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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 501-414 out of 414
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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
↓
ID
✕
Formula
✕
Volume
✕
501
Au
16
Si
8
2888.951
502
Au
16
Si
8
2887.497
503
Au
16
Si
8
2852.688
504
Au
16
Si
8
2888.316
505
Au
10
Si
4
1716.509
506
Au
10
Si
4
1717.173
507
Au
10
Si
4
1716.446
508
Au
10
Si
4
1715.550
509
Au
10
Si
4
1716.853
510
Au
10
Si
4
1717.182
511
Au
10
Si
4
1716.524
512
Au
10
Si
4
1716.562
513
Au
10
Si
4
1716.502
514
Au
10
Si
4
1717.128
515
Au
10
Si
4
1716.986
516
Au
10
Si
4
1716.864
517
Au
10
Si
4
1716.233
518
Au
10
Si
4
1716.910
519
Au
10
Si
4
1716.484
520
Au
10
Si
4
1716.476
521
Au
10
Si
4
1716.875
522
Au
10
Si
4
1717.132
523
Au
10
Si
4
1716.338
524
Au
10
Si
4
1717.162
525
Au
10
Si
4
1717.300
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