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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 176-18 out of 18
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
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200
↓
ID
✕
Formula
✕
Charge
✕
176
Au
8
Si
4
0.000
177
Au
8
Si
4
0.000
178
Au
8
Si
4
0.000
179
Au
8
Si
4
0.000
180
Au
8
Si
4
0.000
181
Au
8
Si
4
0.000
182
Au
8
Si
4
0.000
183
Au
8
Si
4
0.000
184
Au
8
Si
4
0.000
185
Au
8
Si
4
0.000
186
Au
8
Si
4
0.000
187
Au
8
Si
4
0.000
188
Au
8
Si
4
0.000
189
Au
8
Si
4
0.000
190
Au
8
Si
4
0.000
191
Au
8
Si
4
0.000
192
Au
8
Si
4
0.000
193
Au
8
Si
4
0.000
194
Au
8
Si
4
0.000
195
Au
8
Si
4
0.000
196
Au
8
Si
4
0.000
197
Au
8
Si
4
0.000
198
Au
8
Si
4
0.000
199
Au
8
Si
4
0.000
200
Au
8
Si
4
0.000
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