000
17285.869
0.636
TTT
2111
0.000
17285.869
0.636
TTT
2112
0.000
17285.869
0.636
TTT
2113
0.000
17285.869
0.636
TTT
2114
0.000
17285.869
0.636
TTT
2115
0.000
17285.869
0.636
TTT
2116
0.000
17285.869
0.636
TTT
2117
0.000
17285.869
0.636
TTT
2118
0.000
17285.869
0.636
TTT
2119
0.000
17285.869
0.636
TTT
2120
0.000
17285.869
0.636
TTT
2121
0.000
17285.869
0.636
TTT
2122
0.000
17285.869
0.636
TTT
2123
0.000
17285.869
0.636
TTT
2124
0.000
17285.869
0.636
TTT
2125
0.000
17285.869
0.636
TTT
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