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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 1351-414 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)
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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100
200
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ID
✕
Formula
✕
Energy
✕
1351
Au
8
Si
4
-43.790
1352
Au
8
Si
4
-44.325
1353
Au
8
Si
4
-44.339
1354
Au
8
Si
4
-44.349
1355
Au
8
Si
4
-43.785
1356
Au
8
Si
4
-43.792
1357
Au
8
Si
4
-43.796
1358
Au
8
Si
4
-44.332
1359
Au
8
Si
4
-44.351
1360
Au
8
Si
4
-43.779
1361
Au
8
Si
4
-43.785
1362
Au
8
Si
4
-43.782
1363
Au
8
Si
4
-43.780
1364
Au
8
Si
4
-44.324
1365
Au
8
Si
4
-44.352
1366
Au
8
Si
4
-43.786
1367
Au
8
Si
4
-43.761
1368
Au
8
Si
4
-44.335
1369
Au
8
Si
4
-44.335
1370
Au
8
Si
4
-43.799
1371
Au
8
Si
4
-44.347
1372
Au
8
Si
4
-44.343
1373
Au
8
Si
4
-44.347
1374
Au
8
Si
4
-43.787
1375
Au
8
Si
4
-43.794
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