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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 1376-8 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)
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
50
100
200
↓
ID
✕
Formula
✕
Maximum force
✕
1376
Au
8
Si
4
0.008
1377
Au
8
Si
4
0.015
1378
Au
8
Si
4
0.141
1379
Au
8
Si
4
0.025
1380
Au
8
Si
4
0.009
1381
Au
8
Si
4
0.030
1382
Au
8
Si
4
0.015
1383
Au
8
Si
4
0.007
1384
Au
8
Si
4
0.005
1385
Au
8
Si
4
0.010
1386
Au
8
Si
4
0.010
1387
Au
8
Si
4
0.141
1388
Au
8
Si
4
0.008
1389
Au
8
Si
4
0.024
1390
Au
8
Si
4
0.015
1391
Au
8
Si
4
0.021
1392
Au
8
Si
4
0.013
1393
Au
8
Si
4
0.015
1394
Au
8
Si
4
0.011
1395
Au
8
Si
4
0.009
1396
Au
8
Si
4
0.032
1397
Au
8
Si
4
0.007
1398
Au
8
Si
4
0.039
1399
Au
8
Si
4
0.009
1400
Au
8
Si
4
0.011
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