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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 276-8 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)
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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
276
Au
8
Si
4
1437.985
277
Au
8
Si
4
1426.289
278
Au
8
Si
4
1438.392
279
Au
8
Si
4
1424.607
280
Au
8
Si
4
1438.419
281
Au
8
Si
4
1443.601
282
Au
8
Si
4
1438.473
283
Au
8
Si
4
1425.439
284
Au
8
Si
4
1438.465
285
Au
8
Si
4
1426.571
286
Au
8
Si
4
1425.996
287
Au
8
Si
4
1426.753
288
Au
8
Si
4
1441.103
289
Au
8
Si
4
1426.610
290
Au
8
Si
4
1425.939
291
Au
8
Si
4
1438.017
292
Au
8
Si
4
1425.669
293
Au
8
Si
4
1438.255
294
Au
8
Si
4
1426.534
295
Au
8
Si
4
1425.838
296
Au
8
Si
4
1441.111
297
Au
8
Si
4
1442.788
298
Au
8
Si
4
1426.295
299
Au
8
Si
4
1443.799
300
Au
8
Si
4
1426.773
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