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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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Formula
✕
Maximum stress
✕
1376
Au
8
Si
4
0.001
1377
Au
8
Si
4
0.001
1378
Au
8
Si
4
0.001
1379
Au
8
Si
4
0.001
1380
Au
8
Si
4
0.001
1381
Au
8
Si
4
0.001
1382
Au
8
Si
4
0.001
1383
Au
8
Si
4
0.001
1384
Au
8
Si
4
0.001
1385
Au
8
Si
4
0.001
1386
Au
8
Si
4
0.001
1387
Au
8
Si
4
0.001
1388
Au
8
Si
4
0.001
1389
Au
8
Si
4
0.001
1390
Au
8
Si
4
0.001
1391
Au
8
Si
4
0.000
1392
Au
8
Si
4
0.001
1393
Au
8
Si
4
0.001
1394
Au
8
Si
4
0.001
1395
Au
8
Si
4
0.001
1396
Au
8
Si
4
0.001
1397
Au
8
Si
4
0.001
1398
Au
8
Si
4
0.001
1399
Au
8
Si
4
0.001
1400
Au
8
Si
4
0.001
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