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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 501-31 out of 31
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
501
Au
16
Si
8
-87.559
502
Au
16
Si
8
-87.558
503
Au
16
Si
8
-88.725
504
Au
16
Si
8
-87.556
505
Au
10
Si
4
-50.037
506
Au
10
Si
4
-50.033
507
Au
10
Si
4
-50.037
508
Au
10
Si
4
-50.040
509
Au
10
Si
4
-50.038
510
Au
10
Si
4
-50.035
511
Au
10
Si
4
-50.025
512
Au
10
Si
4
-50.029
513
Au
10
Si
4
-50.033
514
Au
10
Si
4
-50.020
515
Au
10
Si
4
-50.027
516
Au
10
Si
4
-50.036
517
Au
10
Si
4
-50.039
518
Au
10
Si
4
-50.031
519
Au
10
Si
4
-50.037
520
Au
10
Si
4
-50.030
521
Au
10
Si
4
-50.037
522
Au
10
Si
4
-50.033
523
Au
10
Si
4
-50.040
524
Au
10
Si
4
-50.036
525
Au
10
Si
4
-50.016
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