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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
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Au_rate
✕
Maximum stress
✕
PBC
✕
Energy
✕
Age
✕
2101
0.636
0.001
TTT
-81.788
43M
2102
0.636
0.001
TTT
-81.790
43M
2103
0.636
0.001
TTT
-81.790
43M
2104
0.636
0.001
TTT
-81.794
43M
2105
0.636
0.001
TTT
-81.779
43M
2106
0.636
0.001
TTT
-81.780
43M
2107
0.636
0.001
TTT
-81.792
43M
2108
0.636
0.001
TTT
-81.779
43M
2109
0.636
0.001
TTT
-81.779
43M
2110
0.636
0.001
TTT
-81.791
43M
2111
0.636
0.001
TTT
-81.785
43M
2112
0.636
0.001
TTT
-81.780
43M
2113
0.636
0.001
TTT
-81.776
43M
2114
0.636
0.001
TTT
-81.779
43M
2115
0.636
0.001
TTT
-81.791
43M
2116
0.636
0.001
TTT
-81.789
43M
2117
0.636
0.001
TTT
-81.778
43M
2118
0.636
0.001
TTT
-81.788
43M
2119
0.636
0.001
TTT
-81.776
43M
2120
0.636
0.001
TTT
-81.791
43M
2121
0.636
0.001
TTT
-81.792
43M
2122
0.636
0.000
TTT
-81.789
43M
2123
0.636
0.001
TTT
-81.793
43M
2124
0.636
0.001
TTT
-81.790
43M
2125
0.636
0.001
TTT
-81.779
43M
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