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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 551-18 out of 18
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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
✕
551
Au
10
Si
4
-50.041
552
Au
10
Si
4
-50.043
553
Au
10
Si
4
-50.031
554
Au
10
Si
4
-50.040
555
Au
10
Si
4
-50.036
556
Au
10
Si
4
-50.026
557
Au
10
Si
4
-50.034
558
Au
10
Si
4
-50.030
559
Au
10
Si
4
-50.034
560
Au
10
Si
4
-50.027
561
Au
10
Si
4
-50.033
562
Au
10
Si
4
-50.011
563
Au
10
Si
4
-50.023
564
Au
10
Si
4
-50.019
565
Au
10
Si
4
-50.015
566
Au
10
Si
4
-50.040
567
Au
10
Si
4
-50.032
568
Au
10
Si
4
-50.014
569
Au
10
Si
4
-50.033
570
Au
10
Si
4
-50.041
571
Au
10
Si
4
-50.038
572
Au
10
Si
4
-50.037
573
Au
10
Si
4
-50.044
574
Au
10
Si
4
-50.032
575
Au
10
Si
4
-50.017
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