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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 176-200 out of 414
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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)
Maximum force (fmax)
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
↓
ID
✕
Formula
✕
Maximum stress
✕
176
Au
8
Si
4
0.001
177
Au
8
Si
4
0.001
178
Au
8
Si
4
0.001
179
Au
8
Si
4
0.001
180
Au
8
Si
4
0.001
181
Au
8
Si
4
0.001
182
Au
8
Si
4
0.001
183
Au
8
Si
4
0.001
184
Au
8
Si
4
0.001
185
Au
8
Si
4
0.001
186
Au
8
Si
4
0.000
187
Au
8
Si
4
0.001
188
Au
8
Si
4
0.001
189
Au
8
Si
4
0.001
190
Au
8
Si
4
0.001
191
Au
8
Si
4
0.001
192
Au
8
Si
4
0.001
193
Au
8
Si
4
0.001
194
Au
8
Si
4
0.001
195
Au
8
Si
4
0.001
196
Au
8
Si
4
0.001
197
Au
8
Si
4
0.001
198
Au
8
Si
4
0.001
199
Au
8
Si
4
0.001
200
Au
8
Si
4
0.001
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