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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 226-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
226
Au
8
Si
4
-44.355
227
Au
8
Si
4
-43.794
228
Au
8
Si
4
-43.746
229
Au
8
Si
4
-43.978
230
Au
8
Si
4
-44.348
231
Au
8
Si
4
-44.356
232
Au
8
Si
4
-44.352
233
Au
8
Si
4
-44.341
234
Au
8
Si
4
-43.795
235
Au
8
Si
4
-44.343
236
Au
8
Si
4
-44.358
237
Au
8
Si
4
-43.753
238
Au
8
Si
4
-43.785
239
Au
8
Si
4
-44.327
240
Au
8
Si
4
-44.350
241
Au
8
Si
4
-44.327
242
Au
8
Si
4
-43.775
243
Au
8
Si
4
-44.339
244
Au
8
Si
4
-43.753
245
Au
8
Si
4
-44.346
246
Au
8
Si
4
-43.984
247
Au
8
Si
4
-44.341
248
Au
8
Si
4
-43.798
249
Au
8
Si
4
-44.356
250
Au
8
Si
4
-44.339
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