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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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E
Si_rate
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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Charge
✕
Mass
✕
Au_rate
✕
PBC
✕
Age
✕
Volume
✕
2151
0.000
17285.869
0.714
TTT
43M
1721.671
2152
0.000
17285.869
0.714
TTT
43M
1721.882
2153
0.000
17285.869
0.714
TTT
43M
1721.904
2154
0.000
17285.869
0.714
TTT
43M
1721.627
2155
0.000
17285.869
0.714
TTT
43M
1722.046
2156
0.000
17285.869
0.714
TTT
43M
1721.545
2157
0.000
17285.869
0.714
TTT
43M
1721.455
2158
0.000
17285.869
0.714
TTT
43M
1721.988
2159
0.000
17285.869
0.714
TTT
43M
1722.266
2160
0.000
17285.869
0.714
TTT
43M
1721.661
2161
0.000
17285.869
0.714
TTT
43M
1721.817
2162
0.000
17285.869
0.714
TTT
43M
1721.781
2163
0.000
17285.869
0.714
TTT
43M
1721.511
2164
0.000
17285.869
0.714
TTT
43M
1722.128
2165
0.000
17285.869
0.714
TTT
43M
3441.466
2166
0.000
17285.869
0.714
TTT
43M
3442.059
2167
0.000
17285.869
0.714
TTT
43M
3441.406
2168
0.000
17285.869
0.714
TTT
43M
3441.087
2169
0.000
17285.869
0.714
TTT
43M
3442.423
2170
0.000
17285.869
0.714
TTT
43M
3441.220
2171
0.000
17285.869
0.714
TTT
43M
3442.681
2172
0.000
17285.869
0.714
TTT
43M
3442.024
2173
0.000
17285.869
0.714
TTT
43M
3442.666
2174
0.000
17285.869
0.714
TTT
43M
3441.932
2175
0.000
17285.869
0.714
TTT
43M
3442.444
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