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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 226-250 out of 594
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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
✕
226
Au
8
Si
4
0.001
227
Au
8
Si
4
0.001
228
Au
8
Si
4
0.001
229
Au
8
Si
4
0.001
230
Au
8
Si
4
0.001
231
Au
8
Si
4
0.001
232
Au
8
Si
4
0.001
233
Au
8
Si
4
0.001
234
Au
8
Si
4
0.001
235
Au
8
Si
4
0.001
236
Au
8
Si
4
0.001
237
Au
8
Si
4
0.001
238
Au
8
Si
4
0.001
239
Au
8
Si
4
0.001
240
Au
8
Si
4
0.001
241
Au
8
Si
4
0.001
242
Au
8
Si
4
0.001
243
Au
8
Si
4
0.001
244
Au
8
Si
4
0.001
245
Au
8
Si
4
0.001
246
Au
8
Si
4
0.001
247
Au
8
Si
4
0.001
248
Au
8
Si
4
0.001
249
Au
8
Si
4
0.001
250
Au
8
Si
4
0.001
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