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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 1351-8 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
✕
1351
Au
8
Si
4
0.018
1352
Au
8
Si
4
0.046
1353
Au
8
Si
4
0.010
1354
Au
8
Si
4
0.008
1355
Au
8
Si
4
0.013
1356
Au
8
Si
4
0.008
1357
Au
8
Si
4
0.005
1358
Au
8
Si
4
0.011
1359
Au
8
Si
4
0.008
1360
Au
8
Si
4
0.130
1361
Au
8
Si
4
0.034
1362
Au
8
Si
4
0.002
1363
Au
8
Si
4
0.038
1364
Au
8
Si
4
0.026
1365
Au
8
Si
4
0.014
1366
Au
8
Si
4
0.037
1367
Au
8
Si
4
0.141
1368
Au
8
Si
4
0.008
1369
Au
8
Si
4
0.010
1370
Au
8
Si
4
0.010
1371
Au
8
Si
4
0.013
1372
Au
8
Si
4
0.016
1373
Au
8
Si
4
0.009
1374
Au
8
Si
4
0.005
1375
Au
8
Si
4
0.010
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