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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 1376-17 out of 17
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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
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ID
✕
Formula
✕
Volume
✕
1376
Au
8
Si
4
1427.136
1377
Au
8
Si
4
1427.307
1378
Au
8
Si
4
1449.316
1379
Au
8
Si
4
1443.628
1380
Au
8
Si
4
1443.958
1381
Au
8
Si
4
1423.458
1382
Au
8
Si
4
1427.425
1383
Au
8
Si
4
1427.143
1384
Au
8
Si
4
1425.902
1385
Au
8
Si
4
1426.303
1386
Au
8
Si
4
1427.482
1387
Au
8
Si
4
1443.924
1388
Au
8
Si
4
1426.949
1389
Au
8
Si
4
1444.164
1390
Au
8
Si
4
1427.565
1391
Au
8
Si
4
1443.891
1392
Au
8
Si
4
1427.351
1393
Au
8
Si
4
1427.579
1394
Au
8
Si
4
1443.440
1395
Au
8
Si
4
1427.025
1396
Au
8
Si
4
1444.562
1397
Au
8
Si
4
1427.216
1398
Au
8
Si
4
1425.536
1399
Au
8
Si
4
1426.208
1400
Au
8
Si
4
1426.774
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