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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 176-31 out of 31
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Au_rate
E
Si_rate
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)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Maximum force
✕
Maximum stress
✕
176
0.007
0.001
177
0.009
0.001
178
0.017
0.001
179
0.012
0.001
180
0.068
0.001
181
0.007
0.001
182
0.015
0.001
183
0.396
0.001
184
0.011
0.001
185
0.009
0.001
186
0.010
0.000
187
0.015
0.001
188
0.065
0.001
189
0.016
0.001
190
0.012
0.001
191
0.009
0.001
192
0.034
0.001
193
0.020
0.001
194
0.014
0.001
195
0.009
0.001
196
0.008
0.001
197
0.043
0.001
198
0.010
0.001
199
0.008
0.001
200
0.008
0.001
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