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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 976-8 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)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
↓
ID
✕
Formula
✕
Maximum stress
✕
976
Au
8
Si
4
0.001
977
Au
8
Si
4
0.001
978
Au
8
Si
4
0.001
979
Au
8
Si
4
0.001
980
Au
8
Si
4
0.001
981
Au
8
Si
4
0.001
982
Au
8
Si
4
0.001
983
Au
8
Si
4
0.001
984
Au
8
Si
4
0.001
985
Au
8
Si
4
0.001
986
Au
8
Si
4
0.001
987
Au
8
Si
4
0.001
988
Au
8
Si
4
0.001
989
Au
8
Si
4
0.001
990
Au
8
Si
4
0.001
991
Au
8
Si
4
0.001
992
Au
8
Si
4
0.001
993
Au
8
Si
4
0.001
994
Au
8
Si
4
0.001
995
Au
8
Si
4
0.001
996
Au
8
Si
4
0.001
997
Au
8
Si
4
0.001
998
Au
8
Si
4
0.001
999
Au
8
Si
4
0.001
1000
Au
8
Si
4
0.001
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