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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 976-1000 out of 2180
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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)
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
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200
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ID
✕
Formula
✕
Maximum force
✕
976
Au
8
Si
4
0.007
977
Au
8
Si
4
0.008
978
Au
8
Si
4
0.009
979
Au
8
Si
4
0.006
980
Au
8
Si
4
0.016
981
Au
8
Si
4
0.021
982
Au
8
Si
4
0.019
983
Au
8
Si
4
0.038
984
Au
8
Si
4
0.009
985
Au
8
Si
4
0.006
986
Au
8
Si
4
0.008
987
Au
8
Si
4
0.018
988
Au
8
Si
4
0.009
989
Au
8
Si
4
0.007
990
Au
8
Si
4
0.009
991
Au
8
Si
4
0.022
992
Au
8
Si
4
0.011
993
Au
8
Si
4
0.004
994
Au
8
Si
4
0.010
995
Au
8
Si
4
0.586
996
Au
8
Si
4
0.008
997
Au
8
Si
4
0.005
998
Au
8
Si
4
0.006
999
Au
8
Si
4
0.014
1000
Au
8
Si
4
0.006
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