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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 2001-17 out of 17
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
2001
Au
10
Si
4
0.000
2002
Au
10
Si
4
0.000
2003
Au
10
Si
4
0.000
2004
Au
10
Si
4
0.000
2005
Au
10
Si
4
0.000
2006
Au
10
Si
4
0.000
2007
Au
10
Si
4
0.000
2008
Au
10
Si
4
0.000
2009
Au
10
Si
4
0.000
2010
Au
10
Si
4
0.000
2011
Au
10
Si
4
0.000
2012
Au
10
Si
4
0.000
2013
Au
10
Si
4
0.000
2014
Au
10
Si
4
0.000
2015
Au
10
Si
4
0.000
2016
Au
10
Si
4
0.000
2017
Au
10
Si
4
0.000
2018
Au
10
Si
4
0.000
2019
Au
10
Si
4
0.000
2020
Au
10
Si
4
0.000
2021
Au
10
Si
4
0.000
2022
Au
10
Si
4
0.000
2023
Au
10
Si
4
0.000
2024
Au
10
Si
4
0.000
2025
Au
10
Si
4
0.000
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