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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 1376-517 out of 517
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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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200
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ID
✕
Formula
✕
Energy
✕
1376
Au
8
Si
4
-44.348
1377
Au
8
Si
4
-44.347
1378
Au
8
Si
4
-43.780
1379
Au
8
Si
4
-43.780
1380
Au
8
Si
4
-43.777
1381
Au
8
Si
4
-44.338
1382
Au
8
Si
4
-44.345
1383
Au
8
Si
4
-44.328
1384
Au
8
Si
4
-44.346
1385
Au
8
Si
4
-44.335
1386
Au
8
Si
4
-44.340
1387
Au
8
Si
4
-43.709
1388
Au
8
Si
4
-44.351
1389
Au
8
Si
4
-43.784
1390
Au
8
Si
4
-44.346
1391
Au
8
Si
4
-43.757
1392
Au
8
Si
4
-44.345
1393
Au
8
Si
4
-44.340
1394
Au
8
Si
4
-43.784
1395
Au
8
Si
4
-44.348
1396
Au
8
Si
4
-43.773
1397
Au
8
Si
4
-44.352
1398
Au
8
Si
4
-44.347
1399
Au
8
Si
4
-44.346
1400
Au
8
Si
4
-44.356
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