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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)
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
✕
2151
0.714
0.001
TTT
-50.370
43M
2152
0.714
0.001
TTT
-50.356
43M
2153
0.714
0.001
TTT
-50.367
43M
2154
0.714
0.000
TTT
-50.373
43M
2155
0.714
0.001
TTT
-50.366
43M
2156
0.714
0.000
TTT
-50.376
43M
2157
0.714
0.001
TTT
-50.370
43M
2158
0.714
0.000
TTT
-50.365
43M
2159
0.714
0.001
TTT
-50.372
43M
2160
0.714
0.000
TTT
-50.371
43M
2161
0.714
0.001
TTT
-50.372
43M
2162
0.714
0.001
TTT
-50.373
43M
2163
0.714
0.000
TTT
-50.369
43M
2164
0.714
0.000
TTT
-50.377
43M
2165
0.714
0.001
TTT
-100.823
43M
2166
0.714
0.001
TTT
-100.830
43M
2167
0.714
0.000
TTT
-100.804
43M
2168
0.714
0.000
TTT
-100.818
43M
2169
0.714
0.000
TTT
-100.818
43M
2170
0.714
0.000
TTT
-100.834
43M
2171
0.714
0.001
TTT
-100.829
43M
2172
0.714
0.000
TTT
-100.829
43M
2173
0.714
0.000
TTT
-100.828
43M
2174
0.714
0.000
TTT
-100.815
43M
2175
0.714
0.000
TTT
-100.801
43M
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